#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1r n LYS 2 N 0.00 0.00 -2.57 0.03 0.00 -1.26 -4.79 118.16 109.57 3i1r n LYS 2 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 3i1r n LYS 2 Cb 0.00 -0.42 -0.02 0.00 -0.00 0.00 0.00 35.03 34.59 3i1r n LYS 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3i1r s THR 3 N -0.19 4.52 0.00 0.58 -4.23 -1.26 -4.97 115.64 110.09 3i1r s THR 3 Ca 0.26 1.82 0.00 0.00 -1.18 0.00 0.00 61.69 62.59 3i1r s THR 3 Cb -0.37 -4.17 0.00 0.00 1.34 0.00 0.00 72.50 69.30 3i1r s THR 3 CO 0.19 -0.04 0.00 0.33 -0.54 0.00 0.00 174.62 174.56 3i1r n PHE 4 N 5.44 0.00 -3.39 3.99 -0.00 -1.26 -5.03 117.46 117.21 3i1r n PHE 4 Ca 0.11 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.48 3i1r n PHE 4 Cb 0.47 0.00 -0.08 0.00 -0.00 0.00 0.00 39.48 39.87 3i1r n PHE 4 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 3i1r s THR 5 N 0.00 -0.65 0.31 -2.13 2.01 -1.26 -4.84 115.64 109.08 3i1r s THR 5 Ca 0.00 -0.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.69 3i1r s THR 5 Cb 0.00 -0.80 -0.12 0.00 0.01 0.00 0.00 72.50 71.59 3i1r s THR 5 CO 0.00 -0.07 1.45 0.00 -0.69 0.00 0.00 174.62 175.30 3i1r n ALA 6 N 5.38 1.85 -3.25 7.40 0.00 -1.26 -4.95 120.51 125.68 3i1r n ALA 6 Ca -0.04 0.37 -0.32 0.00 0.00 0.00 0.00 53.44 53.45 3i1r n ALA 6 Cb 0.50 -2.35 -0.17 0.00 0.00 0.00 0.00 19.45 17.43 3i1r n ALA 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3i1r s LYS 7 N -1.22 3.07 0.63 0.00 -2.85 -1.26 -4.83 119.74 113.27 3i1r s LYS 7 Ca 0.60 -0.87 0.24 0.00 -1.00 0.00 0.00 55.97 54.94 3i1r s LYS 7 Cb -0.54 -2.33 1.16 0.00 -2.06 0.00 0.00 37.83 34.05 3i1r s LYS 7 CO 0.56 0.16 1.63 -1.35 0.10 0.00 0.00 175.35 176.45 3i1r h PRO 8 N 6.77 0.00 -0.74 1.78 0.11 -1.97 -0.50 132.00 137.45 3i1r h PRO 8 Ca -0.21 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.60 3i1r h PRO 8 Cb 1.23 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.16 3i1r h PRO 8 CO 0.48 0.00 0.33 -1.91 -0.21 0.00 0.00 178.00 176.70 3i1r n GLU 9 N -3.19 2.84 0.00 1.05 4.07 -1.26 -4.21 120.64 119.95 3i1r n GLU 9 Ca 0.07 -3.07 0.00 0.00 -0.06 0.00 0.00 57.16 54.11 3i1r n GLU 9 Cb 0.83 -2.11 0.00 0.00 -0.06 0.00 0.00 31.44 30.10 3i1r n GLU 9 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3i1r n THR 10 N -0.69 0.00 -1.54 6.31 -2.24 -0.20 -5.12 114.28 110.79 3i1r n THR 10 Ca 0.45 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.87 3i1r n THR 10 Cb 1.40 0.61 0.09 0.00 -2.10 0.00 0.00 70.33 70.33 3i1r n THR 10 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i1r s VAL 11 N 0.00 2.03 -0.23 2.28 1.01 -1.22 -4.95 120.40 119.32 3i1r s VAL 11 Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 3i1r s VAL 11 Cb 0.00 -2.82 -0.17 0.00 0.00 0.00 0.00 36.38 33.38 3i1r s VAL 11 CO 0.00 -0.01 -0.06 1.17 0.00 0.00 0.00 175.10 176.20 3i1r n LYS 12 N -2.35 0.63 0.00 2.72 4.81 -1.26 -5.04 118.16 117.67 3i1r n LYS 12 Ca 0.15 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 3i1r n LYS 12 Cb 0.49 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 33.94 3i1r n LYS 12 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3i1r n ARG 13 N -3.90 0.00 0.00 1.64 5.12 -1.26 -5.01 116.66 113.25 3i1r n ARG 13 Ca -0.43 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.49 3i1r n ARG 13 Cb 0.90 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.20 3i1r n ARG 13 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3i1r n ASP 14 N 9.38 0.00 -4.45 0.55 10.43 -1.26 -4.56 116.55 126.64 3i1r n ASP 14 Ca 0.00 0.00 -0.33 0.00 2.57 0.00 0.00 54.79 57.03 3i1r n ASP 14 Cb 0.00 0.00 -0.13 0.00 1.84 0.00 0.00 41.12 42.83 3i1r n ASP 14 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 3i1r s TRP 15 N -1.88 2.75 0.10 1.24 0.52 -1.26 -0.79 118.94 119.61 3i1r s TRP 15 Ca 0.00 -0.31 0.02 0.00 0.02 0.00 0.00 56.10 55.84 3i1r s TRP 15 Cb 0.00 -1.70 -0.04 0.00 -1.15 0.00 0.00 33.47 30.58 3i1r s TRP 15 CO 0.00 0.06 -0.08 0.71 0.02 0.00 0.00 176.95 177.67 3i1r s TYR 16 N -0.38 0.92 -0.10 -1.98 1.51 -0.44 -0.71 117.35 116.17 3i1r s TYR 16 Ca 0.04 -0.82 0.03 0.00 -1.01 0.00 0.00 57.07 55.31 3i1r s TYR 16 Cb -0.12 -0.52 0.01 0.00 -0.11 0.00 0.00 41.96 41.21 3i1r s TYR 16 CO 0.02 -0.10 -0.18 0.08 -1.11 0.00 0.00 175.55 174.26 3i1r s VAL 17 N -3.18 1.65 -0.04 0.71 1.01 0.29 -0.34 120.40 120.50 3i1r s VAL 17 Ca 0.09 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.37 3i1r s VAL 17 Cb 0.02 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 3i1r s VAL 17 CO -0.03 0.47 -0.23 -0.69 0.00 0.00 0.00 175.10 174.62 3i1r s VAL 18 N 0.71 1.90 -0.68 2.92 1.01 0.18 -1.69 120.40 124.75 3i1r s VAL 18 Ca -0.12 -1.00 -0.18 0.00 0.00 0.00 0.00 61.98 60.68 3i1r s VAL 18 Cb -0.16 -1.60 0.13 0.00 0.00 0.00 0.00 36.38 34.75 3i1r s VAL 18 CO 0.03 0.53 0.78 -0.62 0.00 0.00 0.00 175.10 175.82 3i1r s ASP 19 N -0.29 6.34 0.00 3.32 3.68 -1.26 1.00 116.67 129.45 3i1r s ASP 19 Ca 0.01 -1.72 0.00 0.00 2.13 0.00 0.00 52.55 52.97 3i1r s ASP 19 Cb -0.12 -2.30 0.00 0.00 -1.45 0.00 0.00 42.92 39.05 3i1r s ASP 19 CO 0.02 -1.03 0.08 0.00 0.13 0.00 0.00 175.17 174.37 3i1r n ALA 20 N 6.01 1.38 -1.00 3.66 0.00 -0.03 -4.63 120.51 125.90 3i1r n ALA 20 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3i1r n ALA 20 Cb 0.44 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3i1r n ALA 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i1r n THR 21 N -0.01 0.00 1.32 0.00 -1.04 -1.26 -3.19 114.28 110.10 3i1r n THR 21 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 3i1r n THR 21 Cb 0.01 -0.57 0.22 0.00 -1.82 0.00 0.00 70.33 68.17 3i1r n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1r n GLY 22 N 0.00 -0.66 3.77 3.41 0.00 -1.26 -3.53 105.19 106.92 3i1r n GLY 22 Ca 0.00 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 3i1r n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1r s LYS 23 N -2.00 3.56 -0.76 1.61 1.02 -1.19 -4.46 119.74 117.53 3i1r s LYS 23 Ca 0.11 1.84 -0.23 0.00 0.02 0.00 0.00 55.97 57.71 3i1r s LYS 23 Cb 0.05 -2.31 0.07 0.00 -0.52 0.00 0.00 37.83 35.12 3i1r s LYS 23 CO 0.08 -0.73 1.12 -0.08 -0.92 0.00 0.00 175.35 174.82 3i1r s THR 24 N -1.53 4.19 -0.46 2.17 -1.32 -1.26 -1.28 115.64 116.15 3i1r s THR 24 Ca 0.67 -0.39 -0.42 0.00 -1.21 0.00 0.00 61.69 60.34 3i1r s THR 24 Cb -0.30 -4.80 -0.18 0.00 -1.51 0.00 0.00 72.50 65.71 3i1r s THR 24 CO 0.36 -1.62 1.62 -0.11 -2.21 0.00 0.00 174.62 172.66 3i1r n LEU 25 N 8.08 0.98 0.00 9.08 -0.00 -0.58 -0.84 117.00 133.71 3i1r n LEU 25 Ca 0.06 0.94 0.00 0.00 -0.00 0.00 0.00 56.01 57.01 3i1r n LEU 25 Cb 0.47 -0.81 0.00 0.00 -0.00 0.00 0.00 43.42 43.08 3i1r n LEU 25 CO 0.64 -0.75 0.00 0.61 -0.00 0.00 0.00 177.39 177.89 3i1r n GLY 26 N 4.66 2.02 0.07 -3.96 0.00 -1.26 -4.74 105.19 101.98 3i1r n GLY 26 Ca 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.35 3i1r n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1r n ARG 27 N -0.35 0.67 0.07 1.61 1.74 -0.02 -2.32 116.66 118.05 3i1r n ARG 27 Ca 0.00 -0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 56.93 3i1r n ARG 27 Cb 0.00 -1.57 -0.08 0.00 -1.02 0.00 0.00 32.46 29.78 3i1r n ARG 27 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3i1r h LEU 28 N 0.00 -0.18 -0.47 0.55 5.85 -1.78 -3.26 115.31 116.02 3i1r h LEU 28 Ca -0.31 -0.33 0.07 0.00 0.84 0.00 0.00 57.88 58.14 3i1r h LEU 28 Cb 1.74 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 42.73 3i1r h LEU 28 CO 0.02 0.29 -0.49 0.00 -0.34 0.00 0.00 178.44 177.92 3i1r h ALA 29 N -0.00 -0.56 -0.35 1.25 0.00 -1.82 -1.68 119.26 116.10 3i1r h ALA 29 Ca -0.02 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3i1r h ALA 29 Cb 0.50 1.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.28 3i1r h ALA 29 CO 0.04 -0.94 -0.21 2.41 0.00 0.00 0.00 179.25 180.55 3i1r n THR 30 N -5.39 -0.24 -0.01 0.00 -1.04 -0.98 -0.44 114.28 106.18 3i1r n THR 30 Ca -0.01 1.60 0.02 0.00 -2.04 0.00 0.00 64.05 63.61 3i1r n THR 30 Cb 0.35 -2.05 0.35 0.00 -1.82 0.00 0.00 70.33 67.16 3i1r n THR 30 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3i1r h GLU 31 N 0.00 0.56 -0.97 -2.82 4.39 -1.47 -0.27 114.58 113.99 3i1r h GLU 31 Ca 0.06 -0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.76 3i1r h GLU 31 Cb 0.15 -0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 28.62 3i1r h GLU 31 CO -0.33 0.47 0.63 -0.07 -1.16 0.00 0.00 179.01 178.55 3i1r h LEU 32 N 0.55 0.97 -0.28 1.33 3.38 0.17 -2.58 115.31 118.85 3i1r h LEU 32 Ca 0.14 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 3i1r h LEU 32 Cb 0.13 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3i1r h LEU 32 CO -0.01 0.60 -0.09 0.00 0.09 0.00 0.00 178.44 179.03 3i1r h ALA 33 N 1.49 0.39 -0.38 1.53 0.00 -0.07 -0.05 119.26 122.17 3i1r h ALA 33 Ca 0.43 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3i1r h ALA 33 Cb 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3i1r h ALA 33 CO -0.18 0.22 -0.04 0.07 0.00 0.00 0.00 179.25 179.32 3i1r h ARG 34 N 0.31 0.69 -0.29 0.00 0.11 -1.29 0.75 114.38 114.66 3i1r h ARG 34 Ca 0.07 -0.24 -0.04 0.00 0.10 0.00 0.00 59.98 59.87 3i1r h ARG 34 Cb 0.58 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.60 3i1r h ARG 34 CO 0.03 0.82 0.03 0.00 0.10 0.00 0.00 179.97 180.95 3i1r h ARG 35 N 0.50 0.49 -1.33 0.08 3.08 -1.47 0.27 114.38 116.01 3i1r h ARG 35 Ca 0.10 -0.14 0.40 0.00 0.07 0.00 0.00 59.98 60.41 3i1r h ARG 35 Cb 0.53 -0.05 -0.10 0.00 0.08 0.00 0.00 29.97 30.43 3i1r h ARG 35 CO 0.03 0.61 0.90 -0.07 -1.07 0.00 0.00 179.97 180.37 3i1r h LEU 36 N 0.30 0.20 0.00 3.04 4.07 -0.74 -0.47 115.31 121.70 3i1r h LEU 36 Ca 0.09 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.12 3i1r h LEU 36 Cb 0.37 0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.16 3i1r h LEU 36 CO 0.01 -0.05 -1.29 -1.14 -1.08 0.00 0.00 178.44 174.89 3i1r n ARG 37 N -4.45 0.44 -0.68 1.13 0.63 0.24 -3.89 116.66 110.07 3i1r n ARG 37 Ca 0.33 -0.03 0.00 0.00 -0.92 0.00 0.00 57.85 57.23 3i1r n ARG 37 Cb 1.36 -1.62 0.00 0.00 0.45 0.00 0.00 32.46 32.66 3i1r n ARG 37 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i1r n GLY 38 N 1.31 0.67 0.47 5.14 0.00 0.77 -3.88 105.19 109.67 3i1r n GLY 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i1r n GLY 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1r n LYS 39 N -2.64 0.27 -2.56 1.61 4.81 -0.46 -3.17 118.16 116.04 3i1r n LYS 39 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 3i1r n LYS 39 Cb 0.00 -1.13 0.03 0.00 0.02 0.00 0.00 35.03 33.95 3i1r n LYS 39 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 3i1r n HIS 40 N 0.31 1.98 0.00 5.64 1.44 -1.26 -4.91 115.22 118.42 3i1r n HIS 40 Ca 0.00 -2.62 0.00 0.00 -2.01 0.00 0.00 57.72 53.09 3i1r n HIS 40 Cb 0.06 -0.27 0.00 0.00 0.12 0.00 0.00 29.99 29.91 3i1r n HIS 40 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 3i1r n LYS 41 N -0.40 0.00 -1.22 -1.40 2.85 -1.19 -4.94 118.16 111.87 3i1r n LYS 41 Ca 0.21 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.36 3i1r n LYS 41 Cb 0.80 0.00 0.13 0.00 -0.65 0.00 0.00 35.03 35.31 3i1r n LYS 41 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i1r n ALA 42 N -3.00 4.57 -0.34 0.58 0.00 -1.26 -4.68 120.51 116.39 3i1r n ALA 42 Ca 0.00 -3.44 0.27 0.00 0.00 0.00 0.00 53.44 50.27 3i1r n ALA 42 Cb 0.00 -0.58 0.52 0.00 0.00 0.00 0.00 19.45 19.39 3i1r n ALA 42 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3i1r h GLU 43 N 1.49 0.22 0.00 0.00 4.22 -1.90 -3.35 114.58 115.26 3i1r h GLU 43 Ca 0.25 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.68 3i1r h GLU 43 Cb 1.38 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.58 3i1r h GLU 43 CO 0.52 0.14 0.00 0.98 -2.18 0.00 0.00 179.01 178.47 3i1r n TYR 44 N -5.05 0.00 0.00 0.92 4.19 -1.26 -2.94 117.16 113.01 3i1r n TYR 44 Ca 0.34 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.55 3i1r n TYR 44 Cb 1.10 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.93 3i1r n TYR 44 CO 0.00 0.00 0.00 -2.37 0.91 0.00 0.00 176.86 175.40 3i1r n THR 45 N 0.00 0.00 1.29 2.97 5.66 -1.26 -4.05 114.28 118.89 3i1r n THR 45 Ca 0.00 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.05 3i1r n THR 45 Cb 0.00 0.00 0.16 0.00 -1.55 0.00 0.00 70.33 68.94 3i1r n THR 45 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3i1r n PRO 46 N 0.00 1.53 -0.01 1.09 -0.02 -1.15 -2.81 135.00 133.64 3i1r n PRO 46 Ca 0.00 -0.83 0.10 0.00 -2.02 0.00 0.00 63.50 60.75 3i1r n PRO 46 Cb 0.00 -1.21 -0.14 0.00 -0.02 0.00 0.00 33.50 32.13 3i1r n PRO 46 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3i1r n HIS 47 N 0.15 0.00 -4.89 6.00 1.44 -1.26 -4.95 115.22 111.70 3i1r n HIS 47 Ca 0.09 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.47 3i1r n HIS 47 Cb 0.20 -0.29 -0.15 0.00 0.12 0.00 0.00 29.99 29.88 3i1r n HIS 47 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3i1r s VAL 48 N -3.18 2.80 -0.46 0.61 1.01 -1.12 -5.01 120.40 115.04 3i1r s VAL 48 Ca -0.02 -0.75 -0.27 0.00 0.00 0.00 0.00 61.98 60.94 3i1r s VAL 48 Cb 0.13 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 3i1r s VAL 48 CO 0.82 0.53 1.90 -0.62 0.00 0.00 0.00 175.10 177.73 3i1r s ASP 49 N 0.33 5.45 -0.01 3.32 3.68 -1.26 -4.81 116.67 123.37 3i1r s ASP 49 Ca -0.13 0.88 0.19 0.00 2.13 0.00 0.00 52.55 55.62 3i1r s ASP 49 Cb -0.16 -2.52 0.55 0.00 -1.45 0.00 0.00 42.92 39.33 3i1r s ASP 49 CO 0.06 -2.13 1.46 0.35 0.13 0.00 0.00 175.17 175.04 3i1r n THR 50 N 7.40 1.07 -1.76 1.71 -2.24 -1.25 -4.99 114.28 114.22 3i1r n THR 50 Ca 0.24 -1.02 -0.31 0.00 -2.27 0.00 0.00 64.05 60.69 3i1r n THR 50 Cb 0.50 0.47 0.04 0.00 -2.10 0.00 0.00 70.33 69.24 3i1r n THR 50 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3i1r s GLY 51 N -1.01 1.65 0.54 3.38 0.00 -1.25 -4.35 107.32 106.28 3i1r s GLY 51 Ca 0.41 -0.13 -0.03 0.00 0.00 0.00 0.00 44.72 44.97 3i1r s GLY 51 CO 0.27 0.20 0.82 0.99 0.00 0.00 0.00 173.10 175.38 3i1r s ASP 52 N -4.10 5.62 -0.22 1.64 -0.00 -0.97 -4.45 116.67 114.18 3i1r s ASP 52 Ca 0.57 0.51 -0.17 0.00 -0.00 0.00 0.00 52.55 53.46 3i1r s ASP 52 Cb -0.12 -1.56 -0.04 0.00 -0.00 0.00 0.00 42.92 41.20 3i1r s ASP 52 CO 0.54 -0.97 0.44 -0.31 -0.00 0.00 0.00 175.17 174.86 3i1r s TYR 53 N -2.84 3.34 -0.08 4.23 2.02 0.03 -4.36 117.35 119.69 3i1r s TYR 53 Ca 0.52 0.62 0.04 0.00 -0.37 0.00 0.00 57.07 57.88 3i1r s TYR 53 Cb -0.10 -2.59 0.00 0.00 -0.40 0.00 0.00 41.96 38.87 3i1r s TYR 53 CO 0.42 -0.10 -0.20 0.96 -1.57 0.00 0.00 175.55 175.06 3i1r s ILE 54 N 1.64 1.70 -0.30 2.71 -5.25 -0.87 -1.32 121.20 119.51 3i1r s ILE 54 Ca 0.20 -0.83 -0.10 0.00 -0.99 0.00 0.00 60.65 58.93 3i1r s ILE 54 Cb -0.15 -1.48 -0.02 0.00 2.95 0.00 0.00 42.46 43.76 3i1r s ILE 54 CO 0.09 0.48 0.15 0.27 -1.79 0.00 0.00 174.94 174.13 3i1r s ILE 55 N 0.32 4.66 0.46 8.37 -5.25 0.54 -1.72 121.20 128.58 3i1r s ILE 55 Ca -0.13 -0.29 -0.04 0.00 -0.99 0.00 0.00 60.65 59.20 3i1r s ILE 55 Cb -0.16 -3.32 -0.03 0.00 2.95 0.00 0.00 42.46 41.90 3i1r s ILE 55 CO 0.06 0.14 0.74 -0.69 -1.79 0.00 0.00 174.94 173.39 3i1r s VAL 56 N 1.64 4.75 -0.07 8.37 1.01 0.23 0.50 120.40 136.83 3i1r s VAL 56 Ca 0.05 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 3i1r s VAL 56 Cb -0.17 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.44 3i1r s VAL 56 CO 0.07 -0.71 0.18 -0.22 0.00 0.00 0.00 175.10 174.42 3i1r s LEU 57 N -4.66 1.21 -0.77 3.92 2.96 0.28 -4.27 118.68 117.34 3i1r s LEU 57 Ca 0.47 0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 54.73 3i1r s LEU 57 Cb -0.10 0.62 0.00 0.00 0.50 0.00 0.00 46.19 47.21 3i1r s LEU 57 CO 0.42 -0.08 0.66 0.59 -1.32 0.00 0.00 176.35 176.63 3i1r n ASN 58 N 3.14 -3.08 -0.21 3.68 5.03 0.93 -0.85 115.26 123.91 3i1r n ASN 58 Ca -0.14 -0.36 -0.01 0.00 0.87 0.00 0.00 54.58 54.94 3i1r n ASN 58 Cb 0.58 -3.31 0.06 0.00 -1.02 0.00 0.00 39.78 36.09 3i1r n ASN 58 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i1r h ALA 59 N 0.58 0.42 0.00 5.41 0.00 -1.48 -2.79 119.26 121.40 3i1r h ALA 59 Ca -0.36 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3i1r h ALA 59 Cb 1.22 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.47 3i1r h ALA 59 CO 0.32 -0.43 0.32 -0.40 0.00 0.00 0.00 179.25 179.07 3i1r n ASP 60 N -5.42 0.29 -0.81 0.00 5.68 -1.24 0.99 116.55 116.04 3i1r n ASP 60 Ca 0.07 0.51 0.08 0.00 -0.50 0.00 0.00 54.79 54.95 3i1r n ASP 60 Cb 0.32 -0.45 0.17 0.00 -1.14 0.00 0.00 41.12 40.03 3i1r n ASP 60 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3i1r n LYS 61 N -1.96 2.36 -1.65 0.11 5.02 -1.05 -5.00 118.16 115.98 3i1r n LYS 61 Ca -0.01 -2.03 -0.39 0.00 -2.02 0.00 0.00 58.31 53.86 3i1r n LYS 61 Cb 0.34 -1.35 0.04 0.00 -0.02 0.00 0.00 35.03 34.04 3i1r n LYS 61 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3i1r n VAL 62 N 0.89 3.29 -3.17 -0.18 3.14 0.28 -4.39 118.33 118.18 3i1r n VAL 62 Ca 0.14 -0.50 -0.18 0.00 -2.96 0.00 0.00 64.34 60.84 3i1r n VAL 62 Cb 0.46 -1.31 0.00 0.00 -1.06 0.00 0.00 33.84 31.94 3i1r n VAL 62 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i1r s ALA 63 N -1.37 4.40 0.00 1.55 0.00 -0.40 -4.93 121.76 121.01 3i1r s ALA 63 Ca 0.70 -1.68 0.00 0.00 0.00 0.00 0.00 51.96 50.98 3i1r s ALA 63 Cb -0.46 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.14 3i1r s ALA 63 CO 0.51 -0.24 0.00 1.55 0.00 0.00 0.00 175.76 177.58 3i1r n VAL 64 N -1.76 0.00 0.00 0.00 3.14 -1.26 -1.53 118.33 116.91 3i1r n VAL 64 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 3i1r n VAL 64 Cb 0.59 -0.57 0.00 0.00 -1.06 0.00 0.00 33.84 32.80 3i1r n VAL 64 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 3i1r n THR 65 N -2.37 0.00 -2.95 1.55 5.66 -1.26 -4.79 114.28 110.13 3i1r n THR 65 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3i1r n THR 65 Cb 0.13 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.91 3i1r n THR 65 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i1r n GLY 66 N 1.67 2.11 0.99 1.09 0.00 -1.26 -2.81 105.19 106.98 3i1r n GLY 66 Ca 0.00 -0.37 0.09 0.00 0.00 0.00 0.00 46.02 45.75 3i1r n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i1r n ASN 67 N -0.64 3.32 -0.34 1.61 4.13 -1.26 -4.60 115.26 117.47 3i1r n ASN 67 Ca 0.00 -1.95 0.21 0.00 1.68 0.00 0.00 54.58 54.52 3i1r n ASN 67 Cb 0.00 -0.30 0.46 0.00 -1.54 0.00 0.00 39.78 38.40 3i1r n ASN 67 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 3i1r h LYS 68 N 3.44 0.44 -1.09 3.52 1.57 -1.86 -1.75 116.57 120.85 3i1r h LYS 68 Ca 0.00 -0.03 0.30 0.00 -1.87 0.00 0.00 60.65 59.06 3i1r h LYS 68 Cb 0.86 -0.10 -0.11 0.00 0.08 0.00 0.00 32.23 32.96 3i1r h LYS 68 CO 0.00 0.29 0.68 -0.09 -0.57 0.00 0.00 179.45 179.77 3i1r h ARG 69 N 0.46 0.34 -0.05 3.15 2.43 -1.81 0.25 114.38 119.14 3i1r h ARG 69 Ca 0.63 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.78 3i1r h ARG 69 Cb 1.44 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 3i1r h ARG 69 CO -0.39 0.22 0.00 0.25 -1.51 0.00 0.00 179.97 178.54 3i1r n THR 70 N -4.72 0.86 -1.06 0.20 -2.24 -0.69 -1.89 114.28 104.74 3i1r n THR 70 Ca 0.29 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 3i1r n THR 70 Cb 0.99 0.57 0.01 0.00 -2.10 0.00 0.00 70.33 69.80 3i1r n THR 70 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3i1r n ASP 71 N -0.28 0.34 -4.87 3.42 10.43 0.70 -4.93 116.55 121.36 3i1r n ASP 71 Ca 0.02 -1.39 -0.30 0.00 2.57 0.00 0.00 54.79 55.69 3i1r n ASP 71 Cb 0.25 -0.05 0.06 0.00 1.84 0.00 0.00 41.12 43.21 3i1r n ASP 71 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 3i1r s LYS 72 N -0.23 2.55 0.00 -1.24 1.02 -0.19 -4.88 119.74 116.76 3i1r s LYS 72 Ca 0.01 0.41 0.00 0.00 0.02 0.00 0.00 55.97 56.41 3i1r s LYS 72 Cb 0.01 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 3i1r s LYS 72 CO 0.00 -1.25 0.00 1.33 -0.92 0.00 0.00 175.35 174.52 3i1r n VAL 73 N -3.14 0.00 -3.25 3.17 0.24 -1.26 -4.36 118.33 109.73 3i1r n VAL 73 Ca 0.07 0.07 -0.16 0.00 -2.04 0.00 0.00 64.34 62.28 3i1r n VAL 73 Cb 0.58 -0.39 0.01 0.00 -1.47 0.00 0.00 33.84 32.57 3i1r n VAL 73 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3i1r n TYR 74 N -0.90 -2.87 -4.40 6.34 0.53 -1.25 -3.54 117.16 111.06 3i1r n TYR 74 Ca 0.00 1.15 -0.35 0.00 -1.02 0.00 0.00 57.90 57.69 3i1r n TYR 74 Cb 0.00 -3.30 -0.10 0.00 -1.03 0.00 0.00 39.34 34.91 3i1r n TYR 74 CO 0.00 0.00 0.00 0.71 -1.02 0.00 0.00 176.86 176.55 3i1r s TYR 75 N -2.54 3.12 0.07 -0.72 2.02 -1.26 -1.10 117.35 116.95 3i1r s TYR 75 Ca 0.16 0.13 -0.10 0.00 -0.37 0.00 0.00 57.07 56.90 3i1r s TYR 75 Cb -0.03 -1.80 0.00 0.00 -0.40 0.00 0.00 41.96 39.73 3i1r s TYR 75 CO 0.82 0.40 0.21 -3.38 -1.57 0.00 0.00 175.55 172.03 3i1r s HIS 76 N -0.74 0.09 -0.10 2.71 -3.43 -0.90 -5.02 115.29 107.90 3i1r s HIS 76 Ca 0.11 -0.44 0.03 0.00 -0.80 0.00 0.00 55.06 53.96 3i1r s HIS 76 Cb -0.12 -0.03 -0.01 0.00 -1.43 0.00 0.00 32.58 31.00 3i1r s HIS 76 CO 0.02 -0.52 -0.20 -1.58 -2.00 0.00 0.00 174.74 170.47 3i1r s HIS 77 N -3.43 2.64 0.21 0.38 2.46 -1.26 -2.26 115.29 114.03 3i1r s HIS 77 Ca 0.02 -0.77 -0.00 0.00 0.47 0.00 0.00 55.06 54.77 3i1r s HIS 77 Cb 0.03 -1.73 0.18 0.00 -0.13 0.00 0.00 32.58 30.93 3i1r s HIS 77 CO -0.09 -0.26 1.54 1.79 -2.47 0.00 0.00 174.74 175.26 3i1r h THR 78 N 5.37 1.33 0.00 0.89 1.35 -1.53 -3.47 112.91 116.85 3i1r h THR 78 Ca -0.26 -1.80 0.00 0.00 -0.55 0.00 0.00 66.41 63.80 3i1r h THR 78 Cb 1.21 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 3i1r h THR 78 CO 0.50 0.55 0.00 0.61 -0.25 0.00 0.00 175.52 176.94 3i1r n GLY 79 N 0.20 0.72 3.86 5.82 0.00 -1.26 -5.06 105.19 109.47 3i1r n GLY 79 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 3i1r n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i1r s HIS 80 N -2.00 2.87 0.00 1.61 3.76 -1.26 -4.94 115.29 115.33 3i1r s HIS 80 Ca 0.00 -0.33 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 3i1r s HIS 80 Cb 0.00 -1.86 0.00 0.00 1.11 0.00 0.00 32.58 31.83 3i1r s HIS 80 CO 0.00 0.13 0.00 1.51 -0.85 0.00 0.00 174.74 175.53 3i1r n ILE 81 N -1.40 0.00 -3.12 0.60 3.06 -1.26 0.32 119.36 117.55 3i1r n ILE 81 Ca -0.01 0.00 -0.17 0.00 -2.50 0.00 0.00 62.75 60.07 3i1r n ILE 81 Cb 0.60 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.76 3i1r n ILE 81 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3i1r n GLY 82 N 0.00 3.08 2.71 4.50 0.00 -1.26 -5.06 105.19 109.16 3i1r n GLY 82 Ca 0.00 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 3i1r n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1r n GLY 83 N 0.45 4.46 3.42 -0.02 0.00 0.15 -4.86 105.19 108.79 3i1r n GLY 83 Ca 0.22 -1.65 -0.44 0.00 0.00 0.00 0.00 46.02 44.15 3i1r n GLY 83 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i1r s ILE 84 N 2.74 4.91 0.15 -0.61 1.10 -1.26 -1.15 121.20 127.08 3i1r s ILE 84 Ca 0.48 -0.72 -0.03 0.00 -0.51 0.00 0.00 60.65 59.87 3i1r s ILE 84 Cb 0.14 -4.33 -0.05 0.00 0.15 0.00 0.00 42.46 38.37 3i1r s ILE 84 CO -0.08 -0.86 0.37 -0.54 -2.11 0.00 0.00 174.94 171.72 3i1r s LYS 85 N 2.50 3.57 -0.09 3.50 1.02 -0.96 -5.03 119.74 124.26 3i1r s LYS 85 Ca 0.12 -0.19 -0.26 0.00 0.02 0.00 0.00 55.97 55.67 3i1r s LYS 85 Cb -0.21 -2.86 0.06 0.00 -0.52 0.00 0.00 37.83 34.30 3i1r s LYS 85 CO 0.10 0.46 0.60 1.14 -0.92 0.00 0.00 175.35 176.72 3i1r s GLN 86 N -2.85 0.90 0.07 1.68 1.03 -1.26 -2.12 119.66 117.11 3i1r s GLN 86 Ca 0.40 0.33 -0.18 0.00 0.04 0.00 0.00 55.36 55.95 3i1r s GLN 86 Cb -0.12 0.43 0.04 0.00 0.03 0.00 0.00 33.01 33.38 3i1r s GLN 86 CO 0.26 -0.24 0.42 0.00 -2.54 0.00 0.00 175.29 173.19 3i1r s ALA 87 N -0.84 -1.01 0.76 2.60 0.00 -0.26 -5.01 121.76 118.01 3i1r s ALA 87 Ca -0.09 0.23 -0.04 0.00 0.00 0.00 0.00 51.96 52.06 3i1r s ALA 87 Cb -0.02 0.44 0.14 0.00 0.00 0.00 0.00 23.12 23.68 3i1r s ALA 87 CO 0.07 -0.51 1.05 -0.08 0.00 0.00 0.00 175.76 176.29 3i1r s THR 88 N -2.83 2.12 -0.02 0.00 -1.32 -1.26 -3.88 115.64 108.45 3i1r s THR 88 Ca -0.03 -0.48 -0.23 0.00 -1.21 0.00 0.00 61.69 59.74 3i1r s THR 88 Cb -0.00 -2.64 -0.16 0.00 -1.51 0.00 0.00 72.50 68.19 3i1r s THR 88 CO -0.05 0.00 1.04 0.15 -2.21 0.00 0.00 174.62 173.55 3i1r h PHE 89 N -0.73 -0.32 -0.74 9.09 3.04 -1.76 0.11 116.94 125.63 3i1r h PHE 89 Ca -0.38 -0.01 0.09 0.00 3.98 0.00 0.00 57.97 61.65 3i1r h PHE 89 Cb 1.26 0.11 -0.05 0.00 2.56 0.00 0.00 35.95 39.83 3i1r h PHE 89 CO -0.35 0.04 0.49 1.05 -2.02 0.00 0.00 178.31 177.52 3i1r h GLU 90 N -0.83 0.64 -0.41 1.11 4.11 -1.69 0.30 114.58 117.80 3i1r h GLU 90 Ca -0.04 -0.04 -0.15 0.00 0.07 0.00 0.00 59.36 59.21 3i1r h GLU 90 Cb 0.51 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3i1r h GLU 90 CO 0.06 0.42 -0.31 0.93 0.07 0.00 0.00 179.01 180.18 3i1r h GLU 91 N 0.66 0.93 0.78 1.06 5.08 -1.84 -1.95 114.58 119.30 3i1r h GLU 91 Ca 0.34 -0.45 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 3i1r h GLU 91 Cb 0.44 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.69 3i1r h GLU 91 CO -0.12 1.11 -0.37 0.52 -1.00 0.00 0.00 179.01 179.14 3i1r h MET 92 N 0.78 -1.01 -0.55 2.33 2.86 0.13 -2.43 114.93 117.04 3i1r h MET 92 Ca 0.08 0.07 0.16 0.00 -2.06 0.00 0.00 59.70 57.95 3i1r h MET 92 Cb 0.89 0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.76 3i1r h MET 92 CO 0.08 -0.66 0.66 0.82 1.06 0.00 0.00 176.91 178.88 3i1r h ILE 93 N -1.14 0.24 0.19 -1.22 1.08 -0.51 -1.19 117.51 114.95 3i1r h ILE 93 Ca -0.11 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.35 3i1r h ILE 93 Cb 0.82 0.46 0.00 0.00 -3.07 0.00 0.00 36.82 35.03 3i1r h ILE 93 CO 0.18 0.00 -0.09 0.00 -0.69 0.00 0.00 178.15 177.55 3i1r h ALA 94 N 1.20 -0.25 -2.76 1.87 0.00 -0.96 -3.38 119.26 114.98 3i1r h ALA 94 Ca 0.26 -0.20 -0.71 0.00 0.00 0.00 0.00 54.91 54.26 3i1r h ALA 94 Cb 1.58 0.10 -0.25 0.00 0.00 0.00 0.00 17.79 19.22 3i1r h ALA 94 CO -0.00 -0.30 -0.49 -0.98 0.00 0.00 0.00 179.25 177.48 3i1r s ARG 95 N -3.15 2.79 -0.30 0.00 1.70 -0.45 -4.83 118.95 114.71 3i1r s ARG 95 Ca -0.11 -1.18 -0.07 0.00 -0.47 0.00 0.00 55.73 53.91 3i1r s ARG 95 Cb 0.00 -3.78 0.01 0.00 -0.57 0.00 0.00 34.95 30.61 3i1r s ARG 95 CO 0.39 -0.78 0.19 0.54 -1.08 0.00 0.00 175.30 174.56 3i1r n ARG 96 N 5.00 -2.61 0.09 3.89 1.74 -1.25 -4.71 116.66 118.81 3i1r n ARG 96 Ca -0.11 2.22 -0.00 0.00 -0.77 0.00 0.00 57.85 59.18 3i1r n ARG 96 Cb 0.45 -4.51 -0.03 0.00 -1.02 0.00 0.00 32.46 27.35 3i1r n ARG 96 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3i1r h PRO 97 N 2.83 0.00 -1.44 5.56 0.11 -1.74 -3.01 132.00 134.32 3i1r h PRO 97 Ca -0.04 0.00 0.42 0.00 0.11 0.00 0.00 66.00 66.48 3i1r h PRO 97 Cb 0.50 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.56 3i1r h PRO 97 CO 0.12 0.53 1.06 0.93 -0.21 0.00 0.00 178.00 180.43 3i1r h GLU 98 N 0.00 0.00 0.22 1.05 3.07 -1.92 0.36 114.58 117.35 3i1r h GLU 98 Ca -0.05 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.81 3i1r h GLU 98 Cb 1.52 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.40 3i1r h GLU 98 CO 0.07 0.00 -0.31 -0.09 -1.40 0.00 0.00 179.01 177.29 3i1r h ARG 99 N 0.00 -0.57 -0.57 2.33 9.65 -1.89 -2.54 114.38 120.80 3i1r h ARG 99 Ca 0.68 0.04 0.10 0.00 -1.10 0.00 0.00 59.98 59.70 3i1r h ARG 99 Cb 2.79 0.13 -0.11 0.00 -1.39 0.00 0.00 29.97 31.39 3i1r h ARG 99 CO -0.01 -0.38 -0.33 0.28 2.80 0.00 0.00 179.97 182.33 3i1r h VAL 100 N -0.59 0.18 -0.36 0.20 2.07 -0.50 1.34 116.25 118.60 3i1r h VAL 100 Ca 0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.60 3i1r h VAL 100 Cb 0.57 0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 30.46 3i1r h VAL 100 CO -0.11 0.00 -0.08 0.40 0.02 0.00 0.00 177.57 177.79 3i1r h ILE 101 N -0.17 0.65 0.00 4.57 1.08 -1.67 -2.83 117.51 119.14 3i1r h ILE 101 Ca 0.23 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.69 3i1r h ILE 101 Cb 0.55 0.64 -0.00 0.00 -3.07 0.00 0.00 36.82 34.94 3i1r h ILE 101 CO -0.66 0.00 -0.02 -0.33 -0.69 0.00 0.00 178.15 176.45 3i1r h GLU 102 N 0.00 -0.02 -0.57 2.37 5.08 0.22 0.12 114.58 121.78 3i1r h GLU 102 Ca 0.17 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.70 3i1r h GLU 102 Cb 0.26 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3i1r h GLU 102 CO -0.36 -0.02 0.68 -0.84 -1.00 0.00 0.00 179.01 177.47 3i1r h ILE 103 N -0.03 0.23 0.00 3.13 -0.00 -1.39 -0.26 117.51 119.19 3i1r h ILE 103 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 64.86 64.86 3i1r h ILE 103 Cb 0.03 0.44 0.00 0.00 -0.00 0.00 0.00 36.82 37.29 3i1r h ILE 103 CO -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 178.15 178.14 3i1r h ALA 104 N 1.17 -0.00 0.00 0.16 0.00 -0.59 -2.74 119.26 117.26 3i1r h ALA 104 Ca 0.27 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3i1r h ALA 104 Cb 1.63 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 3i1r h ALA 104 CO -0.00 -0.01 -0.26 -0.39 0.00 0.00 0.00 179.25 178.59 3i1r h VAL 105 N -0.99 0.58 0.13 0.00 -1.51 -0.43 -2.65 116.25 111.37 3i1r h VAL 105 Ca -0.00 -1.28 -0.01 0.00 -1.23 0.00 0.00 66.70 64.18 3i1r h VAL 105 Cb 0.71 1.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.75 3i1r h VAL 105 CO 0.00 0.25 -0.06 0.50 -1.23 0.00 0.00 177.57 177.03 3i1r h LYS 106 N 0.00 -0.17 0.00 5.19 3.64 -1.15 -1.15 116.57 122.94 3i1r h LYS 106 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3i1r h LYS 106 Cb 0.86 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3i1r h LYS 106 CO 0.03 -0.11 0.00 0.41 -2.27 0.00 0.00 179.45 177.51 3i1r n GLY 107 N -1.16 -0.32 0.25 5.01 0.00 -1.00 -0.75 105.19 107.21 3i1r n GLY 107 Ca -0.08 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 45.95 3i1r n GLY 107 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i1r n MET 108 N -1.26 1.62 -4.19 1.61 2.81 -0.49 -4.97 117.12 112.26 3i1r n MET 108 Ca 0.01 -1.36 -0.28 0.00 -1.81 0.00 0.00 57.70 54.26 3i1r n MET 108 Cb 0.01 -1.11 -0.08 0.00 -0.71 0.00 0.00 33.22 31.33 3i1r n MET 108 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3i1r s LEU 109 N -0.76 3.33 0.96 4.03 1.43 0.07 -4.94 118.68 122.81 3i1r s LEU 109 Ca 0.08 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 3i1r s LEU 109 Cb 0.05 -2.02 0.17 0.00 0.03 0.00 0.00 46.19 44.42 3i1r s LEU 109 CO 0.07 0.12 1.09 -2.16 0.23 0.00 0.00 176.35 175.69 3i1r s PRO 110 N -2.72 0.68 0.00 1.29 0.04 -1.26 -4.96 135.00 128.07 3i1r s PRO 110 Ca 0.26 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.24 3i1r s PRO 110 Cb -0.10 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.71 3i1r s PRO 110 CO 0.18 -2.67 0.00 0.36 0.04 0.00 0.00 177.00 174.91 3i1r n LYS 111 N -4.19 0.00 0.00 4.56 -0.00 -1.26 -4.31 118.16 112.95 3i1r n LYS 111 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 3i1r n LYS 111 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.58 3i1r n LYS 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i1r n GLY 112 N 0.00 0.98 0.21 2.58 0.00 -1.26 -4.66 105.19 103.04 3i1r n GLY 112 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3i1r n GLY 112 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i1r h PRO 113 N 0.00 -0.10 0.81 1.61 0.11 -1.99 0.33 132.00 132.76 3i1r h PRO 113 Ca 0.00 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.08 3i1r h PRO 113 Cb 0.00 0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.14 3i1r h PRO 113 CO 0.00 -0.07 -0.39 1.25 -0.21 0.00 0.00 178.00 178.58 3i1r h LEU 114 N -0.11 -0.92 -1.00 2.35 6.46 -1.94 -2.19 115.31 117.97 3i1r h LEU 114 Ca 0.05 0.03 0.29 0.00 -0.12 0.00 0.00 57.88 58.14 3i1r h LEU 114 Cb 0.25 0.24 -0.14 0.00 -0.73 0.00 0.00 40.66 40.27 3i1r h LEU 114 CO -0.36 -0.65 0.56 1.23 -0.62 0.00 0.00 178.44 178.60 3i1r h GLY 115 N -1.09 1.98 2.00 3.75 0.00 -1.57 1.20 103.07 109.34 3i1r h GLY 115 Ca -0.11 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 3i1r h GLY 115 CO 0.18 -0.40 -0.36 3.21 0.00 0.00 0.00 176.54 179.17 3i1r h ARG 116 N 0.41 0.00 -0.18 4.80 3.08 -0.01 -2.40 114.38 120.08 3i1r h ARG 116 Ca 0.70 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.56 3i1r h ARG 116 Cb 1.49 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.55 3i1r h ARG 116 CO -0.56 0.36 -0.60 0.00 -1.07 0.00 0.00 179.97 178.10 3i1r h ALA 117 N 1.64 0.32 -0.63 0.04 0.00 0.20 -3.04 119.26 117.78 3i1r h ALA 117 Ca -0.00 -0.53 0.04 0.00 0.00 0.00 0.00 54.91 54.42 3i1r h ALA 117 Cb 0.64 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3i1r h ALA 117 CO 0.05 0.57 0.36 0.52 0.00 0.00 0.00 179.25 180.75 3i1r h MET 118 N 0.44 0.68 -0.06 0.00 2.86 -0.72 -1.96 114.93 116.18 3i1r h MET 118 Ca -0.02 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.59 3i1r h MET 118 Cb 1.22 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.73 3i1r h MET 118 CO 0.13 0.45 0.07 0.35 1.06 0.00 0.00 176.91 178.96 3i1r h PHE 119 N 0.70 0.00 0.00 -0.22 3.04 -1.32 -1.00 116.94 118.13 3i1r h PHE 119 Ca 0.27 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.22 3i1r h PHE 119 Cb 0.11 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.62 3i1r h PHE 119 CO -0.07 0.00 0.00 0.54 -2.02 0.00 0.00 178.31 176.76 3i1r n ARG 120 N -3.79 0.23 0.00 1.11 1.74 -0.73 -2.17 116.66 113.05 3i1r n ARG 120 Ca -0.02 0.09 0.14 0.00 -0.77 0.00 0.00 57.85 57.29 3i1r n ARG 120 Cb 0.16 -1.50 0.48 0.00 -1.02 0.00 0.00 32.46 30.58 3i1r n ARG 120 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3i1r n LYS 121 N -1.34 1.60 -3.41 5.56 5.02 -0.38 -4.80 118.16 120.41 3i1r n LYS 121 Ca 0.09 -0.96 -0.44 0.00 -2.02 0.00 0.00 58.31 54.98 3i1r n LYS 121 Cb 0.19 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.64 3i1r n LYS 121 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3i1r s LEU 122 N -2.06 5.32 -0.38 -0.35 2.96 -0.92 -2.06 118.68 121.19 3i1r s LEU 122 Ca 0.36 -1.07 -0.11 0.00 -0.22 0.00 0.00 54.13 53.09 3i1r s LEU 122 Cb 0.21 -2.19 0.03 0.00 0.50 0.00 0.00 46.19 44.74 3i1r s LEU 122 CO 0.36 -0.55 0.20 -0.54 -1.32 0.00 0.00 176.35 174.49 3i1r s LYS 123 N 1.71 2.80 0.00 1.98 3.01 -0.70 -5.01 119.74 123.53 3i1r s LYS 123 Ca 0.05 -1.10 0.00 0.00 -1.01 0.00 0.00 55.97 53.91 3i1r s LYS 123 Cb -0.21 -3.72 0.00 0.00 -1.01 0.00 0.00 37.83 32.88 3i1r s LYS 123 CO 0.09 -0.71 0.00 1.33 0.51 0.00 0.00 175.35 176.57 3i1r n VAL 124 N 4.99 0.00 -0.75 3.17 0.24 -1.26 -0.60 118.33 124.12 3i1r n VAL 124 Ca -0.12 0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 3i1r n VAL 124 Cb 0.46 -0.83 0.00 0.00 -1.47 0.00 0.00 33.84 32.00 3i1r n VAL 124 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3i1r n TYR 125 N -1.35 -1.87 0.10 6.34 4.01 -1.26 -3.64 117.16 119.49 3i1r n TYR 125 Ca 0.00 0.98 0.08 0.00 -0.16 0.00 0.00 57.90 58.80 3i1r n TYR 125 Cb 0.00 -2.37 0.00 0.00 -0.31 0.00 0.00 39.34 36.66 3i1r n TYR 125 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i1r h ALA 126 N 1.21 0.62 -3.00 -0.72 0.00 -1.93 -2.61 119.26 112.83 3i1r h ALA 126 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3i1r h ALA 126 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3i1r h ALA 126 CO 0.00 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.96 3i1r n GLY 127 N 1.23 0.28 0.29 0.00 0.00 -1.26 -3.40 105.19 102.32 3i1r n GLY 127 Ca -0.02 -1.72 0.05 0.00 0.00 0.00 0.00 46.02 44.33 3i1r n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i1r n ASN 128 N 0.00 2.56 -2.29 1.61 4.05 -1.26 -0.05 115.26 119.88 3i1r n ASN 128 Ca 0.00 -2.39 -0.10 0.00 0.45 0.00 0.00 54.58 52.54 3i1r n ASN 128 Cb 0.00 -0.23 -0.03 0.00 1.23 0.00 0.00 39.78 40.76 3i1r n ASN 128 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 3i1r n GLU 129 N -0.47 0.41 -3.60 1.20 -0.00 -1.26 -4.96 120.64 111.96 3i1r n GLU 129 Ca 0.09 -1.84 -0.12 0.00 -0.00 0.00 0.00 57.16 55.29 3i1r n GLU 129 Cb 0.47 1.71 -0.05 0.00 -0.00 0.00 0.00 31.44 33.57 3i1r n GLU 129 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.13 173.75 3i1r s HIS 130 N -3.51 -0.33 -0.56 -1.84 -3.43 -1.26 -4.97 115.29 99.39 3i1r s HIS 130 Ca 0.20 0.23 0.04 0.00 -0.80 0.00 0.00 55.06 54.73 3i1r s HIS 130 Cb -0.00 0.31 0.28 0.00 -1.43 0.00 0.00 32.58 31.74 3i1r s HIS 130 CO 0.14 -0.66 1.06 0.27 -2.00 0.00 0.00 174.74 173.55 3i1r n ASN 131 N 0.17 2.88 -2.15 7.38 6.94 -1.26 -4.35 115.26 124.88 3i1r n ASN 131 Ca -0.18 -2.41 -0.29 0.00 -0.02 0.00 0.00 54.58 51.69 3i1r n ASN 131 Cb 0.62 -0.58 0.08 0.00 -2.36 0.00 0.00 39.78 37.53 3i1r n ASN 131 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3i1r n HIS 132 N 0.13 2.93 -0.19 -2.53 8.25 -1.26 -4.65 115.22 117.90 3i1r n HIS 132 Ca 0.13 -2.62 -0.00 0.00 -0.26 0.00 0.00 57.72 54.97 3i1r n HIS 132 Cb 0.69 -1.02 0.10 0.00 1.12 0.00 0.00 29.99 30.89 3i1r n HIS 132 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i1r h ALA 133 N 1.93 0.73 -0.78 -1.41 0.00 -2.01 -2.54 119.26 115.18 3i1r h ALA 133 Ca 0.51 0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.67 3i1r h ALA 133 Cb 1.22 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 3i1r h ALA 133 CO 1.23 -0.24 0.52 0.00 0.00 0.00 0.00 179.25 180.75 3i1r h ALA 134 N 1.42 2.08 0.00 0.00 0.00 -1.97 0.53 119.26 121.32 3i1r h ALA 134 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3i1r h ALA 134 Cb 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3i1r h ALA 134 CO -0.33 -0.29 0.00 1.04 0.00 0.00 0.00 179.25 179.67 3i1r n GLN 135 N -4.49 0.52 -3.97 0.00 1.13 -0.95 -4.88 117.38 104.75 3i1r n GLN 135 Ca 0.15 0.04 -0.28 0.00 -1.94 0.00 0.00 57.00 54.97 3i1r n GLN 135 Cb 0.53 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.37 3i1r n GLN 135 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3i1r n GLN 136 N -1.11 -3.96 -1.68 -1.09 6.02 0.19 -4.73 117.38 111.01 3i1r n GLN 136 Ca 0.14 0.47 -0.39 0.00 -0.01 0.00 0.00 57.00 57.20 3i1r n GLN 136 Cb 0.11 -4.95 0.03 0.00 1.02 0.00 0.00 30.24 26.46 3i1r n GLN 136 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3i1r n PRO 137 N -4.43 1.48 -3.92 -1.09 -0.04 -1.26 -4.85 135.00 120.89 3i1r n PRO 137 Ca -0.16 0.54 -0.22 0.00 -0.04 0.00 0.00 63.50 63.63 3i1r n PRO 137 Cb 0.61 -2.33 -0.04 0.00 -0.04 0.00 0.00 33.50 31.69 3i1r n PRO 137 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3i1r s GLN 138 N -2.54 2.62 0.10 0.54 -2.07 0.11 -4.81 119.66 113.62 3i1r s GLN 138 Ca 0.69 -1.36 -0.11 0.00 -1.82 0.00 0.00 55.36 52.75 3i1r s GLN 138 Cb -0.46 -2.39 -0.06 0.00 -1.09 0.00 0.00 33.01 29.01 3i1r s GLN 138 CO 0.52 0.12 0.45 0.54 -1.32 0.00 0.00 175.29 175.60 3i1r s VAL 139 N -2.33 5.01 0.13 3.63 0.11 -1.26 0.10 120.40 125.79 3i1r s VAL 139 Ca 0.39 0.58 0.02 0.00 -2.93 0.00 0.00 61.98 60.05 3i1r s VAL 139 Cb -0.05 -3.68 -0.01 0.00 -1.53 0.00 0.00 36.38 31.12 3i1r s VAL 139 CO 0.25 0.28 0.12 0.00 -3.33 0.00 0.00 175.10 172.42 3i1r n LEU 140 N 0.88 0.00 0.00 2.54 -0.00 -0.68 -4.81 117.00 114.92 3i1r n LEU 140 Ca -0.07 -1.17 0.00 0.00 -0.00 0.00 0.00 56.01 54.76 3i1r n LEU 140 Cb 0.52 0.67 0.00 0.00 -0.00 0.00 0.00 43.42 44.62 3i1r n LEU 140 CO 0.42 -0.20 0.00 0.47 -0.00 0.00 0.00 177.39 178.08 3i1r n ASP 141 N -2.43 0.00 0.00 1.45 8.00 -1.26 -4.49 116.55 117.82 3i1r n ASP 141 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 3i1r n ASP 141 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 3i1r n ASP 141 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43