#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3s s THR 2 N 0.00 4.74 -0.16 3.17 2.01 -1.22 -4.87 115.64 119.31 3i3s s THR 2 Ca 0.00 1.51 -0.10 0.00 0.31 0.00 0.00 61.69 63.41 3i3s s THR 2 Cb 0.00 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 3i3s s THR 2 CO 0.00 0.41 0.16 -0.70 -0.69 0.00 0.00 174.62 173.79 3i3s s GLU 3 N -0.27 3.95 -0.19 4.92 2.12 -1.26 -0.87 118.70 127.09 3i3s s GLU 3 Ca 0.36 -0.14 -0.00 0.00 0.36 0.00 0.00 54.97 55.54 3i3s s GLU 3 Cb -0.20 -3.34 0.01 0.00 0.26 0.00 0.00 34.13 30.86 3i3s s GLU 3 CO 0.21 0.46 -0.15 0.71 -0.54 0.00 0.00 175.26 175.95 3i3s s TYR 4 N -0.12 2.83 -0.49 5.30 1.51 0.03 -4.94 117.35 121.47 3i3s s TYR 4 Ca 0.12 -1.40 -0.19 0.00 -1.01 0.00 0.00 57.07 54.59 3i3s s TYR 4 Cb -0.12 -1.97 0.05 0.00 -0.11 0.00 0.00 41.96 39.81 3i3s s TYR 4 CO 0.01 -0.71 0.59 0.15 -1.11 0.00 0.00 175.55 174.48 3i3s s LYS 5 N 1.31 3.12 0.02 -0.62 1.02 -1.26 -1.20 119.74 122.14 3i3s s LYS 5 Ca 0.04 -0.86 0.01 0.00 0.02 0.00 0.00 55.97 55.19 3i3s s LYS 5 Cb -0.14 -4.07 -0.04 0.00 -0.52 0.00 0.00 37.83 33.07 3i3s s LYS 5 CO -0.09 -1.14 0.05 -0.51 -0.92 0.00 0.00 175.35 172.74 3i3s s LEU 6 N 2.51 3.73 -0.04 3.17 1.43 0.29 -0.63 118.68 129.14 3i3s s LEU 6 Ca 0.15 0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 3i3s s LEU 6 Cb -0.19 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 43.80 3i3s s LEU 6 CO 0.12 0.24 -0.08 -0.69 0.23 0.00 0.00 176.35 176.18 3i3s s VAL 7 N -1.22 0.76 -0.23 -1.59 1.01 -0.40 -0.68 120.40 118.05 3i3s s VAL 7 Ca 0.24 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 3i3s s VAL 7 Cb -0.12 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 3i3s s VAL 7 CO 0.15 0.26 0.01 -0.69 0.00 0.00 0.00 175.10 174.83 3i3s s VAL 8 N 0.56 3.85 0.19 2.92 1.01 -0.18 -0.74 120.40 128.02 3i3s s VAL 8 Ca -0.09 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.60 3i3s s VAL 8 Cb -0.12 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 3i3s s VAL 8 CO 0.01 0.39 -0.07 0.68 0.00 0.00 0.00 175.10 176.11 3i3s s VAL 9 N 1.42 1.23 0.00 2.92 -7.23 -0.28 -2.83 120.40 115.64 3i3s s VAL 9 Ca 0.05 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 3i3s s VAL 9 Cb -0.15 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.71 3i3s s VAL 9 CO 0.00 -0.55 0.00 0.61 -0.31 0.00 0.00 175.10 174.85 3i3s n GLY 10 N -0.32 2.40 3.69 2.32 0.00 -1.26 -0.90 105.19 111.11 3i3s n GLY 10 Ca -0.08 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 3i3s n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i3s s ALA 11 N -1.79 1.63 0.23 4.61 0.00 -1.26 -4.07 121.76 121.10 3i3s s ALA 11 Ca 0.00 0.56 -0.32 0.00 0.00 0.00 0.00 51.96 52.20 3i3s s ALA 11 Cb 0.00 -3.43 -0.13 0.00 0.00 0.00 0.00 23.12 19.57 3i3s s ALA 11 CO 0.00 -2.57 1.57 0.41 0.00 0.00 0.00 175.76 175.17 3i3s n GLY 12 N 0.00 1.18 1.95 0.00 0.00 -1.15 -2.94 105.19 104.23 3i3s n GLY 12 Ca 0.12 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.69 3i3s n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i3s n GLY 13 N 2.87 0.81 0.16 -0.02 0.00 -1.26 -4.92 105.19 102.83 3i3s n GLY 13 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 3i3s n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3i3s h VAL 14 N 0.00 0.00 0.00 1.61 -1.51 -1.90 -3.47 116.25 110.98 3i3s h VAL 14 Ca 0.00 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 3i3s h VAL 14 Cb 0.00 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 3i3s h VAL 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 3i3s n GLY 15 N 0.74 1.69 0.11 5.19 0.00 -1.26 -4.56 105.19 107.10 3i3s n GLY 15 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 3i3s n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i3s h LYS 16 N 0.00 -0.05 -0.36 1.61 1.57 -1.91 -0.31 116.57 117.13 3i3s h LYS 16 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3i3s h LYS 16 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3i3s h LYS 16 CO 0.00 -0.04 0.06 0.77 -0.57 0.00 0.00 179.45 179.68 3i3s h SER 17 N -0.06 0.56 -0.92 0.86 0.02 -1.96 -2.20 113.55 109.86 3i3s h SER 17 Ca 0.06 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3i3s h SER 17 Cb 0.15 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 3i3s h SER 17 CO -0.14 0.68 0.57 0.00 -1.14 0.00 0.00 176.83 176.79 3i3s h ALA 18 N 0.91 1.27 -0.05 3.77 0.00 -1.86 0.38 119.26 123.67 3i3s h ALA 18 Ca 0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3i3s h ALA 18 Cb 0.35 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3i3s h ALA 18 CO 0.01 0.64 0.03 -0.07 0.00 0.00 0.00 179.25 179.85 3i3s h LEU 19 N 1.27 0.06 -0.42 0.00 3.38 -0.95 -0.78 115.31 117.87 3i3s h LEU 19 Ca 0.33 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 3i3s h LEU 19 Cb -0.08 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3i3s h LEU 19 CO -0.07 0.10 0.10 0.74 0.09 0.00 0.00 178.44 179.40 3i3s h THR 20 N 0.02 1.23 -0.41 0.22 2.02 -0.98 -1.49 112.91 113.52 3i3s h THR 20 Ca 0.02 -0.80 -0.10 0.00 0.77 0.00 0.00 66.41 66.30 3i3s h THR 20 Cb 0.05 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3i3s h THR 20 CO -0.00 0.28 -0.14 0.40 0.37 0.00 0.00 175.52 176.43 3i3s h ILE 21 N 0.54 1.26 -0.33 3.11 2.04 -0.91 -0.77 117.51 122.45 3i3s h ILE 21 Ca 0.13 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 3i3s h ILE 21 Cb 0.32 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3i3s h ILE 21 CO 0.00 0.41 0.15 -0.61 0.00 0.00 0.00 178.15 178.10 3i3s h GLN 22 N 0.67 0.48 0.06 2.37 5.75 -0.95 0.27 115.11 123.76 3i3s h GLN 22 Ca 0.11 -0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 3i3s h GLN 22 Cb 0.62 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.09 3i3s h GLN 22 CO 0.04 0.45 -0.03 1.25 -2.65 0.00 0.00 178.83 177.90 3i3s h LEU 23 N 0.39 -0.07 0.18 -2.39 5.85 -0.93 -1.26 115.31 117.09 3i3s h LEU 23 Ca 0.11 -0.01 -0.32 0.00 0.84 0.00 0.00 57.88 58.50 3i3s h LEU 23 Cb 0.14 0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.20 3i3s h LEU 23 CO -0.01 -0.03 -1.52 0.40 -0.34 0.00 0.00 178.44 176.93 3i3s h ILE 24 N -0.10 1.20 -0.00 4.05 1.08 -1.08 -3.39 117.51 119.27 3i3s h ILE 24 Ca -0.01 -2.74 0.00 0.00 -0.39 0.00 0.00 64.86 61.72 3i3s h ILE 24 Cb 0.08 2.89 0.00 0.00 -3.07 0.00 0.00 36.82 36.72 3i3s h ILE 24 CO 0.01 0.84 -0.07 0.00 -0.69 0.00 0.00 178.15 178.24 3i3s n GLN 25 N -3.59 2.22 -3.58 2.37 6.02 0.92 -5.04 117.38 116.69 3i3s n GLN 25 Ca -0.17 -0.43 -0.23 0.00 -0.01 0.00 0.00 57.00 56.16 3i3s n GLN 25 Cb 1.07 -0.90 0.08 0.00 1.02 0.00 0.00 30.24 31.51 3i3s n GLN 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3i3s n ASN 26 N -0.33 -6.14 -3.85 1.08 3.02 -0.47 -4.96 115.26 103.61 3i3s n ASN 26 Ca 0.02 -0.54 -0.09 0.00 -0.03 0.00 0.00 54.58 53.93 3i3s n ASN 26 Cb 0.08 -5.02 -0.06 0.00 -0.61 0.00 0.00 39.78 34.17 3i3s n ASN 26 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 3i3s s HIS 27 N -3.32 0.16 -0.23 3.10 -3.43 -1.26 -5.02 115.29 105.29 3i3s s HIS 27 Ca 0.55 -0.54 -0.10 0.00 -0.80 0.00 0.00 55.06 54.18 3i3s s HIS 27 Cb -0.24 0.05 -0.05 0.00 -1.43 0.00 0.00 32.58 30.91 3i3s s HIS 27 CO 0.73 -0.69 0.14 0.12 -2.00 0.00 0.00 174.74 173.03 3i3s s PHE 28 N -3.90 3.29 -0.45 0.38 5.36 -1.26 -3.49 117.98 117.91 3i3s s PHE 28 Ca 0.10 0.15 -0.24 0.00 -0.96 0.00 0.00 56.93 55.98 3i3s s PHE 28 Cb 0.03 -2.24 0.03 0.00 -0.34 0.00 0.00 43.02 40.49 3i3s s PHE 28 CO -0.05 0.04 0.86 0.08 -1.46 0.00 0.00 175.22 174.68 3i3s s VAL 29 N 1.02 4.56 0.07 3.12 1.01 -1.26 -4.93 120.40 123.99 3i3s s VAL 29 Ca 0.07 0.61 -0.02 0.00 0.00 0.00 0.00 61.98 62.64 3i3s s VAL 29 Cb -0.14 -4.37 -0.27 0.00 0.00 0.00 0.00 36.38 31.60 3i3s s VAL 29 CO 0.04 -0.76 1.10 0.44 0.00 0.00 0.00 175.10 175.92 3i3s h ASP 30 N 9.00 0.33 -4.40 3.32 5.19 -2.01 -3.47 116.42 124.38 3i3s h ASP 30 Ca -0.24 -0.37 -0.49 0.00 -0.62 0.00 0.00 57.03 55.30 3i3s h ASP 30 Cb 1.08 -0.11 0.08 0.00 0.18 0.00 0.00 39.33 40.56 3i3s h ASP 30 CO 0.99 1.30 0.40 -1.83 -3.12 0.00 0.00 179.24 176.97 3i3s s GLU 31 N -2.66 2.89 -0.37 3.56 -1.05 -1.26 -5.05 118.70 114.77 3i3s s GLU 31 Ca -0.04 0.43 0.02 0.00 -0.15 0.00 0.00 54.97 55.23 3i3s s GLU 31 Cb 0.08 -2.04 0.10 0.00 -0.44 0.00 0.00 34.13 31.82 3i3s s GLU 31 CO 0.86 -0.99 0.11 -0.47 0.95 0.00 0.00 175.26 175.72 3i3s s TYR 32 N -3.32 3.70 -0.36 4.83 5.04 -1.26 -5.05 117.35 120.93 3i3s s TYR 32 Ca 0.58 -2.80 -0.07 0.00 -2.44 0.00 0.00 57.07 52.33 3i3s s TYR 32 Cb -0.11 -3.03 0.06 0.00 0.35 0.00 0.00 41.96 39.22 3i3s s TYR 32 CO 0.51 -0.96 0.15 -0.51 -1.34 0.00 0.00 175.55 173.41 3i3s s ASP 33 N 1.22 5.38 0.34 4.32 1.01 -1.26 -5.09 116.67 122.58 3i3s s ASP 33 Ca 0.10 -1.31 -0.28 0.00 0.71 0.00 0.00 52.55 51.77 3i3s s ASP 33 Cb -0.20 -1.89 -0.12 0.00 1.01 0.00 0.00 42.92 41.71 3i3s s ASP 33 CO -0.07 -0.40 1.35 -2.65 0.21 0.00 0.00 175.17 173.62 3i3s n PRO 34 N 4.81 2.26 -3.46 8.23 -0.02 -1.26 -4.98 135.00 140.58 3i3s n PRO 34 Ca -0.11 0.79 -0.34 0.00 -2.02 0.00 0.00 63.50 61.82 3i3s n PRO 34 Cb 0.44 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.44 3i3s n PRO 34 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i3s s THR 35 N -0.97 4.97 0.00 3.45 2.01 -1.26 -5.03 115.64 118.81 3i3s s THR 35 Ca 0.56 0.60 0.00 0.00 0.31 0.00 0.00 61.69 63.16 3i3s s THR 35 Cb -0.55 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.28 3i3s s THR 35 CO 0.61 0.21 0.00 -0.38 -0.69 0.00 0.00 174.62 174.37 3i3s n ILE 36 N 0.69 0.00 -3.59 1.82 2.08 -1.26 -4.17 119.36 114.92 3i3s n ILE 36 Ca -0.05 0.08 -0.02 0.00 0.56 0.00 0.00 62.75 63.31 3i3s n ILE 36 Cb 0.52 -0.71 -0.04 0.00 -0.75 0.00 0.00 39.64 38.65 3i3s n ILE 36 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 3i3s s GLU 37 N -0.15 0.54 0.14 0.38 2.12 -1.26 -2.27 118.70 118.20 3i3s s GLU 37 Ca 0.00 1.34 0.10 0.00 0.36 0.00 0.00 54.97 56.77 3i3s s GLU 37 Cb 0.00 0.75 -0.04 0.00 0.26 0.00 0.00 34.13 35.10 3i3s s GLU 37 CO 0.00 -0.26 -0.23 -0.51 -0.54 0.00 0.00 175.26 173.72 3i3s s ASP 38 N 2.85 3.01 0.08 -1.70 1.01 -0.64 -5.00 116.67 116.28 3i3s s ASP 38 Ca -0.02 -0.78 0.06 0.00 0.71 0.00 0.00 52.55 52.52 3i3s s ASP 38 Cb -0.12 -0.19 -0.03 0.00 1.01 0.00 0.00 42.92 43.58 3i3s s ASP 38 CO -0.18 0.10 -0.15 -0.94 0.21 0.00 0.00 175.17 174.20 3i3s s SER 39 N -2.25 1.81 0.05 0.27 1.04 -1.26 -0.32 113.70 113.03 3i3s s SER 39 Ca 0.14 -0.64 0.04 0.00 0.48 0.00 0.00 55.95 55.97 3i3s s SER 39 Cb -0.09 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 65.95 3i3s s SER 39 CO 0.06 -0.06 -0.11 -0.31 0.98 0.00 0.00 173.24 173.80 3i3s s TYR 40 N -1.31 0.99 -0.03 5.02 1.51 -0.19 -4.99 117.35 118.34 3i3s s TYR 40 Ca -0.00 -0.41 -0.01 0.00 -1.01 0.00 0.00 57.07 55.64 3i3s s TYR 40 Cb -0.10 -0.58 0.03 0.00 -0.11 0.00 0.00 41.96 41.20 3i3s s TYR 40 CO 0.03 0.00 0.06 1.03 -1.11 0.00 0.00 175.55 175.56 3i3s s ARG 41 N -1.36 0.01 -0.15 -0.62 0.52 -1.26 -0.34 118.95 115.75 3i3s s ARG 41 Ca -0.03 0.21 -0.20 0.00 -0.52 0.00 0.00 55.73 55.19 3i3s s ARG 41 Cb -0.09 -0.17 0.05 0.00 0.52 0.00 0.00 34.95 35.26 3i3s s ARG 41 CO 0.01 -0.14 0.54 0.21 0.02 0.00 0.00 175.30 175.94 3i3s s LYS 42 N 0.89 0.71 -0.07 3.54 2.20 -0.53 -4.99 119.74 121.49 3i3s s LYS 42 Ca -0.07 0.55 -0.23 0.00 -0.36 0.00 0.00 55.97 55.85 3i3s s LYS 42 Cb -0.10 0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 36.52 3i3s s LYS 42 CO -0.03 -0.13 0.69 -0.65 -0.36 0.00 0.00 175.35 174.86 3i3s s GLN 43 N -0.18 4.43 -0.02 4.03 -0.21 -1.26 -0.99 119.66 125.46 3i3s s GLN 43 Ca -0.04 0.86 -0.09 0.00 0.02 0.00 0.00 55.36 56.11 3i3s s GLN 43 Cb -0.03 -3.44 0.01 0.00 1.00 0.00 0.00 33.01 30.54 3i3s s GLN 43 CO 0.03 0.07 0.20 0.14 -2.12 0.00 0.00 175.29 173.61 3i3s s VAL 44 N 0.77 0.06 -0.22 1.09 -7.23 -0.01 -4.97 120.40 109.88 3i3s s VAL 44 Ca 0.37 -0.47 -0.18 0.00 -1.81 0.00 0.00 61.98 59.89 3i3s s VAL 44 Cb -0.18 -0.45 -0.03 0.00 0.56 0.00 0.00 36.38 36.29 3i3s s VAL 44 CO 0.18 -0.26 0.51 -0.69 -0.31 0.00 0.00 175.10 174.52 3i3s s VAL 45 N -1.01 5.10 -0.22 1.32 1.01 -1.26 -0.36 120.40 124.98 3i3s s VAL 45 Ca -0.11 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.78 3i3s s VAL 45 Cb -0.06 -3.83 0.06 0.00 0.00 0.00 0.00 36.38 32.56 3i3s s VAL 45 CO 0.02 0.15 -0.05 -0.63 0.00 0.00 0.00 175.10 174.58 3i3s s ILE 46 N 1.88 1.46 -1.25 2.22 1.01 -0.34 -4.77 121.20 121.41 3i3s s ILE 46 Ca 0.22 -1.12 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 3i3s s ILE 46 Cb -0.15 -1.71 0.00 0.00 0.01 0.00 0.00 42.46 40.61 3i3s s ILE 46 CO 0.09 -0.06 1.05 0.47 0.00 0.00 0.00 174.94 176.49 3i3s n ASP 47 N 4.71 -3.34 0.00 3.58 8.00 -1.26 -2.06 116.55 126.17 3i3s n ASP 47 Ca -0.12 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.78 3i3s n ASP 47 Cb 0.45 -5.07 0.00 0.00 -0.02 0.00 0.00 41.12 36.47 3i3s n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i3s n GLY 48 N -1.41 0.25 3.69 0.44 0.00 -1.26 -4.95 105.19 101.95 3i3s n GLY 48 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 3i3s n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i3s s GLU 49 N -0.93 4.16 -0.06 1.61 2.12 -0.88 -5.06 118.70 119.67 3i3s s GLU 49 Ca 0.00 -0.07 -0.30 0.00 0.36 0.00 0.00 54.97 54.96 3i3s s GLU 49 Cb 0.00 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 3i3s s GLU 49 CO 0.00 0.12 1.34 0.42 -0.54 0.00 0.00 175.26 176.60 3i3s s ILE 50 N 0.85 3.97 -0.06 -3.70 1.01 -1.26 -1.20 121.20 120.80 3i3s s ILE 50 Ca 0.12 1.29 0.06 0.00 0.00 0.00 0.00 60.65 62.12 3i3s s ILE 50 Cb -0.13 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 3i3s s ILE 50 CO 0.04 -0.04 -0.24 0.00 0.00 0.00 0.00 174.94 174.70 3i3s s LEU 52 N -0.15 4.69 -0.20 0.00 1.98 -0.05 -0.83 118.68 124.11 3i3s s LEU 52 Ca -0.04 -0.53 -0.19 0.00 -2.89 0.00 0.00 54.13 50.49 3i3s s LEU 52 Cb -0.14 -2.22 -0.03 0.00 0.66 0.00 0.00 46.19 44.46 3i3s s LEU 52 CO 0.04 -0.35 0.52 -0.76 -1.89 0.00 0.00 176.35 173.91 3i3s s LEU 53 N 1.82 4.15 -0.30 -0.68 1.43 -0.17 -0.79 118.68 124.16 3i3s s LEU 53 Ca 0.08 0.69 -0.05 0.00 -1.03 0.00 0.00 54.13 53.82 3i3s s LEU 53 Cb -0.18 -2.72 0.03 0.00 0.03 0.00 0.00 46.19 43.35 3i3s s LEU 53 CO 0.11 -0.18 0.04 -1.81 0.23 0.00 0.00 176.35 174.74 3i3s s ASP 54 N 1.13 4.96 -0.20 2.29 1.01 -0.34 -1.45 116.67 124.07 3i3s s ASP 54 Ca 0.24 -0.94 -0.02 0.00 0.71 0.00 0.00 52.55 52.54 3i3s s ASP 54 Cb -0.15 -1.80 -0.00 0.00 1.01 0.00 0.00 42.92 41.97 3i3s s ASP 54 CO 0.10 -0.22 -0.10 -0.63 0.21 0.00 0.00 175.17 174.52 3i3s s ILE 55 N 1.40 2.92 -0.29 0.77 1.01 0.54 -0.55 121.20 127.00 3i3s s ILE 55 Ca -0.00 -0.65 -0.15 0.00 0.00 0.00 0.00 60.65 59.85 3i3s s ILE 55 Cb -0.18 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 3i3s s ILE 55 CO 0.00 0.47 0.35 -0.22 0.00 0.00 0.00 174.94 175.55 3i3s s LEU 56 N 1.29 4.11 -0.43 2.97 2.96 0.14 -1.03 118.68 128.69 3i3s s LEU 56 Ca 0.03 0.15 -0.16 0.00 -0.22 0.00 0.00 54.13 53.94 3i3s s LEU 56 Cb -0.14 -2.38 0.03 0.00 0.50 0.00 0.00 46.19 44.20 3i3s s LEU 56 CO -0.05 -0.20 0.38 -0.62 -1.32 0.00 0.00 176.35 174.54 3i3s s ASP 57 N 1.68 6.15 0.37 3.68 2.15 0.57 -1.01 116.67 130.25 3i3s s ASP 57 Ca 0.14 -0.86 0.06 0.00 0.43 0.00 0.00 52.55 52.31 3i3s s ASP 57 Cb -0.16 -2.20 -0.00 0.00 -0.30 0.00 0.00 42.92 40.26 3i3s s ASP 57 CO 0.10 -0.55 0.52 0.42 -0.17 0.00 0.00 175.17 175.49 3i3s s THR 58 N 1.91 3.91 0.23 1.71 -4.23 -1.13 -1.61 115.64 116.42 3i3s s THR 58 Ca 0.08 -0.92 -0.30 0.00 -1.18 0.00 0.00 61.69 59.38 3i3s s THR 58 Cb -0.19 -3.36 -0.09 0.00 1.34 0.00 0.00 72.50 70.20 3i3s s THR 58 CO 0.11 -0.16 1.09 0.00 -0.54 0.00 0.00 174.62 175.12 3i3s s ALA 59 N -2.26 3.39 -0.11 3.99 0.00 -0.96 -4.85 121.76 120.95 3i3s s ALA 59 Ca 0.47 0.84 0.18 0.00 0.00 0.00 0.00 51.96 53.45 3i3s s ALA 59 Cb -0.10 -3.33 -0.27 0.00 0.00 0.00 0.00 23.12 19.43 3i3s s ALA 59 CO 0.32 -0.16 0.24 0.41 0.00 0.00 0.00 175.76 176.58 3i3s n GLY 60 N 1.60 -0.91 3.68 0.00 0.00 -1.26 -4.82 105.19 103.49 3i3s n GLY 60 Ca 0.01 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 3i3s n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i3s s GLN 61 N -2.90 4.30 0.34 1.61 -0.21 -1.26 -2.92 119.66 118.62 3i3s s GLN 61 Ca -0.08 1.80 0.09 0.00 0.02 0.00 0.00 55.36 57.19 3i3s s GLN 61 Cb 0.09 -3.62 0.84 0.00 1.00 0.00 0.00 33.01 31.33 3i3s s GLN 61 CO 0.79 -0.55 1.79 0.93 -2.12 0.00 0.00 175.29 176.13 3i3s h GLU 62 N 7.80 0.64 0.00 2.91 3.07 -1.97 -1.10 114.58 125.94 3i3s h GLU 62 Ca -0.34 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.47 3i3s h GLU 62 Cb 1.16 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.92 3i3s h GLU 62 CO 0.91 0.42 -0.02 1.49 -1.40 0.00 0.00 179.01 180.41 3i3s h GLU 63 N 0.66 0.00 -0.28 2.33 4.81 -2.00 -2.25 114.58 117.85 3i3s h GLU 63 Ca 0.56 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 3i3s h GLU 63 Cb 1.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3i3s h GLU 63 CO -0.33 0.02 0.00 0.66 -0.73 0.00 0.00 179.01 178.63 3i3s n TYR 64 N -4.12 0.37 0.18 0.92 4.01 -0.46 -4.64 117.16 113.41 3i3s n TYR 64 Ca -0.03 -0.30 0.11 0.00 -0.16 0.00 0.00 57.90 57.51 3i3s n TYR 64 Cb 0.10 -0.01 0.27 0.00 -0.31 0.00 0.00 39.34 39.39 3i3s n TYR 64 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3i3s n SER 65 N 0.82 3.26 -4.76 7.72 3.41 -0.84 -4.66 113.62 118.58 3i3s n SER 65 Ca 0.13 -1.97 -0.41 0.00 -0.26 0.00 0.00 58.87 56.35 3i3s n SER 65 Cb 0.43 -0.35 -0.01 0.00 -0.26 0.00 0.00 64.21 64.02 3i3s n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i3s s ALA 66 N -1.30 3.71 0.00 7.33 0.00 -1.26 -2.66 121.76 127.58 3i3s s ALA 66 Ca 0.41 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.96 3i3s s ALA 66 Cb 0.22 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3i3s s ALA 66 CO 0.29 -1.02 0.00 0.00 0.00 0.00 0.00 175.76 175.03 3i3s n MET 67 N 1.72 -0.96 -0.28 0.00 3.85 -1.26 -4.86 117.12 115.33 3i3s n MET 67 Ca 0.06 0.24 0.10 0.00 -1.00 0.00 0.00 57.70 57.10 3i3s n MET 67 Cb 0.38 -3.99 0.34 0.00 -1.05 0.00 0.00 33.22 28.90 3i3s n MET 67 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 3i3s h ARG 68 N 0.55 0.75 -0.81 3.17 2.43 -1.87 -2.57 114.38 116.03 3i3s h ARG 68 Ca 0.00 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3i3s h ARG 68 Cb 0.48 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 3i3s h ARG 68 CO 0.00 0.50 0.45 -0.44 -1.51 0.00 0.00 179.97 178.97 3i3s h ASP 69 N 0.77 1.00 -0.20 -3.80 3.32 -1.89 -2.08 116.42 113.55 3i3s h ASP 69 Ca 0.44 -0.08 -0.15 0.00 0.02 0.00 0.00 57.03 57.26 3i3s h ASP 69 Cb 0.61 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3i3s h ASP 69 CO -0.20 0.80 -0.45 1.56 -1.72 0.00 0.00 179.24 179.22 3i3s h GLN 70 N 1.13 0.65 -0.01 3.56 1.08 -1.87 -3.10 115.11 116.55 3i3s h GLN 70 Ca 0.29 -0.44 -0.09 0.00 -1.45 0.00 0.00 58.65 56.96 3i3s h GLN 70 Cb 0.01 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 3i3s h GLN 70 CO -0.05 1.06 -0.43 1.88 -0.95 0.00 0.00 178.83 180.34 3i3s h TYR 71 N 0.34 0.02 0.00 2.96 0.05 -1.45 -2.80 116.97 116.09 3i3s h TYR 71 Ca -0.00 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3i3s h TYR 71 Cb 1.06 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.80 3i3s h TYR 71 CO 0.09 0.44 0.00 -1.33 -1.05 0.00 0.00 178.16 176.31 3i3s n MET 72 N -4.03 0.19 -0.33 4.88 2.81 -0.79 -4.33 117.12 115.51 3i3s n MET 72 Ca -0.02 0.28 0.04 0.00 -1.81 0.00 0.00 57.70 56.19 3i3s n MET 72 Cb 0.46 -1.78 0.19 0.00 -0.71 0.00 0.00 33.22 31.38 3i3s n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i3s h ARG 73 N 0.00 0.94 -0.00 0.03 3.08 -1.42 -0.21 114.38 116.79 3i3s h ARG 73 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3i3s h ARG 73 Cb 0.52 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3i3s h ARG 73 CO 0.00 0.62 -0.01 0.25 -1.07 0.00 0.00 179.97 179.76 3i3s n THR 74 N -4.63 0.00 -1.73 2.04 -2.24 -1.26 -4.83 114.28 101.63 3i3s n THR 74 Ca 0.16 -0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 3i3s n THR 74 Cb 0.27 -0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.29 3i3s n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i3s n GLY 75 N 1.09 1.44 0.07 3.38 0.00 -0.09 -4.86 105.19 106.21 3i3s n GLY 75 Ca 0.21 0.56 0.02 0.00 0.00 0.00 0.00 46.02 46.81 3i3s n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i3s n GLU 76 N 3.21 0.65 -3.63 1.61 1.02 0.19 -4.99 120.64 118.70 3i3s n GLU 76 Ca 0.13 -0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.13 3i3s n GLU 76 Cb 0.35 -1.63 -0.06 0.00 -0.02 0.00 0.00 31.44 30.08 3i3s n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3i3s s GLY 77 N -4.84 -0.34 -0.05 0.62 0.00 -1.05 -4.22 107.32 97.44 3i3s s GLY 77 Ca -0.06 0.53 0.03 0.00 0.00 0.00 0.00 44.72 45.21 3i3s s GLY 77 CO 0.85 0.25 -0.13 -1.36 0.00 0.00 0.00 173.10 172.71 3i3s s PHE 78 N -2.14 1.38 -0.27 1.90 0.08 -0.61 -1.27 117.98 117.05 3i3s s PHE 78 Ca -0.07 -0.44 -0.17 0.00 0.12 0.00 0.00 56.93 56.38 3i3s s PHE 78 Cb -0.01 -0.98 -0.03 0.00 -0.57 0.00 0.00 43.02 41.43 3i3s s PHE 78 CO 0.00 -0.20 0.45 -0.51 -0.10 0.00 0.00 175.22 174.87 3i3s s LEU 79 N 0.36 4.07 -0.47 -0.37 1.43 0.08 -1.86 118.68 121.93 3i3s s LEU 79 Ca -0.08 0.38 -0.16 0.00 -1.03 0.00 0.00 54.13 53.23 3i3s s LEU 79 Cb -0.13 -2.56 0.06 0.00 0.03 0.00 0.00 46.19 43.60 3i3s s LEU 79 CO 0.02 -0.26 0.43 0.00 0.23 0.00 0.00 176.35 176.77 3i3s s VAL 81 N 1.86 4.26 0.34 0.00 1.01 -0.08 -0.91 120.40 126.87 3i3s s VAL 81 Ca 0.07 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 61.85 3i3s s VAL 81 Cb -0.22 -2.85 -0.06 0.00 0.00 0.00 0.00 36.38 33.25 3i3s s VAL 81 CO 0.09 0.53 0.06 0.72 0.00 0.00 0.00 175.10 176.49 3i3s s PHE 82 N -0.15 2.02 -0.11 5.22 -0.12 -0.38 -4.03 117.98 120.42 3i3s s PHE 82 Ca 0.05 -0.94 -0.02 0.00 -0.05 0.00 0.00 56.93 55.97 3i3s s PHE 82 Cb -0.13 -1.33 -0.03 0.00 -0.63 0.00 0.00 43.02 40.90 3i3s s PHE 82 CO 0.02 0.05 -0.03 0.00 -0.05 0.00 0.00 175.22 175.21 3i3s s ALA 83 N -3.24 3.10 -0.75 1.99 0.00 -1.26 -0.65 121.76 120.96 3i3s s ALA 83 Ca 0.36 -0.83 0.16 0.00 0.00 0.00 0.00 51.96 51.65 3i3s s ALA 83 Cb 0.09 -1.47 0.70 0.00 0.00 0.00 0.00 23.12 22.44 3i3s s ALA 83 CO 0.16 0.41 1.50 0.44 0.00 0.00 0.00 175.76 178.27 3i3s n ILE 84 N 2.79 1.09 -1.05 0.00 -6.64 -0.39 -1.52 119.36 113.65 3i3s n ILE 84 Ca -0.18 0.33 0.02 0.00 -1.77 0.00 0.00 62.75 61.15 3i3s n ILE 84 Cb 0.53 -1.20 0.30 0.00 -1.44 0.00 0.00 39.64 37.83 3i3s n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.77 0.00 0.00 176.55 174.32 3i3s n ASN 85 N -1.82 4.42 -3.39 7.28 6.94 -1.26 -0.78 115.26 126.66 3i3s n ASN 85 Ca 0.02 -3.15 -0.23 0.00 -0.02 0.00 0.00 54.58 51.20 3i3s n ASN 85 Cb 0.15 -0.65 -0.09 0.00 -2.36 0.00 0.00 39.78 36.83 3i3s n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3i3s s ASN 86 N -1.49 1.87 0.23 0.53 3.04 -0.57 -4.81 114.94 113.74 3i3s s ASN 86 Ca 0.49 -2.04 -0.06 0.00 0.04 0.00 0.00 52.86 51.29 3i3s s ASN 86 Cb 0.40 0.08 0.30 0.00 -1.54 0.00 0.00 41.25 40.49 3i3s s ASN 86 CO 0.11 -0.26 1.85 0.74 -3.04 0.00 0.00 177.10 176.49 3i3s h THR 87 N 4.97 1.04 -0.92 -5.21 2.02 -1.87 -1.74 112.91 111.20 3i3s h THR 87 Ca 0.08 -0.32 0.07 0.00 0.77 0.00 0.00 66.41 67.02 3i3s h THR 87 Cb 1.00 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.38 3i3s h THR 87 CO 0.24 0.17 0.59 0.50 0.37 0.00 0.00 175.52 177.39 3i3s h LYS 88 N 0.93 0.98 -0.20 6.66 1.63 -1.95 -0.99 116.57 123.63 3i3s h LYS 88 Ca 0.35 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 60.05 3i3s h LYS 88 Cb 0.15 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 3i3s h LYS 88 CO -0.16 0.65 -0.09 0.66 -3.45 0.00 0.00 179.45 177.05 3i3s h SER 89 N 1.01 0.30 -0.19 4.20 4.64 -1.65 0.08 113.55 121.94 3i3s h SER 89 Ca 0.41 -0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 61.57 3i3s h SER 89 Cb 0.26 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3i3s h SER 89 CO -0.16 0.43 -0.25 0.15 -0.87 0.00 0.00 176.83 176.13 3i3s h PHE 90 N 0.31 0.62 0.00 4.77 3.57 -1.21 -3.14 116.94 121.85 3i3s h PHE 90 Ca 0.06 -0.20 -0.02 0.00 3.53 0.00 0.00 57.97 61.34 3i3s h PHE 90 Cb 0.36 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 3i3s h PHE 90 CO 0.01 0.89 -0.09 0.93 -2.23 0.00 0.00 178.31 177.82 3i3s h GLU 91 N 0.16 0.00 0.00 1.11 5.08 -0.65 -2.24 114.58 118.04 3i3s h GLU 91 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3i3s h GLU 91 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3i3s h GLU 91 CO 0.06 0.09 0.00 -0.44 -1.00 0.00 0.00 179.01 177.72 3i3s h ASP 92 N 0.00 0.00 -0.96 1.42 3.32 -0.96 -3.36 116.42 115.88 3i3s h ASP 92 Ca -0.00 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.21 3i3s h ASP 92 Cb 0.17 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.63 3i3s h ASP 92 CO 0.01 0.00 0.61 0.40 -1.72 0.00 0.00 179.24 178.54 3i3s h ILE 93 N 0.00 0.80 -0.13 0.35 1.08 -1.37 -0.95 117.51 117.29 3i3s h ILE 93 Ca 0.00 -0.27 0.02 0.00 -0.39 0.00 0.00 64.86 64.23 3i3s h ILE 93 Cb 0.64 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.34 3i3s h ILE 93 CO 0.00 0.14 0.09 0.45 -0.69 0.00 0.00 178.15 178.14 3i3s h HIS 94 N 0.77 0.06 -0.75 1.37 3.86 -1.81 -0.60 115.15 118.05 3i3s h HIS 94 Ca 0.51 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.71 3i3s h HIS 94 Cb 0.76 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 29.18 3i3s h HIS 94 CO -0.00 0.04 0.45 1.96 0.86 0.00 0.00 177.93 181.24 3i3s h GLN 95 N 0.07 1.02 -0.14 2.45 4.20 -1.47 -1.55 115.11 119.69 3i3s h GLN 95 Ca 0.06 -0.09 -0.18 0.00 0.06 0.00 0.00 58.65 58.49 3i3s h GLN 95 Cb 0.14 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 27.72 3i3s h GLN 95 CO -0.01 0.73 -0.61 1.88 -0.67 0.00 0.00 178.83 180.15 3i3s h TYR 96 N 1.03 0.89 -0.84 2.96 0.05 -1.20 -1.40 116.97 118.46 3i3s h TYR 96 Ca 0.27 -0.38 0.02 0.00 0.05 0.00 0.00 58.73 58.69 3i3s h TYR 96 Cb -0.03 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 37.52 3i3s h TYR 96 CO -0.01 1.18 0.55 -0.09 -1.05 0.00 0.00 178.16 178.75 3i3s h ARG 97 N 0.34 1.08 -0.42 4.88 2.43 -1.14 -0.98 114.38 120.56 3i3s h ARG 97 Ca -0.03 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 58.96 3i3s h ARG 97 Cb 1.24 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 3i3s h ARG 97 CO 0.13 0.71 -0.16 0.93 -1.51 0.00 0.00 179.97 180.07 3i3s h GLU 98 N 1.11 0.85 -0.66 0.20 5.08 -1.08 -1.78 114.58 118.30 3i3s h GLU 98 Ca 0.31 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3i3s h GLU 98 Cb -0.09 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 3i3s h GLU 98 CO -0.08 0.99 0.41 0.37 -1.00 0.00 0.00 179.01 179.70 3i3s h GLN 99 N 0.67 0.89 -0.15 2.33 4.15 -0.91 -1.52 115.11 120.57 3i3s h GLN 99 Ca 0.10 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 3i3s h GLN 99 Cb 0.71 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 3i3s h GLN 99 CO 0.05 0.63 0.09 0.82 -1.93 0.00 0.00 178.83 178.49 3i3s h ILE 100 N 0.90 1.08 -0.91 2.39 2.04 -1.02 -0.27 117.51 121.72 3i3s h ILE 100 Ca 0.24 -0.20 0.08 0.00 1.00 0.00 0.00 64.86 65.98 3i3s h ILE 100 Cb -0.04 0.93 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 3i3s h ILE 100 CO -0.05 0.07 0.56 0.11 0.00 0.00 0.00 178.15 178.85 3i3s h LYS 101 N 0.17 0.96 -0.06 2.37 1.57 -1.15 -0.64 116.57 119.79 3i3s h LYS 101 Ca 0.05 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3i3s h LYS 101 Cb 0.04 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 3i3s h LYS 101 CO -0.01 0.63 0.02 0.00 -0.57 0.00 0.00 179.45 179.52 3i3s h ARG 102 N 0.99 0.09 -0.09 3.15 3.08 -0.82 0.15 114.38 120.93 3i3s h ARG 102 Ca 0.41 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.36 3i3s h ARG 102 Cb 0.25 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 3i3s h ARG 102 CO -0.20 0.25 -0.32 -0.39 -1.07 0.00 0.00 179.97 178.23 3i3s h VAL 103 N -0.09 1.26 -0.00 2.04 -1.51 -0.56 -2.64 116.25 114.74 3i3s h VAL 103 Ca 0.02 -1.24 0.00 0.00 -1.23 0.00 0.00 66.70 64.24 3i3s h VAL 103 Cb 0.20 1.56 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 3i3s h VAL 103 CO -0.00 0.37 -0.87 0.29 -1.23 0.00 0.00 177.57 176.13 3i3s n LYS 104 N -4.12 0.13 -4.01 5.19 4.76 -0.29 -4.83 118.16 114.99 3i3s n LYS 104 Ca -0.01 -0.10 -0.28 0.00 -2.87 0.00 0.00 58.31 55.04 3i3s n LYS 104 Cb 0.40 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.06 3i3s n LYS 104 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3i3s n ASP 105 N -1.35 -0.69 -3.69 4.39 2.03 0.48 -4.97 116.55 112.75 3i3s n ASP 105 Ca 0.05 -1.08 -0.15 0.00 0.52 0.00 0.00 54.79 54.14 3i3s n ASP 105 Cb 0.34 -2.72 -0.08 0.00 -0.72 0.00 0.00 41.12 37.94 3i3s n ASP 105 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3i3s s SER 106 N -4.25 -0.36 0.00 1.67 0.15 -1.03 -5.04 113.70 104.83 3i3s s SER 106 Ca 0.07 0.40 0.26 0.00 0.70 0.00 0.00 55.95 57.38 3i3s s SER 106 Cb -0.03 0.48 0.55 0.00 -1.71 0.00 0.00 66.02 65.31 3i3s s SER 106 CO 0.91 -0.44 1.45 0.47 1.20 0.00 0.00 173.24 176.84 3i3s n ASP 107 N 1.46 2.09 -3.51 5.45 8.00 -1.26 -4.47 116.55 124.31 3i3s n ASP 107 Ca -0.19 -1.62 -0.27 0.00 0.71 0.00 0.00 54.79 53.41 3i3s n ASP 107 Cb 0.56 0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.64 3i3s n ASP 107 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3i3s n ASP 108 N 0.51 1.45 -4.35 -2.24 2.03 -1.26 -5.08 116.55 107.61 3i3s n ASP 108 Ca 0.15 -2.88 -0.33 0.00 0.52 0.00 0.00 54.79 52.25 3i3s n ASP 108 Cb 0.46 -0.65 -0.15 0.00 -0.72 0.00 0.00 41.12 40.07 3i3s n ASP 108 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3i3s s VAL 109 N -1.10 2.92 0.14 5.18 1.01 -1.26 -5.09 120.40 122.20 3i3s s VAL 109 Ca 0.32 -0.71 -0.34 0.00 0.00 0.00 0.00 61.98 61.26 3i3s s VAL 109 Cb 0.06 -2.21 -0.13 0.00 0.00 0.00 0.00 36.38 34.09 3i3s s VAL 109 CO -0.14 0.53 1.63 -2.65 0.00 0.00 0.00 175.10 174.47 3i3s n PRO 110 N 3.52 2.25 -3.66 2.72 -0.02 -1.26 -4.95 135.00 133.60 3i3s n PRO 110 Ca -0.18 0.81 -0.14 0.00 -2.02 0.00 0.00 63.50 61.98 3i3s n PRO 110 Cb 0.53 -2.61 -0.07 0.00 -0.02 0.00 0.00 33.50 31.34 3i3s n PRO 110 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3i3s s MET 111 N 1.30 0.89 -0.02 -0.52 1.75 -1.26 -1.57 119.30 119.87 3i3s s MET 111 Ca 0.80 -0.24 0.02 0.00 -1.25 0.00 0.00 55.69 55.02 3i3s s MET 111 Cb -0.65 0.40 0.00 0.00 2.84 0.00 0.00 34.83 37.43 3i3s s MET 111 CO 0.38 -0.29 -0.07 0.08 -0.65 0.00 0.00 175.02 174.47 3i3s s VAL 112 N -2.06 0.64 -0.17 10.11 1.01 -0.78 -4.38 120.40 124.78 3i3s s VAL 112 Ca -0.08 -0.29 -0.21 0.00 0.00 0.00 0.00 61.98 61.41 3i3s s VAL 112 Cb -0.02 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 3i3s s VAL 112 CO 0.01 0.21 0.61 -0.22 0.00 0.00 0.00 175.10 175.70 3i3s s LEU 113 N 0.20 4.19 -0.16 3.92 2.96 -0.37 -1.17 118.68 128.24 3i3s s LEU 113 Ca -0.03 0.87 0.01 0.00 -0.22 0.00 0.00 54.13 54.76 3i3s s LEU 113 Cb -0.08 -2.88 0.01 0.00 0.50 0.00 0.00 46.19 43.75 3i3s s LEU 113 CO 0.00 -0.20 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.96 3i3s s VAL 114 N 1.55 2.35 -0.50 1.68 1.01 -0.09 -1.38 120.40 125.02 3i3s s VAL 114 Ca 0.29 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 3i3s s VAL 114 Cb -0.16 -1.98 0.10 0.00 0.00 0.00 0.00 36.38 34.33 3i3s s VAL 114 CO 0.11 0.53 0.43 -0.83 0.00 0.00 0.00 175.10 175.34 3i3s s GLY 115 N 1.02 2.06 0.50 4.51 0.00 -0.70 -1.25 107.32 113.45 3i3s s GLY 115 Ca -0.02 -2.30 0.02 0.00 0.00 0.00 0.00 44.72 42.42 3i3s s GLY 115 CO -0.05 1.11 0.71 0.21 0.00 0.00 0.00 173.10 175.08 3i3s s ASN 116 N 2.99 5.50 -0.72 1.64 2.47 0.18 -1.10 114.94 125.89 3i3s s ASN 116 Ca 0.04 0.01 -0.02 0.00 0.42 0.00 0.00 52.86 53.30 3i3s s ASN 116 Cb -0.27 -1.03 0.00 0.00 -1.45 0.00 0.00 41.25 38.50 3i3s s ASN 116 CO 0.05 -0.95 0.25 0.29 -3.72 0.00 0.00 177.10 173.01 3i3s n LYS 117 N -2.18 -2.06 0.00 0.43 5.02 -0.63 -1.26 118.16 117.48 3i3s n LYS 117 Ca 0.06 0.42 0.11 0.00 -2.02 0.00 0.00 58.31 56.88 3i3s n LYS 117 Cb 0.59 -4.27 0.66 0.00 -0.02 0.00 0.00 35.03 31.98 3i3s n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i3s h ASP 119 N 0.00 0.00 -3.62 0.00 2.03 -1.92 -3.46 116.42 109.45 3i3s h ASP 119 Ca 0.00 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 55.79 3i3s h ASP 119 Cb 0.00 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 3i3s h ASP 119 CO 0.00 0.01 0.11 -0.76 -1.03 0.00 0.00 179.24 177.58 3i3s s LEU 120 N -6.21 4.27 0.07 0.15 1.43 -0.55 -5.00 118.68 112.83 3i3s s LEU 120 Ca 0.03 1.40 0.23 0.00 -1.03 0.00 0.00 54.13 54.76 3i3s s LEU 120 Cb 0.07 -3.74 0.11 0.00 0.03 0.00 0.00 46.19 42.67 3i3s s LEU 120 CO 0.60 -0.04 1.08 0.00 0.23 0.00 0.00 176.35 178.23 3i3s n ALA 121 N 0.42 3.22 -1.48 4.21 0.00 -1.26 -4.44 120.51 121.19 3i3s n ALA 121 Ca -0.01 -0.36 -0.32 0.00 0.00 0.00 0.00 53.44 52.75 3i3s n ALA 121 Cb 0.52 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 3i3s n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i3s n ALA 122 N -1.86 6.96 -2.28 0.00 0.00 -1.26 -4.95 120.51 117.12 3i3s n ALA 122 Ca 0.02 -3.29 -0.42 0.00 0.00 0.00 0.00 53.44 49.75 3i3s n ALA 122 Cb 0.45 -2.81 -0.03 0.00 0.00 0.00 0.00 19.45 17.06 3i3s n ALA 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3i3s s ARG 123 N 0.39 4.34 -0.00 0.00 3.52 -1.26 -4.25 118.95 121.69 3i3s s ARG 123 Ca 0.63 1.92 0.01 0.00 -0.13 0.00 0.00 55.73 58.16 3i3s s ARG 123 Cb 0.24 -3.43 -0.02 0.00 -1.56 0.00 0.00 34.95 30.18 3i3s s ARG 123 CO -0.08 -0.45 0.06 0.25 -0.81 0.00 0.00 175.30 174.27 3i3s n THR 124 N 4.29 0.00 -3.82 4.11 -2.24 0.04 -4.93 114.28 111.73 3i3s n THR 124 Ca 0.11 -0.44 -0.37 0.00 -2.27 0.00 0.00 64.05 61.09 3i3s n THR 124 Cb 0.44 0.97 -0.13 0.00 -2.10 0.00 0.00 70.33 69.51 3i3s n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i3s s VAL 125 N -1.19 3.48 0.44 2.28 1.01 -0.73 -4.89 120.40 120.81 3i3s s VAL 125 Ca 0.01 -1.15 -0.22 0.00 0.00 0.00 0.00 61.98 60.61 3i3s s VAL 125 Cb 0.01 -2.95 -0.09 0.00 0.00 0.00 0.00 36.38 33.35 3i3s s VAL 125 CO 0.06 -0.10 1.03 -1.61 0.00 0.00 0.00 175.10 174.48 3i3s s GLU 126 N 1.36 4.00 0.24 2.72 0.41 -1.26 -4.90 118.70 121.27 3i3s s GLU 126 Ca -0.02 1.39 -0.06 0.00 -0.41 0.00 0.00 54.97 55.87 3i3s s GLU 126 Cb -0.19 -2.28 0.44 0.00 -1.78 0.00 0.00 34.13 30.31 3i3s s GLU 126 CO 0.01 -0.27 1.68 1.03 -0.49 0.00 0.00 175.26 177.22 3i3s h SER 127 N 1.97 -0.03 -0.69 -0.19 0.87 -2.00 -1.58 113.55 111.91 3i3s h SER 127 Ca -0.49 0.15 0.02 0.00 -1.23 0.00 0.00 61.79 60.24 3i3s h SER 127 Cb 1.21 0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 63.34 3i3s h SER 127 CO 0.61 -0.05 0.45 -0.09 -0.53 0.00 0.00 176.83 177.22 3i3s h ARG 128 N 0.25 0.84 -0.47 2.24 9.65 -1.99 0.41 114.38 125.31 3i3s h ARG 128 Ca 0.40 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.23 3i3s h ARG 128 Cb 0.68 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 29.05 3i3s h ARG 128 CO -0.51 0.55 0.31 1.96 2.80 0.00 0.00 179.97 185.08 3i3s h GLN 129 N 0.86 0.62 -0.15 0.20 4.20 -1.67 -1.67 115.11 117.50 3i3s h GLN 129 Ca 0.27 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.76 3i3s h GLN 129 Cb 0.00 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 3i3s h GLN 129 CO -0.07 0.42 -0.62 0.00 -0.67 0.00 0.00 178.83 177.88 3i3s h ALA 130 N 1.17 0.63 -0.77 3.87 0.00 -1.21 -2.56 119.26 120.39 3i3s h ALA 130 Ca 0.17 -0.55 0.05 0.00 0.00 0.00 0.00 54.91 54.58 3i3s h ALA 130 Cb -0.07 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 3i3s h ALA 130 CO -0.04 0.71 0.47 1.96 0.00 0.00 0.00 179.25 182.35 3i3s h GLN 131 N 0.39 0.86 -0.63 0.00 4.20 -0.75 -0.65 115.11 118.53 3i3s h GLN 131 Ca -0.01 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.57 3i3s h GLN 131 Cb 1.19 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.75 3i3s h GLN 131 CO 0.12 0.57 0.08 -0.44 -0.67 0.00 0.00 178.83 178.48 3i3s h ASP 132 N 0.88 1.02 -0.11 1.46 3.45 -1.14 0.13 116.42 122.10 3i3s h ASP 132 Ca 0.32 -0.25 -0.02 0.00 0.43 0.00 0.00 57.03 57.51 3i3s h ASP 132 Cb 0.11 -0.27 -0.00 0.00 -0.56 0.00 0.00 39.33 38.61 3i3s h ASP 132 CO -0.15 1.02 -0.01 0.25 -1.57 0.00 0.00 179.24 178.78 3i3s h LEU 133 N 0.98 0.21 -0.77 1.55 5.85 -1.02 -2.47 115.31 119.64 3i3s h LEU 133 Ca 0.19 -0.34 0.06 0.00 0.84 0.00 0.00 57.88 58.64 3i3s h LEU 133 Cb 0.46 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 3i3s h LEU 133 CO 0.02 0.50 0.45 0.00 -0.34 0.00 0.00 178.44 179.07 3i3s h ALA 134 N 0.72 1.05 -0.88 1.25 0.00 -1.01 -2.01 119.26 118.38 3i3s h ALA 134 Ca 0.03 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3i3s h ALA 134 Cb 0.40 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3i3s h ALA 134 CO 0.01 0.15 0.56 -0.09 0.00 0.00 0.00 179.25 179.88 3i3s h ARG 135 N 0.82 1.03 -0.03 0.00 2.43 -0.87 -0.90 114.38 116.86 3i3s h ARG 135 Ca 0.34 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 3i3s h ARG 135 Cb 0.20 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3i3s h ARG 135 CO -0.18 0.68 -0.13 0.66 -1.51 0.00 0.00 179.97 179.49 3i3s h SER 136 N 1.06 0.04 0.67 -3.80 4.64 -0.90 -2.06 113.55 113.20 3i3s h SER 136 Ca 0.36 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3i3s h SER 136 Cb 0.08 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3i3s h SER 136 CO -0.14 0.18 -0.45 -1.22 -0.87 0.00 0.00 176.83 174.32 3i3s n TYR 137 N -4.36 0.15 -2.36 4.77 4.01 -0.69 -4.96 117.16 113.71 3i3s n TYR 137 Ca -0.02 0.04 -0.08 0.00 -0.16 0.00 0.00 57.90 57.68 3i3s n TYR 137 Cb 0.21 -0.39 0.01 0.00 -0.31 0.00 0.00 39.34 38.86 3i3s n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i3s n GLY 138 N 1.46 0.15 3.27 2.72 0.00 -0.43 -5.05 105.19 107.31 3i3s n GLY 138 Ca 0.05 -0.50 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 3i3s n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i3s s ILE 139 N -2.60 1.31 0.58 -0.61 -4.36 -0.68 -5.03 121.20 109.82 3i3s s ILE 139 Ca 0.06 -2.07 -0.18 0.00 -0.26 0.00 0.00 60.65 58.20 3i3s s ILE 139 Cb -0.03 -1.87 -0.04 0.00 1.25 0.00 0.00 42.46 41.78 3i3s s ILE 139 CO 0.08 -0.69 1.11 -2.84 0.24 0.00 0.00 174.94 172.84 3i3s s PRO 140 N -3.64 3.20 -0.14 0.37 0.02 -1.26 -4.20 135.00 129.35 3i3s s PRO 140 Ca 0.17 1.51 -0.01 0.00 0.02 0.00 0.00 61.00 62.69 3i3s s PRO 140 Cb 0.01 -1.99 -0.02 0.00 0.02 0.00 0.00 34.50 32.52 3i3s s PRO 140 CO 0.02 -0.95 -0.10 -0.47 -0.33 0.00 0.00 177.00 175.17 3i3s s TYR 141 N -2.00 2.89 -0.03 6.54 5.04 -1.26 -1.24 117.35 127.29 3i3s s TYR 141 Ca 0.70 -0.55 0.01 0.00 -2.44 0.00 0.00 57.07 54.80 3i3s s TYR 141 Cb -0.22 -1.89 0.02 0.00 0.35 0.00 0.00 41.96 40.21 3i3s s TYR 141 CO 0.32 -0.17 -0.04 0.42 -1.34 0.00 0.00 175.55 174.73 3i3s s ILE 142 N 0.40 0.47 0.10 3.14 1.01 -0.48 -5.00 121.20 120.84 3i3s s ILE 142 Ca -0.08 -0.13 -0.13 0.00 0.00 0.00 0.00 60.65 60.31 3i3s s ILE 142 Cb -0.15 -0.48 -0.06 0.00 0.01 0.00 0.00 42.46 41.78 3i3s s ILE 142 CO 0.04 0.19 0.48 -1.61 0.00 0.00 0.00 174.94 174.05 3i3s s GLU 143 N 0.63 3.91 0.09 2.79 2.02 -1.26 -1.73 118.70 125.14 3i3s s GLU 143 Ca -0.08 0.39 0.02 0.00 0.02 0.00 0.00 54.97 55.32 3i3s s GLU 143 Cb -0.11 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 31.07 3i3s s GLU 143 CO -0.00 0.54 -0.06 0.95 0.02 0.00 0.00 175.26 176.71 3i3s s THR 144 N -1.38 0.63 -0.15 3.63 -4.23 -0.26 -4.33 115.64 109.55 3i3s s THR 144 Ca 0.34 -1.80 -0.01 0.00 -1.18 0.00 0.00 61.69 59.03 3i3s s THR 144 Cb -0.15 -1.52 0.04 0.00 1.34 0.00 0.00 72.50 72.22 3i3s s THR 144 CO 0.18 -0.82 -0.01 -0.55 -0.54 0.00 0.00 174.62 172.88 3i3s s SER 145 N -2.83 2.56 0.54 3.99 0.15 0.06 -1.41 113.70 116.76 3i3s s SER 145 Ca 0.08 -0.57 0.27 0.00 0.70 0.00 0.00 55.95 56.44 3i3s s SER 145 Cb 0.03 -0.71 1.53 0.00 -1.71 0.00 0.00 66.02 65.17 3i3s s SER 145 CO -0.04 -0.22 2.12 0.00 1.20 0.00 0.00 173.24 176.29 3i3s h ALA 146 N 8.20 1.37 -0.03 5.45 0.00 -1.89 0.20 119.26 132.57 3i3s h ALA 146 Ca -0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3i3s h ALA 146 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3i3s h ALA 146 CO 0.35 0.11 -0.07 -0.22 0.00 0.00 0.00 179.25 179.42 3i3s h LYS 147 N 0.00 0.10 0.00 0.00 3.64 -1.94 -3.35 116.57 115.01 3i3s h LYS 147 Ca -0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3i3s h LYS 147 Cb 0.24 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3i3s h LYS 147 CO 0.01 0.66 -0.94 0.25 -2.27 0.00 0.00 179.45 177.16 3i3s n THR 148 N -4.71 0.07 -0.49 1.00 -2.24 -1.20 -4.86 114.28 101.85 3i3s n THR 148 Ca -0.08 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3i3s n THR 148 Cb 0.34 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 3i3s n THR 148 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i3s n ARG 149 N -1.72 0.00 -1.66 -0.78 1.74 0.05 -5.02 116.66 109.28 3i3s n ARG 149 Ca 0.03 0.00 -0.54 0.00 -0.77 0.00 0.00 57.85 56.57 3i3s n ARG 149 Cb 0.38 -1.86 -0.06 0.00 -1.02 0.00 0.00 32.46 29.90 3i3s n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3i3s n GLN 150 N -2.00 1.26 -0.42 5.56 -0.06 -1.17 -2.17 117.38 118.38 3i3s n GLN 150 Ca 0.00 0.46 0.00 0.00 -2.00 0.00 0.00 57.00 55.46 3i3s n GLN 150 Cb 0.00 -2.14 0.00 0.00 -4.06 0.00 0.00 30.24 24.04 3i3s n GLN 150 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3i3s n GLY 151 N 3.47 1.34 0.13 1.69 0.00 -1.26 -0.76 105.19 109.80 3i3s n GLY 151 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 3i3s n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i3s h VAL 152 N 0.00 0.92 -0.80 1.61 2.07 -1.73 0.46 116.25 118.78 3i3s h VAL 152 Ca 0.00 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 3i3s h VAL 152 Cb 0.00 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 3i3s h VAL 152 CO 0.00 0.12 0.41 -0.08 0.02 0.00 0.00 177.57 178.04 3i3s h GLU 153 N -0.50 1.14 -0.74 1.57 4.81 -1.90 -2.69 114.58 116.26 3i3s h GLU 153 Ca -0.02 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.08 3i3s h GLU 153 Cb 0.39 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.51 3i3s h GLU 153 CO 0.04 0.86 0.47 -0.44 -0.73 0.00 0.00 179.01 179.21 3i3s h ASP 154 N 1.13 0.78 0.09 1.04 3.32 -1.87 0.12 116.42 121.02 3i3s h ASP 154 Ca 0.28 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 3i3s h ASP 154 Cb 0.08 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3i3s h ASP 154 CO -0.04 0.54 -0.04 0.00 -1.72 0.00 0.00 179.24 177.98 3i3s h ALA 155 N 1.31 -0.12 -0.04 3.45 0.00 -0.60 -1.51 119.26 121.76 3i3s h ALA 155 Ca 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3i3s h ALA 155 Cb 0.01 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3i3s h ALA 155 CO -0.11 -0.50 -0.02 0.74 0.00 0.00 0.00 179.25 179.36 3i3s h PHE 156 N -0.25 0.10 0.00 0.00 -1.00 -1.28 -2.49 116.94 112.02 3i3s h PHE 156 Ca -0.01 -0.03 -0.08 0.00 2.81 0.00 0.00 57.97 60.66 3i3s h PHE 156 Cb 0.21 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 3i3s h PHE 156 CO -0.03 0.49 -0.39 1.88 -1.61 0.00 0.00 178.31 178.66 3i3s h TYR 157 N -0.33 0.00 0.00 -0.55 0.05 -0.80 -2.24 116.97 113.10 3i3s h TYR 157 Ca 0.01 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.71 3i3s h TYR 157 Cb 0.47 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 3i3s h TYR 157 CO 0.07 0.39 -0.38 1.15 -1.05 0.00 0.00 178.16 178.34 3i3s h THR 158 N 0.00 1.07 0.00 -2.88 2.02 -1.24 0.02 112.91 111.90 3i3s h THR 158 Ca -0.00 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.79 3i3s h THR 158 Cb 0.72 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 3i3s h THR 158 CO 0.05 0.37 0.00 0.25 0.37 0.00 0.00 175.52 176.56 3i3s h LEU 159 N 0.00 0.00 0.21 2.58 5.85 -0.93 -2.48 115.31 120.53 3i3s h LEU 159 Ca -0.00 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.37 3i3s h LEU 159 Cb 0.76 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.81 3i3s h LEU 159 CO 0.05 0.00 -1.66 0.58 -0.34 0.00 0.00 178.44 177.07 3i3s h VAL 160 N 0.00 1.04 0.00 1.05 2.07 -0.75 -1.80 116.25 117.86 3i3s h VAL 160 Ca 0.00 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 64.96 3i3s h VAL 160 Cb 0.48 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 3i3s h VAL 160 CO 0.00 0.84 0.00 0.54 0.02 0.00 0.00 177.57 178.97 3i3s n ARG 161 N -3.65 0.02 -0.13 1.57 1.74 -0.73 -0.80 116.66 114.69 3i3s n ARG 161 Ca -0.22 0.36 -0.27 0.00 -0.77 0.00 0.00 57.85 56.94 3i3s n ARG 161 Cb 1.08 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.91 3i3s n ARG 161 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3i3s n GLU 162 N -1.43 0.59 0.10 5.56 -0.58 -0.97 -3.98 120.64 119.93 3i3s n GLU 162 Ca 0.02 0.34 -0.13 0.00 -0.42 0.00 0.00 57.16 56.96 3i3s n GLU 162 Cb 0.05 -1.56 -0.08 0.00 -0.57 0.00 0.00 31.44 29.27 3i3s n GLU 162 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3i3s h ILE 163 N -0.91 0.93 -0.53 -3.67 2.04 -0.37 -2.29 117.51 112.70 3i3s h ILE 163 Ca -0.60 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.73 3i3s h ILE 163 Cb 1.57 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.86 3i3s h ILE 163 CO -0.34 0.12 0.31 0.08 0.00 0.00 0.00 178.15 178.32 3i3s h ARG 164 N -0.49 0.72 0.00 2.37 0.11 -1.23 -2.69 114.38 113.16 3i3s h ARG 164 Ca -0.02 -0.06 -0.15 0.00 0.10 0.00 0.00 59.98 59.84 3i3s h ARG 164 Cb 0.38 -0.15 -0.02 0.00 1.11 0.00 0.00 29.97 31.28 3i3s h ARG 164 CO 0.04 0.52 -0.73 1.96 0.10 0.00 0.00 179.97 181.86 3i3s h GLN 165 N 0.73 0.00 0.00 0.08 1.08 -1.68 -3.51 115.11 111.82 3i3s h GLN 165 Ca 0.19 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 3i3s h GLN 165 Cb -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 3i3s h GLN 165 CO -0.03 0.73 0.00 1.58 -0.95 0.00 0.00 178.83 180.15