#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1r s GLU 2 N 0.00 0.73 -0.40 2.12 0.41 -1.26 -2.06 118.70 118.24 3i1r s GLU 2 Ca 0.00 -0.85 0.03 0.00 -0.41 0.00 0.00 54.97 53.73 3i1r s GLU 2 Cb 0.00 -0.67 0.12 0.00 -1.78 0.00 0.00 34.13 31.80 3i1r s GLU 2 CO 0.00 0.15 0.16 -0.51 -0.49 0.00 0.00 175.26 174.56 3i1r s LEU 3 N -1.57 3.64 -0.43 1.80 1.43 -1.26 -4.84 118.68 117.44 3i1r s LEU 3 Ca -0.04 -2.37 -0.39 0.00 -1.03 0.00 0.00 54.13 50.30 3i1r s LEU 3 Cb -0.10 -1.33 -0.15 0.00 0.03 0.00 0.00 46.19 44.64 3i1r s LEU 3 CO 0.02 -0.32 2.17 0.52 0.23 0.00 0.00 176.35 178.97 3i1r n VAL 4 N 3.93 0.09 -1.83 -1.59 0.31 -1.26 -2.69 118.33 115.29 3i1r n VAL 4 Ca 0.04 -0.13 -0.21 0.00 -0.01 0.00 0.00 64.34 64.03 3i1r n VAL 4 Cb 0.38 -1.07 -0.07 0.00 -0.91 0.00 0.00 33.84 32.16 3i1r n VAL 4 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3i1r s LEU 5 N 6.73 2.91 0.00 7.52 1.43 -1.26 -4.62 118.68 131.39 3i1r s LEU 5 Ca 1.15 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 3i1r s LEU 5 Cb -1.17 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 42.48 3i1r s LEU 5 CO 0.57 -3.50 0.00 1.17 0.23 0.00 0.00 176.35 174.82 3i1r n LYS 6 N 8.62 0.00 -0.04 1.70 4.81 -0.60 -2.33 118.16 130.32 3i1r n LYS 6 Ca 0.43 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.84 3i1r n LYS 6 Cb 0.46 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.49 3i1r n LYS 6 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3i1r n ASP 7 N 0.39 0.86 -4.29 3.14 3.85 -1.26 -4.80 116.55 114.44 3i1r n ASP 7 Ca 0.00 0.21 -0.09 0.00 -0.71 0.00 0.00 54.79 54.20 3i1r n ASP 7 Cb 0.00 -0.62 -0.07 0.00 -1.35 0.00 0.00 41.12 39.08 3i1r n ASP 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i1r n ALA 8 N -3.27 0.33 -1.63 2.12 0.00 -0.99 -4.78 120.51 112.30 3i1r n ALA 8 Ca -0.06 -1.71 -0.64 0.00 0.00 0.00 0.00 53.44 51.04 3i1r n ALA 8 Cb 0.21 -2.13 -0.10 0.00 0.00 0.00 0.00 19.45 17.43 3i1r n ALA 8 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3i1r n GLN 9 N 6.55 0.00 0.00 0.00 -0.06 -1.26 -4.60 117.38 118.00 3i1r n GLN 9 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.24 3i1r n GLN 9 Cb 0.47 -1.43 0.00 0.00 -4.06 0.00 0.00 30.24 25.22 3i1r n GLN 9 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 3i1r n SER 10 N 4.11 0.00 -1.50 1.69 2.88 -1.26 -4.99 113.62 114.54 3i1r n SER 10 Ca 0.32 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 3i1r n SER 10 Cb -0.06 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 3i1r n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i1r n ALA 11 N -1.28 -2.06 -0.09 -1.46 0.00 -1.25 -4.93 120.51 109.43 3i1r n ALA 11 Ca 0.00 0.40 -0.10 0.00 0.00 0.00 0.00 53.44 53.75 3i1r n ALA 11 Cb 0.00 -1.31 -0.14 0.00 0.00 0.00 0.00 19.45 18.00 3i1r n ALA 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1r n LEU 12 N -0.21 0.24 -1.79 0.00 -0.00 -1.09 -4.82 117.00 109.32 3i1r n LEU 12 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 56.01 55.99 3i1r n LEU 12 Cb 0.00 0.35 -0.01 0.00 -0.00 0.00 0.00 43.42 43.76 3i1r n LEU 12 CO 0.00 0.49 -0.27 0.41 -0.00 0.00 0.00 177.39 178.02 3i1r n THR 13 N -2.72 -7.70 -4.36 1.96 -1.04 -1.26 -4.90 114.28 94.26 3i1r n THR 13 Ca -0.31 1.49 -0.18 0.00 -2.04 0.00 0.00 64.05 63.01 3i1r n THR 13 Cb 1.09 -4.69 -0.10 0.00 -1.82 0.00 0.00 70.33 64.80 3i1r n THR 13 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3i1r s VAL 14 N -0.30 0.88 -0.24 12.58 -7.23 -0.88 -4.98 120.40 120.23 3i1r s VAL 14 Ca -0.05 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 57.82 3i1r s VAL 14 Cb 0.00 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 3i1r s VAL 14 CO 0.14 -0.12 1.76 -0.44 -0.31 0.00 0.00 175.10 176.13 3i1r s SER 15 N -3.35 6.12 0.62 4.85 0.01 -1.26 -4.67 113.70 116.01 3i1r s SER 15 Ca 0.34 1.60 0.31 0.00 1.31 0.00 0.00 55.95 59.51 3i1r s SER 15 Cb 0.07 -2.53 1.71 0.00 0.21 0.00 0.00 66.02 65.49 3i1r s SER 15 CO 0.12 -1.48 2.06 -0.08 0.41 0.00 0.00 173.24 174.28 3i1r h GLU 16 N 11.91 0.00 0.00 12.44 4.81 -1.96 0.12 114.58 141.90 3i1r h GLU 16 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 3i1r h GLU 16 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3i1r h GLU 16 CO 1.00 0.00 0.00 1.79 -0.73 0.00 0.00 179.01 181.07 3i1r h THR 17 N 0.00 0.00 0.00 0.32 1.35 -1.90 -0.39 112.91 112.30 3i1r h THR 17 Ca 0.08 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3i1r h THR 17 Cb 0.58 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3i1r h THR 17 CO -0.00 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.62 3i1r n THR 18 N -2.63 0.62 -0.13 6.82 -2.24 -0.01 -4.46 114.28 112.24 3i1r n THR 18 Ca 0.04 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 3i1r n THR 18 Cb 0.39 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 3i1r n THR 18 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3i1r n PHE 19 N -0.31 0.00 -2.56 4.78 3.72 -0.95 -4.25 117.46 117.89 3i1r n PHE 19 Ca 0.00 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.43 3i1r n PHE 19 Cb 0.24 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.81 3i1r n PHE 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i1r n GLY 20 N 0.01 1.15 3.90 1.37 0.00 -0.16 -4.46 105.19 107.00 3i1r n GLY 20 Ca 0.00 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.86 3i1r n GLY 20 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i1r s ARG 21 N -0.77 3.63 0.61 1.61 1.70 -1.19 -4.89 118.95 119.66 3i1r s ARG 21 Ca 0.32 0.15 -0.18 0.00 -0.47 0.00 0.00 55.73 55.56 3i1r s ARG 21 Cb 0.37 -2.50 -0.02 0.00 -0.57 0.00 0.00 34.95 32.22 3i1r s ARG 21 CO -0.14 0.02 1.17 -0.51 -1.08 0.00 0.00 175.30 174.76 3i1r s ASP 22 N -3.51 5.16 -0.37 -2.89 1.01 -1.26 -4.75 116.67 110.06 3i1r s ASP 22 Ca 0.47 2.27 -0.26 0.00 0.71 0.00 0.00 52.55 55.74 3i1r s ASP 22 Cb -0.10 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.26 3i1r s ASP 22 CO 0.35 -1.61 0.91 0.12 0.21 0.00 0.00 175.17 175.16 3i1r s PHE 23 N -1.81 3.07 -1.23 4.23 5.36 -1.26 -4.88 117.98 121.46 3i1r s PHE 23 Ca 0.74 0.73 -0.10 0.00 -0.96 0.00 0.00 56.93 57.35 3i1r s PHE 23 Cb -0.27 -3.64 0.19 0.00 -0.34 0.00 0.00 43.02 38.96 3i1r s PHE 23 CO 0.35 -0.83 1.71 -1.71 -1.46 0.00 0.00 175.22 173.27 3i1r n ASN 24 N 6.76 5.31 -0.34 6.13 4.05 -1.26 -4.84 115.26 131.07 3i1r n ASN 24 Ca 0.07 -3.12 0.10 0.00 0.45 0.00 0.00 54.58 52.08 3i1r n ASN 24 Cb 0.48 -1.47 0.21 0.00 1.23 0.00 0.00 39.78 40.24 3i1r n ASN 24 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 3i1r n GLU 25 N 3.85 -0.08 0.14 1.20 2.13 -1.26 -1.52 120.64 125.10 3i1r n GLU 25 Ca 0.37 1.45 -0.16 0.00 0.66 0.00 0.00 57.16 59.48 3i1r n GLU 25 Cb 0.37 -2.25 -0.09 0.00 0.27 0.00 0.00 31.44 29.74 3i1r n GLU 25 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i1r h ALA 26 N 1.91 -0.97 0.17 4.31 0.00 -2.00 0.96 119.26 123.64 3i1r h ALA 26 Ca 0.52 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.33 3i1r h ALA 26 Cb 0.96 0.84 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 3i1r h ALA 26 CO -0.94 -1.11 -0.29 1.25 0.00 0.00 0.00 179.25 178.17 3i1r h LEU 27 N -0.77 -0.81 -0.86 0.00 5.85 -1.70 -2.12 115.31 114.90 3i1r h LEU 27 Ca -0.01 0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.92 3i1r h LEU 27 Cb 0.76 0.30 -0.08 0.00 0.37 0.00 0.00 40.66 42.01 3i1r h LEU 27 CO -0.25 -0.39 0.49 1.62 -0.34 0.00 0.00 178.44 179.57 3i1r h VAL 28 N -0.54 0.85 0.04 1.05 3.04 -1.03 -0.81 116.25 118.86 3i1r h VAL 28 Ca 0.02 -0.26 0.03 0.00 -1.01 0.00 0.00 66.70 65.47 3i1r h VAL 28 Cb 0.54 0.02 -0.04 0.00 -2.01 0.00 0.00 31.29 29.79 3i1r h VAL 28 CO -0.14 0.14 -0.27 -0.74 -1.01 0.00 0.00 177.57 175.56 3i1r h HIS 29 N 0.77 -0.73 -0.58 3.17 -0.00 -0.55 -1.47 115.15 115.76 3i1r h HIS 29 Ca 0.43 0.02 0.10 0.00 -0.00 0.00 0.00 60.37 60.93 3i1r h HIS 29 Cb 0.48 0.32 -0.08 0.00 -0.00 0.00 0.00 27.41 28.12 3i1r h HIS 29 CO -0.06 -0.37 0.14 0.37 -0.00 0.00 0.00 177.93 178.01 3i1r h GLN 30 N -0.44 0.27 0.12 5.26 4.15 -0.50 -0.65 115.11 123.32 3i1r h GLN 30 Ca 0.05 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 3i1r h GLN 30 Cb 0.50 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.13 3i1r h GLN 30 CO -0.21 0.18 -0.06 0.28 -1.93 0.00 0.00 178.83 177.09 3i1r h VAL 31 N 0.28 1.01 -0.27 2.39 2.07 -1.04 0.54 116.25 121.23 3i1r h VAL 31 Ca 0.30 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 67.36 3i1r h VAL 31 Cb 0.43 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 3i1r h VAL 31 CO -0.37 0.12 0.02 -0.37 0.02 0.00 0.00 177.57 176.99 3i1r h VAL 32 N -0.39 0.83 -0.41 2.57 -1.51 -0.99 0.25 116.25 116.61 3i1r h VAL 32 Ca -0.02 -0.04 0.08 0.00 -1.23 0.00 0.00 66.70 65.49 3i1r h VAL 32 Cb 0.32 0.71 -0.07 0.00 -2.13 0.00 0.00 31.29 30.12 3i1r h VAL 32 CO 0.03 0.02 -0.01 0.58 -1.23 0.00 0.00 177.57 176.95 3i1r h VAL 33 N 0.11 0.68 -0.02 7.19 2.07 -1.06 0.31 116.25 125.52 3i1r h VAL 33 Ca 0.13 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.62 3i1r h VAL 33 Cb 0.15 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3i1r h VAL 33 CO -0.20 0.02 0.02 0.00 0.02 0.00 0.00 177.57 177.43 3i1r h ALA 34 N 1.37 1.94 -0.03 1.67 0.00 0.48 -1.59 119.26 123.09 3i1r h ALA 34 Ca 0.20 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3i1r h ALA 34 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3i1r h ALA 34 CO -0.35 -0.03 -0.21 -0.92 0.00 0.00 0.00 179.25 177.74 3i1r h TYR 35 N 0.00 0.27 -0.53 0.00 5.03 0.29 -3.21 116.97 118.83 3i1r h TYR 35 Ca 0.01 -0.13 0.00 0.00 2.58 0.00 0.00 58.73 61.20 3i1r h TYR 35 Cb 0.05 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.26 3i1r h TYR 35 CO 0.00 0.86 0.34 0.00 -1.32 0.00 0.00 178.16 178.04 3i1r h ALA 36 N 0.36 1.60 -2.29 1.82 0.00 -0.62 -3.18 119.26 116.95 3i1r h ALA 36 Ca -0.02 -0.05 -0.47 0.00 0.00 0.00 0.00 54.91 54.37 3i1r h ALA 36 Cb 0.89 -0.22 0.03 0.00 0.00 0.00 0.00 17.79 18.49 3i1r h ALA 36 CO 0.04 0.36 0.38 0.00 0.00 0.00 0.00 179.25 180.03 3i1r s ALA 37 N -5.60 2.88 0.00 0.00 0.00 -0.65 -2.95 121.76 115.44 3i1r s ALA 37 Ca -0.09 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.37 3i1r s ALA 37 Cb 0.17 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 20.07 3i1r s ALA 37 CO 0.75 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.55 3i1r n GLY 38 N -0.57 2.92 0.21 0.00 0.00 -1.24 -4.56 105.19 101.96 3i1r n GLY 38 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 3i1r n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1r h ALA 39 N 0.00 1.00 -2.78 4.61 0.00 -1.51 -3.46 119.26 117.13 3i1r h ALA 39 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 3i1r h ALA 39 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 17.79 17.86 3i1r h ALA 39 CO 0.00 0.00 0.53 1.03 0.00 0.00 0.00 179.25 180.81 3i1r s ARG 40 N -3.21 3.78 0.17 0.00 0.52 -1.24 -5.06 118.95 113.91 3i1r s ARG 40 Ca 0.07 1.92 0.05 0.00 -0.52 0.00 0.00 55.73 57.24 3i1r s ARG 40 Cb 0.06 -2.51 -0.04 0.00 0.52 0.00 0.00 34.95 32.98 3i1r s ARG 40 CO 0.66 -0.57 0.16 1.14 0.02 0.00 0.00 175.30 176.72 3i1r s GLN 41 N -2.55 2.99 0.00 3.54 -2.07 -1.26 -4.78 119.66 115.53 3i1r s GLN 41 Ca 0.62 -0.83 0.00 0.00 -1.82 0.00 0.00 55.36 53.33 3i1r s GLN 41 Cb -0.32 -2.70 0.00 0.00 -1.09 0.00 0.00 33.01 28.90 3i1r s GLN 41 CO 0.40 0.49 0.00 0.41 -1.32 0.00 0.00 175.29 175.26 3i1r n GLY 42 N -0.42 1.81 2.81 2.60 0.00 -1.21 -4.97 105.19 105.81 3i1r n GLY 42 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 3i1r n GLY 42 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i1r n THR 43 N 0.00 -8.39 -3.64 2.61 -2.24 -1.26 -4.74 114.28 96.61 3i1r n THR 43 Ca 0.00 1.67 -0.09 0.00 -2.27 0.00 0.00 64.05 63.36 3i1r n THR 43 Cb 0.00 -5.10 -0.07 0.00 -2.10 0.00 0.00 70.33 63.06 3i1r n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i1r s ARG 44 N -0.60 0.72 0.00 -0.78 1.81 -1.26 -4.94 118.95 113.91 3i1r s ARG 44 Ca -0.15 1.14 0.00 0.00 -1.72 0.00 0.00 55.73 55.00 3i1r s ARG 44 Cb 0.01 0.20 0.00 0.00 -0.45 0.00 0.00 34.95 34.71 3i1r s ARG 44 CO 0.49 -0.14 0.00 0.00 -0.68 0.00 0.00 175.30 174.98 3i1r n ALA 45 N 3.89 0.00 -0.90 2.13 0.00 -1.26 -3.69 120.51 120.67 3i1r n ALA 45 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3i1r n ALA 45 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 3i1r n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1r n GLN 46 N 0.00 0.00 -4.15 0.00 0.00 -1.26 -3.70 117.38 108.27 3i1r n GLN 46 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 57.00 56.72 3i1r n GLN 46 Cb 0.00 -0.45 -0.08 0.00 0.00 0.00 0.00 30.24 29.71 3i1r n GLN 46 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3i1r s LYS 47 N -2.98 2.55 0.52 2.61 1.02 -1.26 -4.29 119.74 117.90 3i1r s LYS 47 Ca 0.00 -0.94 0.05 0.00 0.02 0.00 0.00 55.97 55.10 3i1r s LYS 47 Cb 0.00 -2.49 0.04 0.00 -0.52 0.00 0.00 37.83 34.86 3i1r s LYS 47 CO 0.00 0.50 0.72 0.95 -0.92 0.00 0.00 175.35 176.60 3i1r s THR 48 N -1.52 2.67 0.65 2.17 -4.23 -1.26 -4.32 115.64 109.82 3i1r s THR 48 Ca 0.27 -0.84 0.32 0.00 -1.18 0.00 0.00 61.69 60.26 3i1r s THR 48 Cb -0.11 -2.83 0.33 0.00 1.34 0.00 0.00 72.50 71.23 3i1r s THR 48 CO 0.19 0.00 2.00 0.08 -0.54 0.00 0.00 174.62 176.35 3i1r h ARG 49 N 0.26 0.00 -0.12 3.99 0.11 -1.77 0.58 114.38 117.43 3i1r h ARG 49 Ca -0.39 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.54 3i1r h ARG 49 Cb 1.29 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.36 3i1r h ARG 49 CO 0.46 0.00 -0.58 0.00 0.10 0.00 0.00 179.97 179.95 3i1r h ALA 50 N 1.47 0.78 -0.45 0.08 0.00 -1.93 -3.35 119.26 115.87 3i1r h ALA 50 Ca 0.03 -0.53 -0.32 0.00 0.00 0.00 0.00 54.91 54.08 3i1r h ALA 50 Cb 0.61 -0.08 -0.25 0.00 0.00 0.00 0.00 17.79 18.07 3i1r h ALA 50 CO -0.00 0.71 -0.61 -0.85 0.00 0.00 0.00 179.25 178.50 3i1r n GLU 51 N -3.91 2.72 -4.27 0.00 0.28 0.19 -4.98 120.64 110.68 3i1r n GLU 51 Ca -0.03 -3.76 -0.34 0.00 -0.16 0.00 0.00 57.16 52.87 3i1r n GLU 51 Cb 0.61 -2.00 -0.15 0.00 1.43 0.00 0.00 31.44 31.33 3i1r n GLU 51 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3i1r s VAL 52 N -4.01 2.73 -0.27 3.84 1.01 -1.21 -4.70 120.40 117.79 3i1r s VAL 52 Ca 0.46 -0.73 -0.37 0.00 0.00 0.00 0.00 61.98 61.34 3i1r s VAL 52 Cb 0.40 -2.18 -0.13 0.00 0.00 0.00 0.00 36.38 34.47 3i1r s VAL 52 CO -0.01 0.50 1.99 0.41 0.00 0.00 0.00 175.10 177.99 3i1r n THR 53 N 4.38 0.31 -0.58 3.92 -1.04 -1.26 -4.73 114.28 115.27 3i1r n THR 53 Ca -0.19 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 3i1r n THR 53 Cb 0.51 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 3i1r n THR 53 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1r n GLY 54 N 5.37 -0.69 3.20 3.41 0.00 -1.26 -5.10 105.19 110.11 3i1r n GLY 54 Ca 0.33 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 3i1r n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i1r s SER 55 N -4.00 0.23 0.00 1.61 1.04 -1.26 -5.04 113.70 106.28 3i1r s SER 55 Ca 0.00 -1.19 0.29 0.00 0.48 0.00 0.00 55.95 55.52 3i1r s SER 55 Cb 0.00 0.34 1.24 0.00 0.10 0.00 0.00 66.02 67.70 3i1r s SER 55 CO 0.00 -0.79 1.90 0.61 0.98 0.00 0.00 173.24 175.94 3i1r n GLY 56 N -0.15 -1.30 3.78 7.32 0.00 -1.26 -4.66 105.19 108.92 3i1r n GLY 56 Ca -0.04 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 3i1r n GLY 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1r n LYS 57 N -1.33 2.70 -2.68 1.61 4.81 -1.26 -4.83 118.16 117.18 3i1r n LYS 57 Ca 0.11 0.95 -0.43 0.00 -0.87 0.00 0.00 58.31 58.07 3i1r n LYS 57 Cb 0.30 -2.69 -0.03 0.00 0.02 0.00 0.00 35.03 32.63 3i1r n LYS 57 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3i1r s LYS 58 N -1.97 3.52 0.01 1.64 2.20 -1.24 -4.47 119.74 119.43 3i1r s LYS 58 Ca 0.54 0.19 -0.02 0.00 -0.36 0.00 0.00 55.97 56.32 3i1r s LYS 58 Cb -0.47 -3.99 -0.00 0.00 -1.51 0.00 0.00 37.83 31.85 3i1r s LYS 58 CO 0.63 -1.51 0.12 -2.30 -0.36 0.00 0.00 175.35 171.92 3i1r n PRO 59 N 7.92 -0.03 -1.30 4.03 -0.02 -1.26 -4.64 135.00 139.70 3i1r n PRO 59 Ca 0.07 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3i1r n PRO 59 Cb 0.49 -0.17 0.00 0.00 -0.02 0.00 0.00 33.50 33.80 3i1r n PRO 59 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 3i1r n TRP 60 N -3.74 -0.37 -2.39 6.00 2.14 -1.26 -5.12 117.44 112.70 3i1r n TRP 60 Ca 0.00 0.00 -0.30 0.00 2.07 0.00 0.00 57.50 59.28 3i1r n TRP 60 Cb 0.02 0.00 -0.01 0.00 -0.81 0.00 0.00 31.31 30.51 3i1r n TRP 60 CO 0.00 0.00 0.00 1.03 2.07 0.00 0.00 177.69 180.79 3i1r s ARG 61 N -1.50 3.64 0.41 -2.67 0.52 -1.26 -4.89 118.95 113.20 3i1r s ARG 61 Ca 0.00 0.51 0.19 0.00 -0.52 0.00 0.00 55.73 55.91 3i1r s ARG 61 Cb 0.00 -2.25 0.88 0.00 0.52 0.00 0.00 34.95 34.09 3i1r s ARG 61 CO 0.00 -0.30 1.84 0.37 0.02 0.00 0.00 175.30 177.23 3i1r h GLN 62 N 0.29 0.00 -3.60 3.54 5.75 -1.90 -3.44 115.11 115.74 3i1r h GLN 62 Ca -0.46 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 57.94 3i1r h GLN 62 Cb 1.19 0.00 -0.16 0.00 1.07 0.00 0.00 27.48 29.58 3i1r h GLN 62 CO 0.62 0.31 -0.37 0.15 -2.65 0.00 0.00 178.83 176.89 3i1r s LYS 63 N -3.94 0.74 0.00 1.69 1.02 -1.26 -4.59 119.74 113.40 3i1r s LYS 63 Ca -0.02 -0.70 0.00 0.00 0.02 0.00 0.00 55.97 55.27 3i1r s LYS 63 Cb 0.13 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.74 3i1r s LYS 63 CO 0.67 -0.22 0.00 0.41 -0.92 0.00 0.00 175.35 175.29 3i1r n GLY 64 N 0.49 2.97 3.83 -3.33 0.00 -1.26 -5.03 105.19 102.86 3i1r n GLY 64 Ca -0.18 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 3i1r n GLY 64 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i1r s THR 65 N -0.87 4.46 0.46 2.61 -1.32 -1.26 -4.95 115.64 114.76 3i1r s THR 65 Ca 0.00 1.36 0.16 0.00 -1.21 0.00 0.00 61.69 62.00 3i1r s THR 65 Cb 0.00 -3.64 0.21 0.00 -1.51 0.00 0.00 72.50 67.56 3i1r s THR 65 CO 0.00 -0.42 2.03 1.23 -2.21 0.00 0.00 174.62 175.25 3i1r h GLY 66 N 1.64 0.00 -0.98 6.08 0.00 -1.98 -3.45 103.07 104.39 3i1r h GLY 66 Ca -0.48 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.47 3i1r h GLY 66 CO 0.61 0.00 -0.15 0.50 0.00 0.00 0.00 176.54 177.51 3i1r s ARG 67 N -4.66 -3.09 -0.27 4.80 1.81 -1.26 -4.97 118.95 111.31 3i1r s ARG 67 Ca -0.04 0.21 -0.04 0.00 -1.72 0.00 0.00 55.73 54.14 3i1r s ARG 67 Cb 0.16 -1.35 0.02 0.00 -0.45 0.00 0.00 34.95 33.32 3i1r s ARG 67 CO 0.68 -5.00 0.00 0.00 -0.68 0.00 0.00 175.30 170.30 3i1r s ALA 68 N -2.18 2.86 0.00 2.13 0.00 -1.26 -4.96 121.76 118.35 3i1r s ALA 68 Ca 0.68 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 51.20 3i1r s ALA 68 Cb -0.14 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.09 3i1r s ALA 68 CO 0.59 -0.84 0.00 0.54 0.00 0.00 0.00 175.76 176.05 3i1r n ARG 69 N 4.76 0.00 -1.24 0.00 5.12 -1.26 -4.92 116.66 119.11 3i1r n ARG 69 Ca -0.16 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.76 3i1r n ARG 69 Cb 0.48 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.78 3i1r n ARG 69 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3i1r n SER 70 N 1.65 -3.11 0.00 0.55 3.41 -1.26 -4.57 113.62 110.29 3i1r n SER 70 Ca 0.00 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 3i1r n SER 70 Cb 0.00 -2.80 0.00 0.00 -0.26 0.00 0.00 64.21 61.15 3i1r n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i1r n GLY 71 N -1.36 0.00 2.72 5.00 0.00 -1.26 -4.69 105.19 105.60 3i1r n GLY 71 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3i1r n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i1r s SER 72 N -1.00 1.25 0.00 1.61 0.15 -1.26 -3.68 113.70 110.78 3i1r s SER 72 Ca 0.00 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.66 3i1r s SER 72 Cb 0.00 0.02 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 3i1r s SER 72 CO 0.00 -0.27 0.14 0.00 1.20 0.00 0.00 173.24 174.31 3i1r n ILE 73 N 5.31 0.00 0.42 6.45 3.06 -1.26 0.62 119.36 133.96 3i1r n ILE 73 Ca -0.04 0.00 0.10 0.00 -2.50 0.00 0.00 62.75 60.31 3i1r n ILE 73 Cb 0.50 -0.27 -0.15 0.00 0.54 0.00 0.00 39.64 40.26 3i1r n ILE 73 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 3i1r n LYS 74 N -0.09 0.40 -1.56 9.51 5.02 -1.26 -4.75 118.16 125.44 3i1r n LYS 74 Ca 0.00 -0.11 -0.61 0.00 -2.02 0.00 0.00 58.31 55.57 3i1r n LYS 74 Cb 0.02 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.44 3i1r n LYS 74 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3i1r n SER 75 N -1.93 0.46 0.33 4.39 2.88 0.20 -3.89 113.62 116.07 3i1r n SER 75 Ca -0.01 1.14 0.22 0.00 -1.33 0.00 0.00 58.87 58.89 3i1r n SER 75 Cb 0.46 -0.88 1.18 0.00 -0.75 0.00 0.00 64.21 64.22 3i1r n SER 75 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3i1r h PRO 76 N 3.70 0.00 0.00 -1.46 0.13 -1.90 -0.45 132.00 132.01 3i1r h PRO 76 Ca -0.47 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 3i1r h PRO 76 Cb 1.37 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.47 3i1r h PRO 76 CO 0.76 0.00 -1.73 1.51 -0.23 0.00 0.00 178.00 178.31 3i1r n ILE 77 N -3.16 1.01 -0.62 -3.56 3.06 -1.26 -4.36 119.36 110.47 3i1r n ILE 77 Ca -0.03 -0.69 -0.31 0.00 -2.50 0.00 0.00 62.75 59.22 3i1r n ILE 77 Cb 0.08 -0.54 0.20 0.00 0.54 0.00 0.00 39.64 39.92 3i1r n ILE 77 CO 0.00 0.00 0.00 0.79 -2.50 0.00 0.00 176.55 174.84 3i1r n TRP 78 N -2.74 -1.39 0.00 9.51 5.03 -0.18 -5.02 117.44 122.65 3i1r n TRP 78 Ca -0.14 0.05 0.00 0.00 3.03 0.00 0.00 57.50 60.44 3i1r n TRP 78 Cb 0.86 -1.61 0.00 0.00 -1.03 0.00 0.00 31.31 29.53 3i1r n TRP 78 CO 0.00 0.00 0.00 -2.13 -0.03 0.00 0.00 177.69 175.53 3i1r n ARG 79 N -2.90 0.00 -1.65 -0.99 0.63 -1.26 -4.75 116.66 105.73 3i1r n ARG 79 Ca 0.01 0.00 -0.46 0.00 -0.92 0.00 0.00 57.85 56.48 3i1r n ARG 79 Cb 0.60 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.47 3i1r n ARG 79 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3i1r n SER 80 N 0.00 3.56 0.00 6.15 2.88 -1.26 -4.54 113.62 120.41 3i1r n SER 80 Ca 0.00 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 3i1r n SER 80 Cb 0.00 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.03 3i1r n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i1r n GLY 81 N 4.77 1.04 0.00 0.46 0.00 -1.26 -4.80 105.19 105.40 3i1r n GLY 81 Ca 0.24 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3i1r n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1r n GLY 82 N 2.67 -0.57 1.78 -0.02 0.00 -1.25 -4.27 105.19 103.53 3i1r n GLY 82 Ca 0.00 0.56 -0.01 0.00 0.00 0.00 0.00 46.02 46.57 3i1r n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i1r n VAL 83 N 0.00 -5.26 0.09 1.61 0.31 -1.26 -3.53 118.33 110.29 3i1r n VAL 83 Ca 0.00 0.65 -0.02 0.00 -0.01 0.00 0.00 64.34 64.95 3i1r n VAL 83 Cb 0.00 -4.37 0.21 0.00 -0.91 0.00 0.00 33.84 28.76 3i1r n VAL 83 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3i1r h THR 84 N 0.96 1.32 -0.98 2.52 2.02 -1.89 -3.25 112.91 113.61 3i1r h THR 84 Ca -0.11 -1.61 -0.38 0.00 0.77 0.00 0.00 66.41 65.09 3i1r h THR 84 Cb 0.25 1.75 -0.40 0.00 -1.74 0.00 0.00 68.15 68.01 3i1r h THR 84 CO 0.01 0.48 -1.13 0.49 0.37 0.00 0.00 175.52 175.74 3i1r n PHE 85 N -4.00 1.47 -0.69 3.16 3.72 -1.26 -5.00 117.46 114.86 3i1r n PHE 85 Ca -0.02 -2.74 -0.22 0.00 -0.05 0.00 0.00 57.45 54.43 3i1r n PHE 85 Cb 0.50 -0.32 0.01 0.00 -0.94 0.00 0.00 39.48 38.72 3i1r n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i1r n ALA 86 N -0.19 -2.36 -2.89 4.37 0.00 -1.23 -4.92 120.51 113.29 3i1r n ALA 86 Ca 0.13 -0.02 -0.35 0.00 0.00 0.00 0.00 53.44 53.20 3i1r n ALA 86 Cb 0.80 -0.78 -0.05 0.00 0.00 0.00 0.00 19.45 19.42 3i1r n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1r s ALA 87 N -1.10 3.91 -0.02 0.00 0.00 -1.24 -4.98 121.76 118.32 3i1r s ALA 87 Ca 0.31 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.57 3i1r s ALA 87 Cb -0.28 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 3i1r s ALA 87 CO 0.36 0.68 0.06 1.03 0.00 0.00 0.00 175.76 177.90 3i1r s ARG 88 N -1.47 3.02 0.58 0.00 1.81 -1.26 -4.34 118.95 117.29 3i1r s ARG 88 Ca 0.21 -0.48 -0.18 0.00 -1.72 0.00 0.00 55.73 53.56 3i1r s ARG 88 Cb -0.12 -2.83 -0.12 0.00 -0.45 0.00 0.00 34.95 31.43 3i1r s ARG 88 CO 0.11 0.66 0.10 -0.35 -0.68 0.00 0.00 175.30 175.14 3i1r n PRO 89 N 1.37 0.19 -4.22 3.54 -0.04 -1.24 -4.79 135.00 129.81 3i1r n PRO 89 Ca -0.14 0.08 -0.13 0.00 -0.04 0.00 0.00 63.50 63.27 3i1r n PRO 89 Cb 0.53 -1.31 -0.10 0.00 -0.04 0.00 0.00 33.50 32.58 3i1r n PRO 89 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3i1r s GLN 90 N -1.59 1.19 -0.23 0.54 -0.21 -1.26 -4.88 119.66 113.22 3i1r s GLN 90 Ca 0.60 -1.62 -0.02 0.00 0.02 0.00 0.00 55.36 54.34 3i1r s GLN 90 Cb -0.44 0.13 0.01 0.00 1.00 0.00 0.00 33.01 33.71 3i1r s GLN 90 CO 0.63 -0.33 -0.07 0.34 -2.12 0.00 0.00 175.29 173.73 3i1r s ASP 91 N -3.17 4.12 -0.10 5.90 2.15 -1.26 -3.34 116.67 120.97 3i1r s ASP 91 Ca 0.35 -0.66 0.14 0.00 0.43 0.00 0.00 52.55 52.82 3i1r s ASP 91 Cb 0.07 -1.66 0.58 0.00 -0.30 0.00 0.00 42.92 41.61 3i1r s ASP 91 CO 0.10 -0.07 1.46 1.41 -0.17 0.00 0.00 175.17 177.90 3i1r n HIS 92 N 4.71 1.23 -1.78 -5.34 8.25 -1.26 -4.96 115.22 116.07 3i1r n HIS 92 Ca -0.18 -0.48 -0.38 0.00 -0.26 0.00 0.00 57.72 56.42 3i1r n HIS 92 Cb 0.49 -0.22 0.05 0.00 1.12 0.00 0.00 29.99 31.42 3i1r n HIS 92 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3i1r s SER 93 N -0.79 5.16 0.31 0.41 0.01 -1.26 -3.61 113.70 113.92 3i1r s SER 93 Ca 0.41 2.74 0.10 0.00 1.31 0.00 0.00 55.95 60.51 3i1r s SER 93 Cb 0.27 -2.63 -0.06 0.00 0.21 0.00 0.00 66.02 63.81 3i1r s SER 93 CO 0.19 -1.64 -0.14 -1.10 0.41 0.00 0.00 173.24 170.96 3i1r s GLN 94 N -2.99 1.72 0.00 12.44 -0.21 -1.26 -4.92 119.66 124.43 3i1r s GLN 94 Ca 0.73 -1.84 0.00 0.00 0.02 0.00 0.00 55.36 54.27 3i1r s GLN 94 Cb -0.40 -1.66 0.00 0.00 1.00 0.00 0.00 33.01 31.96 3i1r s GLN 94 CO 0.46 0.21 0.03 1.17 -2.12 0.00 0.00 175.29 175.04 3i1r n LYS 95 N -0.69 0.00 -0.42 2.91 4.81 -1.26 -5.06 118.16 118.46 3i1r n LYS 95 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 3i1r n LYS 95 Cb 0.62 -0.26 0.00 0.00 0.02 0.00 0.00 35.03 35.41 3i1r n LYS 95 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3i1r n VAL 96 N -0.11 -0.92 -2.42 3.15 0.31 -1.26 -5.00 118.33 112.08 3i1r n VAL 96 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 3i1r n VAL 96 Cb 0.00 -1.30 -0.04 0.00 -0.91 0.00 0.00 33.84 31.59 3i1r n VAL 96 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3i1r s ASN 97 N 0.00 7.16 0.22 4.52 0.02 -1.26 -4.87 114.94 120.74 3i1r s ASN 97 Ca 0.00 2.25 -0.14 0.00 -1.02 0.00 0.00 52.86 53.94 3i1r s ASN 97 Cb 0.00 -2.62 0.27 0.00 0.02 0.00 0.00 41.25 38.92 3i1r s ASN 97 CO 0.00 -0.27 1.44 0.29 0.02 0.00 0.00 177.10 178.58 3i1r n LYS 98 N 1.93 -0.19 -0.27 -0.60 5.02 -1.26 -0.15 118.16 122.64 3i1r n LYS 98 Ca 0.02 1.44 -0.06 0.00 -2.02 0.00 0.00 58.31 57.69 3i1r n LYS 98 Cb 0.45 -2.13 0.06 0.00 -0.02 0.00 0.00 35.03 33.38 3i1r n LYS 98 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3i1r h LYS 99 N 0.00 1.08 -0.89 1.97 1.57 -1.99 -1.15 116.57 117.16 3i1r h LYS 99 Ca 0.35 -0.17 0.06 0.00 -1.87 0.00 0.00 60.65 59.01 3i1r h LYS 99 Cb 0.58 -0.19 -0.06 0.00 0.08 0.00 0.00 32.23 32.64 3i1r h LYS 99 CO -0.93 0.86 0.57 0.52 -0.57 0.00 0.00 179.45 179.89 3i1r h MET 100 N 1.05 1.01 0.55 3.15 2.86 -0.91 0.29 114.93 122.93 3i1r h MET 100 Ca 0.25 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.80 3i1r h MET 100 Cb 0.15 -0.23 0.01 0.00 0.06 0.00 0.00 31.60 31.59 3i1r h MET 100 CO -0.03 0.67 -0.26 -0.92 1.06 0.00 0.00 176.91 177.43 3i1r h TYR 101 N 1.04 -0.69 -0.64 -0.22 3.20 -0.09 -0.40 116.97 119.17 3i1r h TYR 101 Ca 0.38 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.34 3i1r h TYR 101 Cb 0.13 0.23 -0.08 0.00 1.54 0.00 0.00 36.73 38.55 3i1r h TYR 101 CO -0.02 -0.36 0.24 0.00 -1.64 0.00 0.00 178.16 176.38 3i1r h ARG 102 N -0.97 0.41 -0.34 1.82 3.08 -1.12 -1.27 114.38 115.98 3i1r h ARG 102 Ca -0.08 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.02 3i1r h ARG 102 Cb 0.64 -0.09 -0.09 0.00 0.08 0.00 0.00 29.97 30.51 3i1r h ARG 102 CO 0.12 0.27 -0.40 0.78 -1.07 0.00 0.00 179.97 179.68 3i1r h GLY 103 N 0.42 -0.50 0.96 0.04 0.00 0.01 -0.45 103.07 103.55 3i1r h GLY 103 Ca 0.33 0.50 0.02 0.00 0.00 0.00 0.00 47.33 48.18 3i1r h GLY 103 CO -0.33 -0.20 0.50 0.00 0.00 0.00 0.00 176.54 176.52 3i1r h ALA 104 N 0.46 0.98 -0.53 3.60 0.00 -0.06 -0.95 119.26 122.76 3i1r h ALA 104 Ca 0.13 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.10 3i1r h ALA 104 Cb 0.58 -0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 3i1r h ALA 104 CO -0.52 0.35 0.09 -0.07 0.00 0.00 0.00 179.25 179.09 3i1r h LEU 105 N 1.01 -0.04 -1.78 0.00 3.38 -0.05 0.32 115.31 118.15 3i1r h LEU 105 Ca 0.29 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.33 3i1r h LEU 105 Cb -0.07 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3i1r h LEU 105 CO -0.08 0.00 -0.15 0.11 0.09 0.00 0.00 178.44 178.42 3i1r h LYS 106 N 0.22 0.00 0.18 1.13 1.57 -0.32 -1.04 116.57 118.30 3i1r h LYS 106 Ca 0.27 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 3i1r h LYS 106 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3i1r h LYS 106 CO -0.37 0.15 -0.08 0.77 -0.57 0.00 0.00 179.45 179.34 3i1r h SER 107 N 0.00 -0.20 -0.95 0.86 0.02 0.79 -2.81 113.55 111.27 3i1r h SER 107 Ca -0.00 0.01 0.21 0.00 -0.84 0.00 0.00 61.79 61.16 3i1r h SER 107 Cb 0.29 0.05 -0.08 0.00 0.14 0.00 0.00 62.40 62.80 3i1r h SER 107 CO 0.02 0.19 0.61 -0.29 -1.14 0.00 0.00 176.83 176.22 3i1r h ILE 108 N -0.90 0.67 -0.02 3.27 -0.00 -0.73 -0.63 117.51 119.16 3i1r h ILE 108 Ca -0.02 -0.17 -0.00 0.00 -0.00 0.00 0.00 64.86 64.67 3i1r h ILE 108 Cb 0.18 0.14 -0.00 0.00 -0.00 0.00 0.00 36.82 37.14 3i1r h ILE 108 CO 0.04 0.09 -0.00 0.25 -0.00 0.00 0.00 178.15 178.53 3i1r h LEU 109 N 0.48 0.03 -1.44 2.19 7.12 -1.29 -0.80 115.31 121.61 3i1r h LEU 109 Ca 0.51 -0.34 -0.02 0.00 0.13 0.00 0.00 57.88 58.16 3i1r h LEU 109 Cb 1.16 -0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 41.26 3i1r h LEU 109 CO -0.23 0.37 0.15 0.28 -0.13 0.00 0.00 178.44 178.87 3i1r h SER 110 N -0.30 0.47 -0.27 1.25 0.02 -0.99 -1.77 113.55 111.97 3i1r h SER 110 Ca 0.00 -0.05 -0.15 0.00 -0.84 0.00 0.00 61.79 60.75 3i1r h SER 110 Cb 0.35 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 3i1r h SER 110 CO 0.00 0.44 -0.44 -0.33 -1.14 0.00 0.00 176.83 175.36 3i1r h GLU 111 N 0.53 0.77 -0.93 3.45 4.39 -0.98 -0.79 114.58 121.00 3i1r h GLU 111 Ca 0.13 -0.47 0.19 0.00 0.34 0.00 0.00 59.36 59.55 3i1r h GLU 111 Cb 0.11 0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 28.70 3i1r h GLU 111 CO -0.01 1.10 0.51 -0.07 -1.16 0.00 0.00 179.01 179.37 3i1r h LEU 112 N 0.51 0.60 -0.66 1.33 3.38 -0.45 0.28 115.31 120.30 3i1r h LEU 112 Ca 0.02 0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 3i1r h LEU 112 Cb 1.04 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3i1r h LEU 112 CO 0.10 0.18 -0.51 1.62 0.09 0.00 0.00 178.44 179.92 3i1r h VAL 113 N 0.62 1.33 -0.34 1.22 3.04 -1.05 0.55 116.25 121.62 3i1r h VAL 113 Ca 0.55 -1.75 -0.13 0.00 -1.01 0.00 0.00 66.70 64.36 3i1r h VAL 113 Cb 0.90 1.78 -0.01 0.00 -2.01 0.00 0.00 31.29 31.94 3i1r h VAL 113 CO -0.42 0.53 -0.32 -0.09 -1.01 0.00 0.00 177.57 176.26 3i1r h ARG 114 N 0.32 0.75 -0.20 4.17 2.43 0.79 -1.48 114.38 121.16 3i1r h ARG 114 Ca 0.01 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 3i1r h ARG 114 Cb 1.01 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3i1r h ARG 114 CO 0.09 0.97 0.00 1.04 -1.51 0.00 0.00 179.97 180.55 3i1r n GLN 115 N -4.07 1.66 -3.74 0.20 1.13 0.68 -4.92 117.38 108.31 3i1r n GLN 115 Ca -0.01 -1.00 -0.22 0.00 -1.94 0.00 0.00 57.00 53.82 3i1r n GLN 115 Cb 0.49 -1.33 0.01 0.00 0.11 0.00 0.00 30.24 29.52 3i1r n GLN 115 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3i1r n ASP 116 N 0.25 -2.26 -1.03 1.08 5.68 -0.56 -4.82 116.55 114.89 3i1r n ASP 116 Ca 0.14 -0.66 0.11 0.00 -0.50 0.00 0.00 54.79 53.88 3i1r n ASP 116 Cb 0.28 -0.84 0.19 0.00 -1.14 0.00 0.00 41.12 39.61 3i1r n ASP 116 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3i1r n ARG 117 N -2.77 2.35 -3.71 0.11 1.74 0.18 -4.82 116.66 109.74 3i1r n ARG 117 Ca -0.09 -2.16 -0.38 0.00 -0.77 0.00 0.00 57.85 54.45 3i1r n ARG 117 Cb 0.32 -1.46 -0.12 0.00 -1.02 0.00 0.00 32.46 30.18 3i1r n ARG 117 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3i1r s LEU 118 N -1.38 4.59 -0.18 0.55 0.20 -1.16 -1.17 118.68 120.13 3i1r s LEU 118 Ca 0.34 -1.26 -0.00 0.00 0.69 0.00 0.00 54.13 53.90 3i1r s LEU 118 Cb 0.20 -1.91 0.00 0.00 -0.43 0.00 0.00 46.19 44.06 3i1r s LEU 118 CO 0.28 -0.39 -0.14 0.27 -0.29 0.00 0.00 176.35 176.08 3i1r s ILE 119 N 1.41 2.63 -0.05 6.68 -0.00 -1.11 -4.89 121.20 125.86 3i1r s ILE 119 Ca 0.00 -0.76 -0.03 0.00 -0.00 0.00 0.00 60.65 59.86 3i1r s ILE 119 Cb -0.20 -2.13 -0.04 0.00 -0.00 0.00 0.00 42.46 40.09 3i1r s ILE 119 CO 0.03 0.50 0.10 0.54 -0.00 0.00 0.00 174.94 176.11 3i1r s VAL 120 N 1.10 4.97 0.16 8.37 0.11 -1.25 -4.08 120.40 129.78 3i1r s VAL 120 Ca 0.00 -0.17 0.01 0.00 -2.93 0.00 0.00 61.98 58.89 3i1r s VAL 120 Cb -0.14 -3.22 -0.04 0.00 -1.53 0.00 0.00 36.38 31.44 3i1r s VAL 120 CO -0.05 0.47 0.02 0.68 -3.33 0.00 0.00 175.10 172.89 3i1r s VAL 121 N -1.11 0.48 -0.30 2.04 -7.23 -1.19 -1.56 120.40 111.53 3i1r s VAL 121 Ca 0.20 -1.95 -0.14 0.00 -1.81 0.00 0.00 61.98 58.27 3i1r s VAL 121 Cb -0.12 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.71 3i1r s VAL 121 CO 0.10 -0.49 0.32 -1.61 -0.31 0.00 0.00 175.10 173.11 3i1r s GLU 122 N -3.96 3.85 0.34 4.82 2.02 -1.26 -1.62 118.70 122.89 3i1r s GLU 122 Ca 0.23 -0.21 0.00 0.00 0.02 0.00 0.00 54.97 55.02 3i1r s GLU 122 Cb 0.07 -3.71 0.00 0.00 0.10 0.00 0.00 34.13 30.59 3i1r s GLU 122 CO 0.03 -0.33 0.00 1.17 0.02 0.00 0.00 175.26 176.15 3i1r n LYS 123 N 5.27 -5.04 -3.66 1.61 3.00 -1.26 -5.01 118.16 113.07 3i1r n LYS 123 Ca -0.10 3.63 -0.20 0.00 -0.00 0.00 0.00 58.31 61.64 3i1r n LYS 123 Cb 0.51 -3.98 -0.17 0.00 0.00 0.00 0.00 35.03 31.39 3i1r n LYS 123 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 3i1r s PHE 124 N -1.74 0.03 -0.28 5.64 2.19 -1.26 -5.05 117.98 117.51 3i1r s PHE 124 Ca 0.00 0.25 -0.22 0.00 0.33 0.00 0.00 56.93 57.30 3i1r s PHE 124 Cb 0.00 -0.47 0.13 0.00 -1.31 0.00 0.00 43.02 41.37 3i1r s PHE 124 CO 0.00 -0.25 0.99 0.45 1.83 0.00 0.00 175.22 178.24 3i1r s SER 125 N 2.19 -0.50 0.70 6.13 0.15 -1.26 -5.02 113.70 116.08 3i1r s SER 125 Ca 0.04 0.90 -0.10 0.00 0.70 0.00 0.00 55.95 57.50 3i1r s SER 125 Cb -0.13 1.02 0.03 0.00 -1.71 0.00 0.00 66.02 65.24 3i1r s SER 125 CO -0.04 -0.15 1.07 0.54 1.20 0.00 0.00 173.24 175.86 3i1r s VAL 126 N 0.65 3.20 -2.38 4.45 0.11 -1.26 -4.99 120.40 120.18 3i1r s VAL 126 Ca -0.01 0.27 0.20 0.00 -2.93 0.00 0.00 61.98 59.51 3i1r s VAL 126 Cb -0.05 -3.37 0.24 0.00 -1.53 0.00 0.00 36.38 31.68 3i1r s VAL 126 CO -0.10 -0.46 1.21 -1.84 -3.33 0.00 0.00 175.10 170.58 3i1r n GLU 127 N -2.97 2.01 -3.63 1.54 0.00 -1.26 -4.84 120.64 111.47 3i1r n GLU 127 Ca 0.07 -1.87 -0.03 0.00 0.00 0.00 0.00 57.16 55.33 3i1r n GLU 127 Cb 0.58 -1.41 -0.03 0.00 0.00 0.00 0.00 31.44 30.58 3i1r n GLU 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i1r s ALA 128 N -1.56 -2.15 -1.42 -1.84 0.00 -1.26 -5.08 121.76 108.44 3i1r s ALA 128 Ca 0.27 1.84 -0.15 0.00 0.00 0.00 0.00 51.96 53.93 3i1r s ALA 128 Cb 0.18 -0.68 0.04 0.00 0.00 0.00 0.00 23.12 22.66 3i1r s ALA 128 CO 0.26 -0.46 2.15 -2.30 0.00 0.00 0.00 175.76 175.41 3i1r n PRO 129 N 0.14 2.88 -3.64 0.00 -0.02 -1.26 -4.84 135.00 128.26 3i1r n PRO 129 Ca 0.03 -2.69 -0.25 0.00 -2.02 0.00 0.00 63.50 58.57 3i1r n PRO 129 Cb 0.57 -3.32 -0.17 0.00 -0.02 0.00 0.00 33.50 30.57 3i1r n PRO 129 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3i1r s LYS 130 N 3.39 0.12 0.38 -0.52 -0.14 -1.26 -4.76 119.74 116.94 3i1r s LYS 130 Ca 0.48 -0.01 0.17 0.00 -1.36 0.00 0.00 55.97 55.26 3i1r s LYS 130 Cb 0.12 -1.53 1.10 0.00 -1.68 0.00 0.00 37.83 35.84 3i1r s LYS 130 CO -0.06 -0.58 1.72 1.79 -0.76 0.00 0.00 175.35 177.46 3i1r h THR 131 N 6.43 0.43 -0.70 2.17 1.35 -1.88 -0.22 112.91 120.49 3i1r h THR 131 Ca -0.15 -0.13 0.13 0.00 -0.55 0.00 0.00 66.41 65.72 3i1r h THR 131 Cb 1.14 0.02 -0.09 0.00 -1.73 0.00 0.00 68.15 67.48 3i1r h THR 131 CO 0.26 0.07 0.23 0.50 -0.25 0.00 0.00 175.52 176.33 3i1r h LYS 132 N 0.38 0.35 0.64 4.72 3.64 -1.96 0.42 116.57 124.75 3i1r h LYS 132 Ca 0.66 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 60.00 3i1r h LYS 132 Cb 1.63 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.37 3i1r h LYS 132 CO -0.41 0.23 -0.42 -0.07 -2.27 0.00 0.00 179.45 176.51 3i1r h LEU 133 N 0.36 -1.08 -0.71 5.20 3.38 -1.39 -1.61 115.31 119.46 3i1r h LEU 133 Ca 0.38 0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.57 3i1r h LEU 133 Cb 0.57 0.32 -0.12 0.00 0.09 0.00 0.00 40.66 41.52 3i1r h LEU 133 CO -0.41 -0.63 0.02 0.25 0.09 0.00 0.00 178.44 177.75 3i1r h LEU 134 N -1.00 -0.30 -0.87 1.67 5.85 -1.34 0.66 115.31 119.98 3i1r h LEU 134 Ca -0.09 0.18 0.13 0.00 0.84 0.00 0.00 57.88 58.95 3i1r h LEU 134 Cb 0.81 0.31 -0.14 0.00 0.37 0.00 0.00 40.66 42.01 3i1r h LEU 134 CO 0.07 -0.15 -0.40 0.00 -0.34 0.00 0.00 178.44 177.62 3i1r h ALA 135 N 1.66 0.00 0.39 1.25 0.00 0.04 -0.24 119.26 122.36 3i1r h ALA 135 Ca 0.39 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.51 3i1r h ALA 135 Cb 0.66 0.99 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 3i1r h ALA 135 CO -0.61 -0.69 -0.42 1.96 0.00 0.00 0.00 179.25 179.49 3i1r h GLN 136 N -0.06 -0.81 -0.51 0.00 1.08 0.12 -1.69 115.11 113.26 3i1r h GLN 136 Ca 0.29 0.05 0.10 0.00 -1.45 0.00 0.00 58.65 57.65 3i1r h GLN 136 Cb 0.57 0.18 -0.10 0.00 -0.05 0.00 0.00 27.48 28.08 3i1r h GLN 136 CO -0.89 -0.54 -0.23 -0.22 -0.95 0.00 0.00 178.83 176.00 3i1r h LYS 137 N -0.84 -0.11 0.00 1.46 3.64 0.44 0.20 116.57 121.37 3i1r h LYS 137 Ca -0.03 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3i1r h LYS 137 Cb 0.75 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 3i1r h LYS 137 CO -0.08 -0.07 -0.18 -0.07 -2.27 0.00 0.00 179.45 176.78 3i1r h LEU 138 N -0.11 -0.52 -1.32 5.20 3.38 -1.02 -0.01 115.31 120.92 3i1r h LEU 138 Ca 0.23 0.07 0.17 0.00 0.09 0.00 0.00 57.88 58.45 3i1r h LEU 138 Cb 0.48 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.37 3i1r h LEU 138 CO -0.58 -0.24 0.59 0.50 0.09 0.00 0.00 178.44 178.80 3i1r h LYS 139 N -0.29 0.58 -0.12 1.13 3.64 0.10 0.23 116.57 121.85 3i1r h LYS 139 Ca 0.05 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 3i1r h LYS 139 Cb 0.36 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3i1r h LYS 139 CO -0.17 0.39 -0.17 -0.44 -2.27 0.00 0.00 179.45 176.79 3i1r h ASP 140 N 0.60 0.36 0.09 4.20 3.45 0.54 -2.70 116.42 122.96 3i1r h ASP 140 Ca 0.48 -0.52 0.00 0.00 0.43 0.00 0.00 57.03 57.42 3i1r h ASP 140 Cb 0.92 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.59 3i1r h ASP 140 CO -0.23 0.81 0.00 0.23 -1.57 0.00 0.00 179.24 178.48 3i1r n MET 141 N -4.55 0.79 -2.64 3.56 2.81 -0.14 -4.87 117.12 112.09 3i1r n MET 141 Ca -0.07 0.01 -0.07 0.00 -1.81 0.00 0.00 57.70 55.76 3i1r n MET 141 Cb 0.38 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.43 3i1r n MET 141 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i1r n ALA 142 N -1.05 -0.75 -2.76 3.04 0.00 0.50 -5.05 120.51 114.45 3i1r n ALA 142 Ca 0.20 0.01 -0.27 0.00 0.00 0.00 0.00 53.44 53.38 3i1r n ALA 142 Cb 0.12 -1.49 -0.16 0.00 0.00 0.00 0.00 19.45 17.91 3i1r n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i1r s LEU 143 N -3.69 1.97 0.00 0.00 1.43 0.52 -4.99 118.68 113.91 3i1r s LEU 143 Ca 0.04 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 3i1r s LEU 143 Cb -0.02 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 45.19 3i1r s LEU 143 CO 0.29 0.19 0.00 -1.84 0.23 0.00 0.00 176.35 175.22 3i1r n GLU 144 N 2.97 2.26 -3.81 1.70 0.28 -1.26 -3.84 120.64 118.93 3i1r n GLU 144 Ca -0.17 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.53 3i1r n GLU 144 Cb 0.53 -0.76 -0.15 0.00 1.43 0.00 0.00 31.44 32.49 3i1r n GLU 144 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3i1r s ASP 145 N -1.83 4.07 0.19 -1.84 -1.08 -1.26 -4.48 116.67 110.44 3i1r s ASP 145 Ca 0.00 -1.62 -0.02 0.00 -0.52 0.00 0.00 52.55 50.39 3i1r s ASP 145 Cb 0.00 -1.03 -0.04 0.00 -1.46 0.00 0.00 42.92 40.39 3i1r s ASP 145 CO 0.00 -0.38 0.13 0.68 0.52 0.00 0.00 175.17 176.12 3i1r s VAL 146 N 1.47 0.02 -0.07 1.11 -7.23 -1.04 -1.99 120.40 112.67 3i1r s VAL 146 Ca 0.07 -1.94 0.10 0.00 -1.81 0.00 0.00 61.98 58.41 3i1r s VAL 146 Cb -0.18 -2.37 -0.15 0.00 0.56 0.00 0.00 36.38 34.24 3i1r s VAL 146 CO -0.18 -0.11 0.11 -0.11 -0.31 0.00 0.00 175.10 174.50 3i1r n LEU 147 N -0.24 0.00 -3.22 1.32 -0.00 -0.60 -2.09 117.00 112.17 3i1r n LEU 147 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.67 3i1r n LEU 147 Cb 0.65 0.17 0.03 0.00 -0.00 0.00 0.00 43.42 44.28 3i1r n LEU 147 CO 0.32 0.17 -0.24 -0.38 -0.00 0.00 0.00 177.39 177.26 3i1r n ILE 148 N -2.22 -3.28 -3.53 1.96 2.08 -1.22 -3.54 119.36 109.60 3i1r n ILE 148 Ca -0.12 0.06 -0.41 0.00 0.56 0.00 0.00 62.75 62.83 3i1r n ILE 148 Cb 0.66 -3.00 -0.11 0.00 -0.75 0.00 0.00 39.64 36.45 3i1r n ILE 148 CO 0.00 0.00 0.00 -0.51 0.56 0.00 0.00 176.55 176.60 3i1r s ILE 149 N -1.38 5.07 0.61 1.39 2.07 -1.26 -2.90 121.20 124.79 3i1r s ILE 149 Ca 0.31 -0.54 0.01 0.00 -1.41 0.00 0.00 60.65 59.02 3i1r s ILE 149 Cb -0.03 -3.73 0.12 0.00 0.13 0.00 0.00 42.46 38.94 3i1r s ILE 149 CO 0.77 -0.17 0.84 1.07 -1.91 0.00 0.00 174.94 175.54 3i1r n THR 150 N 5.09 0.00 0.00 4.00 5.66 0.22 -2.40 114.28 126.85 3i1r n THR 150 Ca -0.12 -1.38 0.00 0.00 -3.05 0.00 0.00 64.05 59.50 3i1r n THR 150 Cb 0.48 -0.92 0.00 0.00 -1.55 0.00 0.00 70.33 68.34 3i1r n THR 150 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i1r n GLY 151 N -1.51 0.25 1.02 1.09 0.00 -1.26 -1.45 105.19 103.33 3i1r n GLY 151 Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 3i1r n GLY 151 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i1r n GLU 152 N -0.78 2.35 -1.76 1.61 4.07 -1.26 -2.78 120.64 122.08 3i1r n GLU 152 Ca 0.00 -2.16 0.00 0.00 -0.06 0.00 0.00 57.16 54.94 3i1r n GLU 152 Cb 0.00 -1.45 0.00 0.00 -0.06 0.00 0.00 31.44 29.93 3i1r n GLU 152 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 3i1r n LEU 153 N 1.27 -4.00 0.00 4.31 -0.00 -1.26 -4.98 117.00 112.34 3i1r n LEU 153 Ca 0.17 2.91 -0.14 0.00 -0.00 0.00 0.00 56.01 58.95 3i1r n LEU 153 Cb 0.55 -3.04 0.03 0.00 -0.00 0.00 0.00 43.42 40.96 3i1r n LEU 153 CO 0.14 -0.14 0.18 -0.90 -0.00 0.00 0.00 177.39 176.66 3i1r n ASP 154 N -0.07 1.62 -0.10 1.45 3.85 -1.26 -5.07 116.55 116.97 3i1r n ASP 154 Ca 0.00 -2.08 -0.23 0.00 -0.71 0.00 0.00 54.79 51.77 3i1r n ASP 154 Cb 0.00 -0.20 -0.12 0.00 -1.35 0.00 0.00 41.12 39.45 3i1r n ASP 154 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 3i1r n GLU 155 N -1.67 0.64 0.10 0.11 4.07 -1.26 -4.32 120.64 118.31 3i1r n GLU 155 Ca 0.07 0.26 -0.15 0.00 -0.06 0.00 0.00 57.16 57.28 3i1r n GLU 155 Cb 0.40 -1.58 -0.09 0.00 -0.06 0.00 0.00 31.44 30.11 3i1r n GLU 155 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 3i1r h ASN 156 N -0.41 -1.43 -0.08 4.31 2.35 -1.94 -0.32 115.58 118.05 3i1r h ASN 156 Ca -0.55 0.16 0.02 0.00 -0.55 0.00 0.00 56.30 55.38 3i1r h ASN 156 Cb 1.76 0.54 -0.00 0.00 0.05 0.00 0.00 38.32 40.67 3i1r h ASN 156 CO -0.17 -0.52 0.19 0.25 -1.65 0.00 0.00 177.43 175.53 3i1r h LEU 157 N -0.70 0.00 0.14 1.61 5.85 -1.88 0.62 115.31 120.95 3i1r h LEU 157 Ca 0.01 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.44 3i1r h LEU 157 Cb 0.72 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.76 3i1r h LEU 157 CO -0.28 0.00 -1.38 0.15 -0.34 0.00 0.00 178.44 176.58 3i1r h PHE 158 N 0.00 0.55 -0.08 1.25 3.04 -1.49 -3.34 116.94 116.87 3i1r h PHE 158 Ca 0.04 -0.40 -0.15 0.00 3.98 0.00 0.00 57.97 61.44 3i1r h PHE 158 Cb 0.42 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.90 3i1r h PHE 158 CO 0.00 1.36 -0.60 -0.07 -2.02 0.00 0.00 178.31 176.98 3i1r h LEU 159 N 0.08 0.32-10.44 0.59 4.07 0.18 -3.31 115.31 106.80 3i1r h LEU 159 Ca -0.19 -0.18 -0.46 0.00 0.08 0.00 0.00 57.88 57.13 3i1r h LEU 159 Cb 2.02 -0.09 0.14 0.00 1.08 0.00 0.00 40.66 43.80 3i1r h LEU 159 CO 0.20 0.84 0.27 0.00 -1.08 0.00 0.00 178.44 178.67 3i1r s ALA 160 N -3.78 1.60 0.00 1.53 0.00 0.29 -3.90 121.76 117.50 3i1r s ALA 160 Ca -0.04 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.49 3i1r s ALA 160 Cb 0.12 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.17 3i1r s ALA 160 CO 0.80 -2.37 0.00 0.00 0.00 0.00 0.00 175.76 174.19 3i1r n ALA 161 N -3.84 0.00 0.25 0.00 0.00 -1.26 -4.70 120.51 110.95 3i1r n ALA 161 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.63 3i1r n ALA 161 Cb 0.58 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.80 3i1r n ALA 161 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i1r h ARG 162 N 0.32 0.00 0.00 0.00 2.43 -1.68 -1.98 114.38 113.47 3i1r h ARG 162 Ca 0.00 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.82 3i1r h ARG 162 Cb 0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.48 3i1r h ARG 162 CO 0.00 0.00 -2.32 -1.71 -1.51 0.00 0.00 179.97 174.43 3i1r n ASN 163 N -4.19 0.51 -4.67 -3.80 4.05 -1.26 -4.85 115.26 101.05 3i1r n ASN 163 Ca -0.01 -0.02 -0.45 0.00 0.45 0.00 0.00 54.58 54.55 3i1r n ASN 163 Cb 0.15 0.80 -0.04 0.00 1.23 0.00 0.00 39.78 41.93 3i1r n ASN 163 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3i1r n LEU 164 N -2.77 3.83 -0.06 1.20 4.32 -0.75 -4.83 117.00 117.94 3i1r n LEU 164 Ca -0.33 0.94 -0.14 0.00 -0.02 0.00 0.00 56.01 56.47 3i1r n LEU 164 Cb 1.10 -1.46 -0.14 0.00 -1.62 0.00 0.00 43.42 41.30 3i1r n LEU 164 CO 0.39 0.08 -0.92 1.57 -1.22 0.00 0.00 177.39 177.28 3i1r n HIS 165 N 6.93 0.59 1.41 -1.77 -0.00 -1.26 -4.02 115.22 117.10 3i1r n HIS 165 Ca 0.21 0.17 0.02 0.00 -0.00 0.00 0.00 57.72 58.12 3i1r n HIS 165 Cb 0.35 -1.09 0.06 0.00 -0.00 0.00 0.00 29.99 29.31 3i1r n HIS 165 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3i1r n LYS 166 N -3.11 1.37 -3.91 1.57 4.76 -1.26 -4.85 118.16 112.74 3i1r n LYS 166 Ca -0.30 -0.48 -0.09 0.00 -2.87 0.00 0.00 58.31 54.56 3i1r n LYS 166 Cb 1.07 -1.20 -0.09 0.00 -1.84 0.00 0.00 35.03 32.97 3i1r n LYS 166 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3i1r s VAL 167 N -1.73 0.14 0.17 -0.18 0.11 -1.26 -2.49 120.40 115.17 3i1r s VAL 167 Ca 0.09 -1.17 -0.12 0.00 -2.93 0.00 0.00 61.98 57.85 3i1r s VAL 167 Cb 0.05 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.79 3i1r s VAL 167 CO 0.05 -0.64 0.36 -0.62 -3.33 0.00 0.00 175.10 170.92 3i1r s ASP 168 N -2.45 -0.06 0.00 3.54 2.15 -0.89 -4.87 116.67 114.10 3i1r s ASP 168 Ca -0.00 -0.72 0.00 0.00 0.43 0.00 0.00 52.55 52.26 3i1r s ASP 168 Cb 0.02 0.48 -0.00 0.00 -0.30 0.00 0.00 42.92 43.12 3i1r s ASP 168 CO -0.07 -0.94 -0.02 0.68 -0.17 0.00 0.00 175.17 174.65 3i1r s VAL 169 N -3.93 0.10 0.06 1.11 -7.23 -1.23 -3.46 120.40 105.82 3i1r s VAL 169 Ca 0.14 -0.19 -0.05 0.00 -1.81 0.00 0.00 61.98 60.07 3i1r s VAL 169 Cb 0.02 -0.12 -0.02 0.00 0.56 0.00 0.00 36.38 36.82 3i1r s VAL 169 CO -0.02 -0.05 0.07 -0.13 -0.31 0.00 0.00 175.10 174.66 3i1r s ARG 170 N -0.25 0.69 0.54 4.82 3.00 -1.14 -5.02 118.95 121.59 3i1r s ARG 170 Ca -0.02 -1.04 -0.07 0.00 0.00 0.00 0.00 55.73 54.60 3i1r s ARG 170 Cb -0.02 0.26 -0.03 0.00 0.00 0.00 0.00 34.95 35.16 3i1r s ARG 170 CO -0.00 -0.17 0.88 0.16 0.00 0.00 0.00 175.30 176.16 3i1r s ASP 171 N -2.75 6.16 0.26 0.23 1.47 -1.26 -0.61 116.67 120.16 3i1r s ASP 171 Ca 0.04 1.06 -0.02 0.00 1.18 0.00 0.00 52.55 54.81 3i1r s ASP 171 Cb 0.05 -2.25 0.50 0.00 -0.34 0.00 0.00 42.92 40.88 3i1r s ASP 171 CO -0.09 -0.74 1.77 0.00 0.68 0.00 0.00 175.17 176.78 3i1r h ALA 172 N -0.01 1.23 0.00 2.11 0.00 -1.07 0.58 119.26 122.10 3i1r h ALA 172 Ca -0.46 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3i1r h ALA 172 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3i1r h ALA 172 CO 0.62 -0.07 0.00 1.79 0.00 0.00 0.00 179.25 181.59 3i1r h THR 173 N 0.63 0.00 0.00 0.00 1.35 -1.89 -3.34 112.91 109.66 3i1r h THR 173 Ca 0.44 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 3i1r h THR 173 Cb 0.60 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3i1r h THR 173 CO -0.34 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.54 3i1r n GLY 174 N 0.60 -1.81 0.77 5.82 0.00 0.19 -4.96 105.19 105.80 3i1r n GLY 174 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3i1r n GLY 174 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3i1r n ILE 175 N -0.63 0.00 -4.19 -0.61 3.06 -1.21 -5.01 119.36 110.78 3i1r n ILE 175 Ca 0.00 0.00 -0.17 0.00 -2.50 0.00 0.00 62.75 60.08 3i1r n ILE 175 Cb 0.00 -0.36 -0.11 0.00 0.54 0.00 0.00 39.64 39.71 3i1r n ILE 175 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 3i1r s ASP 176 N 0.00 1.69 0.10 9.51 1.47 -1.26 -5.08 116.67 123.10 3i1r s ASP 176 Ca 0.00 -0.71 -0.27 0.00 1.18 0.00 0.00 52.55 52.75 3i1r s ASP 176 Cb 0.00 -0.04 -0.11 0.00 -0.34 0.00 0.00 42.92 42.44 3i1r s ASP 176 CO 0.00 -0.14 1.66 -0.65 0.68 0.00 0.00 175.17 176.72 3i1r h PRO 177 N 3.91 -0.42 0.69 2.11 0.11 -1.98 -2.33 132.00 134.09 3i1r h PRO 177 Ca -0.40 0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.71 3i1r h PRO 177 Cb 1.19 0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.40 3i1r h PRO 177 CO 0.46 -0.28 -0.33 -0.24 -0.21 0.00 0.00 178.00 177.40 3i1r h VAL 178 N -0.43 0.00 -1.06 3.15 3.04 -1.95 -2.97 116.25 116.03 3i1r h VAL 178 Ca 0.01 -0.09 0.31 0.00 -1.01 0.00 0.00 66.70 65.92 3i1r h VAL 178 Cb 0.43 0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 29.66 3i1r h VAL 178 CO -0.08 0.00 0.83 0.77 -1.01 0.00 0.00 177.57 178.08 3i1r h SER 179 N -1.02 0.00 -0.82 3.17 4.64 -1.98 1.16 113.55 118.70 3i1r h SER 179 Ca -0.09 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 3i1r h SER 179 Cb 0.71 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.76 3i1r h SER 179 CO 0.16 0.00 0.38 -0.07 -0.87 0.00 0.00 176.83 176.43 3i1r h LEU 180 N 0.00 1.09 0.02 5.97 3.38 -1.26 -2.75 115.31 121.76 3i1r h LEU 180 Ca 0.50 -0.14 -0.24 0.00 0.09 0.00 0.00 57.88 58.09 3i1r h LEU 180 Cb 2.15 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 42.59 3i1r h LEU 180 CO -0.01 0.93 -1.24 0.40 0.09 0.00 0.00 178.44 178.61 3i1r h ILE 181 N 1.18 1.44 -0.11 1.22 2.04 0.12 -3.38 117.51 120.02 3i1r h ILE 181 Ca 0.28 -3.16 0.02 0.00 1.00 0.00 0.00 64.86 62.99 3i1r h ILE 181 Cb 0.14 2.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 3i1r h ILE 181 CO -0.03 0.84 0.08 0.00 0.00 0.00 0.00 178.15 179.04 3i1r h ALA 182 N 0.91 2.00 -2.84 1.87 0.00 -0.20 -3.44 119.26 117.56 3i1r h ALA 182 Ca -0.11 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.13 3i1r h ALA 182 Cb 1.87 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.55 3i1r h ALA 182 CO 0.13 -0.02 -0.52 -0.06 0.00 0.00 0.00 179.25 178.78 3i1r s PHE 183 N -5.13 3.48 0.19 0.00 0.40 -1.24 -5.02 117.98 110.65 3i1r s PHE 183 Ca -0.06 0.41 -0.15 0.00 -0.60 0.00 0.00 56.93 56.53 3i1r s PHE 183 Cb 0.17 -1.87 0.17 0.00 0.51 0.00 0.00 43.02 42.00 3i1r s PHE 183 CO 0.69 0.66 1.66 -0.44 0.70 0.00 0.00 175.22 178.48 3i1r h ASP 184 N 4.72 -0.39 -4.25 1.36 3.32 -1.85 -3.41 116.42 115.92 3i1r h ASP 184 Ca -0.53 0.14 -0.52 0.00 0.02 0.00 0.00 57.03 56.15 3i1r h ASP 184 Cb 1.21 0.28 -0.22 0.00 0.22 0.00 0.00 39.33 40.83 3i1r h ASP 184 CO 0.60 -0.14 -0.81 -0.54 -1.72 0.00 0.00 179.24 176.62 3i1r s LYS 185 N -6.21 1.05 -0.09 3.56 -0.14 -0.84 -4.79 119.74 112.28 3i1r s LYS 185 Ca -0.14 -1.11 0.01 0.00 -1.36 0.00 0.00 55.97 53.37 3i1r s LYS 185 Cb 0.16 -1.24 0.02 0.00 -1.68 0.00 0.00 37.83 35.09 3i1r s LYS 185 CO 0.72 0.29 -0.10 0.54 -0.76 0.00 0.00 175.35 176.04 3i1r s VAL 186 N -1.21 1.06 0.00 3.17 0.11 -0.32 -1.56 120.40 121.65 3i1r s VAL 186 Ca 0.04 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 58.72 3i1r s VAL 186 Cb -0.10 -1.02 0.00 0.00 -1.53 0.00 0.00 36.38 33.73 3i1r s VAL 186 CO 0.04 0.36 0.07 0.52 -3.33 0.00 0.00 175.10 172.75 3i1r n VAL 187 N 4.34 0.00 -0.95 2.04 0.31 -1.26 -2.74 118.33 120.07 3i1r n VAL 187 Ca -0.18 0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3i1r n VAL 187 Cb 0.51 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 3i1r n VAL 187 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3i1r n MET 188 N -0.29 -0.18 -3.16 5.55 0.00 -1.21 -3.81 117.12 114.01 3i1r n MET 188 Ca 0.00 0.62 -0.37 0.00 0.00 0.00 0.00 57.70 57.94 3i1r n MET 188 Cb 0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 33.22 32.62 3i1r n MET 188 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 3i1r s THR 189 N -0.02 4.62 0.30 1.12 -1.32 -1.01 -3.14 115.64 116.19 3i1r s THR 189 Ca 0.00 1.28 0.04 0.00 -1.21 0.00 0.00 61.69 61.80 3i1r s THR 189 Cb 0.00 -3.90 0.32 0.00 -1.51 0.00 0.00 72.50 67.41 3i1r s THR 189 CO 0.00 0.37 1.64 0.00 -2.21 0.00 0.00 174.62 174.42 3i1r h ALA 190 N 3.91 1.39 -0.57 11.08 0.00 -1.68 2.52 119.26 135.90 3i1r h ALA 190 Ca -0.48 0.23 0.22 0.00 0.00 0.00 0.00 54.91 54.88 3i1r h ALA 190 Cb 1.20 0.32 -0.10 0.00 0.00 0.00 0.00 17.79 19.21 3i1r h ALA 190 CO 0.65 -0.51 0.25 -3.47 0.00 0.00 0.00 179.25 176.17 3i1r n ASP 191 N -5.23 0.15 -0.02 0.00 4.64 -1.26 -1.13 116.55 113.68 3i1r n ASP 191 Ca 0.24 0.96 0.01 0.00 -1.38 0.00 0.00 54.79 54.61 3i1r n ASP 191 Cb 0.75 -0.44 -0.08 0.00 -1.04 0.00 0.00 41.12 40.31 3i1r n ASP 191 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3i1r n ALA 192 N -2.74 2.12 -0.14 -1.67 0.00 0.79 -4.11 120.51 114.76 3i1r n ALA 192 Ca 0.20 -0.43 -0.03 0.00 0.00 0.00 0.00 53.44 53.18 3i1r n ALA 192 Cb 0.68 -0.19 0.05 0.00 0.00 0.00 0.00 19.45 19.98 3i1r n ALA 192 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1r h VAL 193 N 0.00 0.64 -0.56 0.00 2.07 0.16 0.71 116.25 119.27 3i1r h VAL 193 Ca -0.12 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.44 3i1r h VAL 193 Cb 0.97 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3i1r h VAL 193 CO 0.01 0.02 0.37 0.50 0.02 0.00 0.00 177.57 178.49 3i1r h LYS 194 N 0.11 0.45 -0.08 1.57 3.64 -1.49 0.72 116.57 121.49 3i1r h LYS 194 Ca 0.23 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 3i1r h LYS 194 Cb 0.34 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3i1r h LYS 194 CO -0.39 0.30 -0.25 1.96 -2.27 0.00 0.00 179.45 178.81 3i1r h GLN 195 N 0.47 0.31 -0.36 1.90 4.20 -0.30 -2.75 115.11 118.58 3i1r h GLN 195 Ca 0.25 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 3i1r h GLN 195 Cb 0.37 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3i1r h GLN 195 CO -0.07 0.85 -0.03 0.28 -0.67 0.00 0.00 178.83 179.19 3i1r h VAL 196 N -0.16 1.22 -0.45 -0.54 2.07 0.43 -2.15 116.25 116.66 3i1r h VAL 196 Ca -0.01 -0.89 0.08 0.00 0.82 0.00 0.00 66.70 66.70 3i1r h VAL 196 Cb 0.87 0.97 -0.10 0.00 -1.52 0.00 0.00 31.29 31.51 3i1r h VAL 196 CO 0.05 0.31 -0.35 -0.08 0.02 0.00 0.00 177.57 177.51 3i1r h GLU 197 N 0.55 -0.24 0.00 1.57 4.57 0.69 -1.37 114.58 120.36 3i1r h GLU 197 Ca 0.11 0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.21 3i1r h GLU 197 Cb 0.40 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 3i1r h GLU 197 CO 0.02 -0.16 -0.48 1.49 -1.18 0.00 0.00 179.01 178.70 3i1r h GLU 198 N -0.25 0.00 0.49 1.92 4.81 -1.47 -2.08 114.58 118.00 3i1r h GLU 198 Ca 0.18 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3i1r h GLU 198 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 3i1r h GLU 198 CO -0.59 0.48 -0.26 1.98 -0.73 0.00 0.00 179.01 179.90 3i1r h MET 199 N 0.00 -0.67 -0.46 1.92 4.05 -0.57 -3.10 114.93 116.11 3i1r h MET 199 Ca -0.00 0.05 -0.11 0.00 -0.28 0.00 0.00 59.70 59.35 3i1r h MET 199 Cb 1.31 0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 32.25 3i1r h MET 199 CO 0.06 -0.44 -0.14 -0.07 0.23 0.00 0.00 176.91 176.55 3i1r h LEU 200 N -0.69 0.86 0.00 3.39 -0.00 -1.62 -3.51 115.31 113.73 3i1r h LEU 200 Ca -0.07 -0.28 0.00 0.00 -0.00 0.00 0.00 57.88 57.53 3i1r h LEU 200 Cb 0.54 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.96 3i1r h LEU 200 CO 0.10 1.00 0.00 0.00 -0.00 0.00 0.00 178.44 179.54