#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1r h ILE 2 N 0.00 1.33 -3.36 2.02 5.03 -0.58 -3.46 117.51 118.49 3i1r h ILE 2 Ca 0.00 -2.19 0.34 0.00 -0.12 0.00 0.00 64.86 62.89 3i1r h ILE 2 Cb 0.00 2.70 -0.18 0.00 -3.03 0.00 0.00 36.82 36.31 3i1r h ILE 2 CO 0.00 0.45 -1.17 1.67 -0.68 0.00 0.00 178.15 178.42 3i1r n GLN 3 N -4.55 -3.19 -2.15 2.37 7.27 -1.26 -4.65 117.38 111.23 3i1r n GLN 3 Ca -0.18 2.57 -0.38 0.00 0.07 0.00 0.00 57.00 59.08 3i1r n GLN 3 Cb 0.53 -3.74 -0.00 0.00 2.41 0.00 0.00 30.24 29.44 3i1r n GLN 3 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 3i1r s GLU 4 N -4.07 3.78 4.16 3.69 2.02 -1.26 -4.35 118.70 122.67 3i1r s GLU 4 Ca 0.00 1.94 0.00 0.00 0.02 0.00 0.00 54.97 56.93 3i1r s GLU 4 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.71 3i1r s GLU 4 CO 0.00 -0.58 0.00 1.04 0.02 0.00 0.00 175.26 175.74 3i1r n GLN 5 N -0.31 0.00 -2.29 1.61 1.13 -0.81 -5.05 117.38 111.67 3i1r n GLN 5 Ca 0.06 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.09 3i1r n GLN 5 Cb 0.46 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.79 3i1r n GLN 5 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3i1r n THR 6 N 0.00-11.38 -1.78 5.09 -1.04 -1.26 -3.17 114.28 100.75 3i1r n THR 6 Ca 0.00 2.45 -0.32 0.00 -2.04 0.00 0.00 64.05 64.14 3i1r n THR 6 Cb 0.00 -5.87 0.03 0.00 -1.82 0.00 0.00 70.33 62.67 3i1r n THR 6 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3i1r s MET 7 N -0.78 3.10 -0.11 -2.82 -1.94 -1.26 -2.15 119.30 113.34 3i1r s MET 7 Ca -0.15 1.06 -0.17 0.00 -1.71 0.00 0.00 55.69 54.72 3i1r s MET 7 Cb 0.01 -2.01 0.04 0.00 2.01 0.00 0.00 34.83 34.88 3i1r s MET 7 CO 0.41 -0.97 0.43 -0.48 -0.01 0.00 0.00 175.02 174.39 3i1r s LEU 8 N -5.10 0.37 0.74 -0.03 2.34 0.56 -4.93 118.68 112.64 3i1r s LEU 8 Ca 0.60 0.63 -0.11 0.00 0.06 0.00 0.00 54.13 55.31 3i1r s LEU 8 Cb -0.15 1.55 0.04 0.00 -0.56 0.00 0.00 46.19 47.06 3i1r s LEU 8 CO 0.47 -0.29 1.09 0.20 -1.06 0.00 0.00 176.35 176.77 3i1r s ASN 9 N -0.37 5.04 -0.03 1.48 0.01 -0.62 -2.69 114.94 117.76 3i1r s ASN 9 Ca -0.05 1.27 0.06 0.00 -0.71 0.00 0.00 52.86 53.43 3i1r s ASN 9 Cb -0.03 -2.05 -0.02 0.00 0.41 0.00 0.00 41.25 39.55 3i1r s ASN 9 CO 0.03 -1.62 -0.22 -0.69 -1.51 0.00 0.00 177.10 173.09 3i1r s VAL 10 N -3.23 2.41 -0.93 1.60 1.01 -1.25 -1.01 120.40 119.00 3i1r s VAL 10 Ca 0.59 -0.97 0.15 0.00 0.00 0.00 0.00 61.98 61.75 3i1r s VAL 10 Cb -0.13 -1.88 0.51 0.00 0.00 0.00 0.00 36.38 34.88 3i1r s VAL 10 CO 0.53 0.58 1.43 0.00 0.00 0.00 0.00 175.10 177.65 3i1r n ALA 11 N 2.42 2.63 -2.70 5.51 0.00 -0.75 -4.87 120.51 122.74 3i1r n ALA 11 Ca -0.16 -1.54 -0.18 0.00 0.00 0.00 0.00 53.44 51.55 3i1r n ALA 11 Cb 0.51 -0.71 -0.13 0.00 0.00 0.00 0.00 19.45 19.13 3i1r n ALA 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3i1r s ASP 12 N -1.17 1.43 0.00 0.00 1.47 -1.26 0.12 116.67 117.27 3i1r s ASP 12 Ca 0.38 -0.47 0.00 0.00 1.18 0.00 0.00 52.55 53.64 3i1r s ASP 12 Cb 0.24 -0.07 0.00 0.00 -0.34 0.00 0.00 42.92 42.75 3i1r s ASP 12 CO 0.19 -0.02 0.00 -0.46 0.68 0.00 0.00 175.17 175.55 3i1r n ASN 13 N 1.81 0.00 -1.96 2.11 0.23 -1.11 -4.68 115.26 111.66 3i1r n ASN 13 Ca -0.19 0.00 -0.18 0.00 -0.53 0.00 0.00 54.58 53.68 3i1r n ASN 13 Cb 0.55 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.23 3i1r n ASN 13 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3i1r n SER 14 N 0.00 -5.31 0.00 0.53 3.41 -1.26 -3.38 113.62 107.61 3i1r n SER 14 Ca 0.00 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 3i1r n SER 14 Cb 0.00 -4.39 0.00 0.00 -0.26 0.00 0.00 64.21 59.56 3i1r n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i1r n GLY 15 N -0.96 0.81 3.46 5.00 0.00 -1.26 -3.71 105.19 108.53 3i1r n GLY 15 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3i1r n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1r n ALA 16 N 0.00 0.00 0.00 4.61 0.00 -1.22 -1.72 120.51 122.18 3i1r n ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1r n ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1r n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1r n ARG 17 N 6.92 0.00 -4.86 0.00 5.12 -1.26 -0.82 116.66 121.76 3i1r n ARG 17 Ca 0.00 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.61 3i1r n ARG 17 Cb 0.00 0.00 -0.14 0.00 -1.16 0.00 0.00 32.46 31.16 3i1r n ARG 17 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3i1r s ARG 18 N 0.00 2.15 -0.12 5.56 1.81 -1.26 -3.83 118.95 123.26 3i1r s ARG 18 Ca 0.00 -0.92 -0.12 0.00 -1.72 0.00 0.00 55.73 52.97 3i1r s ARG 18 Cb 0.00 -2.18 0.03 0.00 -0.45 0.00 0.00 34.95 32.35 3i1r s ARG 18 CO 0.00 0.56 0.33 0.54 -0.68 0.00 0.00 175.30 176.06 3i1r s VAL 19 N -0.81 0.00 -0.19 3.52 0.11 -1.09 -0.86 120.40 121.07 3i1r s VAL 19 Ca 0.13 -0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 59.13 3i1r s VAL 19 Cb -0.10 -0.48 -0.01 0.00 -1.53 0.00 0.00 36.38 34.26 3i1r s VAL 19 CO 0.03 -0.01 -0.08 -0.32 -3.33 0.00 0.00 175.10 171.38 3i1r s MET 20 N 0.12 3.35 0.05 1.54 1.75 0.86 -0.33 119.30 126.64 3i1r s MET 20 Ca -0.01 -0.66 -0.31 0.00 -1.25 0.00 0.00 55.69 53.47 3i1r s MET 20 Cb -0.02 -2.87 -0.10 0.00 2.84 0.00 0.00 34.83 34.68 3i1r s MET 20 CO 0.01 -0.08 1.93 0.00 -0.65 0.00 0.00 175.02 176.23 3i1r n ILE 22 N 5.30 0.00 -3.64 0.00 -5.35 0.66 -1.92 119.36 114.42 3i1r n ILE 22 Ca 0.20 -0.48 -0.07 0.00 -0.27 0.00 0.00 62.75 62.13 3i1r n ILE 22 Cb 0.39 1.23 -0.07 0.00 -1.74 0.00 0.00 39.64 39.45 3i1r n ILE 22 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3i1r s LYS 23 N -1.07 0.34 -0.30 6.28 2.20 -1.14 -4.88 119.74 121.17 3i1r s LYS 23 Ca 0.13 0.35 -0.14 0.00 -0.36 0.00 0.00 55.97 55.95 3i1r s LYS 23 Cb 0.10 0.17 -0.03 0.00 -1.51 0.00 0.00 37.83 36.55 3i1r s LYS 23 CO 0.17 -0.05 0.31 0.08 -0.36 0.00 0.00 175.35 175.50 3i1r s VAL 24 N -0.04 5.22 0.33 4.02 1.01 -1.26 -0.86 120.40 128.82 3i1r s VAL 24 Ca 0.04 0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.16 3i1r s VAL 24 Cb -0.04 -3.70 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 3i1r s VAL 24 CO -0.09 0.08 0.64 -0.76 0.00 0.00 0.00 175.10 174.97 3i1r s LEU 25 N 1.94 3.98 0.00 3.92 1.43 -1.24 -4.67 118.68 124.04 3i1r s LEU 25 Ca 0.11 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.10 3i1r s LEU 25 Cb -0.16 -3.73 0.00 0.00 0.03 0.00 0.00 46.19 42.33 3i1r s LEU 25 CO 0.11 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.03 3i1r n GLY 26 N -1.03 1.19 3.63 -3.19 0.00 -1.26 -4.76 105.19 99.77 3i1r n GLY 26 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3i1r n GLY 26 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i1r s GLY 27 N -1.27 0.08 0.27 -0.02 0.00 -1.26 -5.05 107.32 100.07 3i1r s GLY 27 Ca 0.00 2.85 -0.30 0.00 0.00 0.00 0.00 44.72 47.27 3i1r s GLY 27 CO 0.00 1.28 1.50 -1.35 0.00 0.00 0.00 173.10 174.53 3i1r s SER 28 N -0.79 6.54 0.00 1.64 1.04 -1.26 -3.41 113.70 117.46 3i1r s SER 28 Ca 0.07 2.78 0.00 0.00 0.48 0.00 0.00 55.95 59.28 3i1r s SER 28 Cb -0.02 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.47 3i1r s SER 28 CO -0.08 -0.79 0.00 1.41 0.98 0.00 0.00 173.24 174.76 3i1r n HIS 29 N 2.26 0.00 -0.51 5.02 8.25 -1.26 -4.97 115.22 124.01 3i1r n HIS 29 Ca 0.07 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.35 3i1r n HIS 29 Cb 0.39 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.49 3i1r n HIS 29 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3i1r n ARG 30 N 0.00 0.00 -0.11 -0.41 0.63 -1.22 -4.93 116.66 110.62 3i1r n ARG 30 Ca 0.00 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.78 3i1r n ARG 30 Cb 0.00 -0.39 -0.10 0.00 0.45 0.00 0.00 32.46 32.42 3i1r n ARG 30 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3i1r n ARG 31 N 0.39 0.54 -4.21 -0.14 1.74 -1.26 -4.85 116.66 108.88 3i1r n ARG 31 Ca 0.07 0.12 -0.18 0.00 -0.77 0.00 0.00 57.85 57.09 3i1r n ARG 31 Cb 0.08 -1.43 -0.12 0.00 -1.02 0.00 0.00 32.46 29.97 3i1r n ARG 31 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3i1r s TYR 32 N -2.43 1.31 0.03 -1.55 2.02 -1.26 -4.09 117.35 111.38 3i1r s TYR 32 Ca -0.29 -0.51 0.06 0.00 -0.37 0.00 0.00 57.07 55.96 3i1r s TYR 32 Cb 0.07 -0.71 -0.02 0.00 -0.40 0.00 0.00 41.96 40.90 3i1r s TYR 32 CO 0.50 0.10 -0.19 0.00 -1.57 0.00 0.00 175.55 174.39 3i1r s ALA 33 N -1.69 1.56 0.00 3.71 0.00 -1.26 -4.88 121.76 119.20 3i1r s ALA 33 Ca 0.03 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.06 3i1r s ALA 33 Cb -0.07 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.73 3i1r s ALA 33 CO 0.03 0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.54 3i1r n GLY 34 N 2.07 3.47 1.84 0.00 0.00 -1.26 0.20 105.19 111.51 3i1r n GLY 34 Ca -0.17 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3i1r n GLY 34 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i1r n VAL 35 N 0.00 0.00 -2.82 1.61 0.31 -1.26 -1.82 118.33 114.35 3i1r n VAL 35 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 3i1r n VAL 35 Cb 0.00 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 32.99 3i1r n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i1r n GLY 36 N 0.00 1.54 3.94 2.92 0.00 -1.25 -4.43 105.19 107.90 3i1r n GLY 36 Ca 0.00 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 3i1r n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i1r s ASP 37 N -1.72 4.45 0.03 1.61 1.01 -0.75 -4.72 116.67 116.57 3i1r s ASP 37 Ca 0.27 0.35 -0.04 0.00 0.71 0.00 0.00 52.55 53.83 3i1r s ASP 37 Cb 0.35 -0.85 -0.05 0.00 1.01 0.00 0.00 42.92 43.38 3i1r s ASP 37 CO -0.06 -1.84 0.25 -0.63 0.21 0.00 0.00 175.17 173.10 3i1r s ILE 38 N -3.37 5.33 0.12 0.77 -1.09 -1.26 -2.10 121.20 119.61 3i1r s ILE 38 Ca 0.63 -0.04 0.01 0.00 -2.23 0.00 0.00 60.65 59.02 3i1r s ILE 38 Cb -0.09 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.17 3i1r s ILE 38 CO 0.46 0.27 -0.02 -0.51 -1.23 0.00 0.00 174.94 173.91 3i1r s ILE 39 N -1.40 0.51 -0.03 2.92 2.07 -0.40 -3.60 121.20 121.27 3i1r s ILE 39 Ca 0.31 -1.92 0.01 0.00 -1.41 0.00 0.00 60.65 57.64 3i1r s ILE 39 Cb -0.13 -1.84 -0.03 0.00 0.13 0.00 0.00 42.46 40.59 3i1r s ILE 39 CO 0.20 -0.72 -0.03 -0.75 -1.91 0.00 0.00 174.94 171.74 3i1r s LYS 40 N -3.91 2.77 0.05 3.50 2.47 -0.04 -2.59 119.74 121.99 3i1r s LYS 40 Ca 0.16 -0.58 -0.01 0.00 -1.56 0.00 0.00 55.97 53.99 3i1r s LYS 40 Cb 0.06 -2.64 -0.04 0.00 -1.46 0.00 0.00 37.83 33.75 3i1r s LYS 40 CO -0.02 0.64 -0.03 -1.50 0.16 0.00 0.00 175.35 174.60 3i1r s ILE 41 N -0.97 0.27 -0.02 5.43 1.10 0.15 -0.24 121.20 126.92 3i1r s ILE 41 Ca 0.16 -1.73 0.01 0.00 -0.51 0.00 0.00 60.65 58.58 3i1r s ILE 41 Cb -0.11 -1.40 0.02 0.00 0.15 0.00 0.00 42.46 41.11 3i1r s ILE 41 CO 0.06 -0.93 -0.01 0.28 -2.11 0.00 0.00 174.94 172.24 3i1r s THR 42 N -3.61 0.18 -0.18 4.00 -1.32 0.58 -2.05 115.64 113.24 3i1r s THR 42 Ca 0.05 0.02 -0.29 0.00 -1.21 0.00 0.00 61.69 60.26 3i1r s THR 42 Cb 0.06 -0.24 -0.02 0.00 -1.51 0.00 0.00 72.50 70.79 3i1r s THR 42 CO -0.08 0.11 1.34 -0.63 -2.21 0.00 0.00 174.62 173.15 3i1r s ILE 43 N 0.67 4.13 -1.40 5.08 -1.09 -0.18 -0.10 121.20 128.31 3i1r s ILE 43 Ca -0.07 1.35 0.16 0.00 -2.23 0.00 0.00 60.65 59.87 3i1r s ILE 43 Cb -0.10 -3.94 -0.02 0.00 -1.58 0.00 0.00 42.46 36.82 3i1r s ILE 43 CO -0.01 -0.19 0.84 0.29 -1.23 0.00 0.00 174.94 174.64 3i1r n LYS 44 N 6.85 1.69 0.00 2.79 4.76 -0.33 -1.23 118.16 132.69 3i1r n LYS 44 Ca 0.15 -0.72 0.00 0.00 -2.87 0.00 0.00 58.31 54.87 3i1r n LYS 44 Cb 0.45 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 3i1r n LYS 44 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3i1r n GLU 45 N -0.27 0.00 -1.72 1.97 -0.58 -0.04 -4.85 120.64 115.15 3i1r n GLU 45 Ca 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 3i1r n GLU 45 Cb 0.33 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.20 3i1r n GLU 45 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i1r n ALA 46 N -1.37 -1.98 -2.80 0.62 0.00 0.00 -4.67 120.51 110.31 3i1r n ALA 46 Ca 0.00 0.49 -0.26 0.00 0.00 0.00 0.00 53.44 53.67 3i1r n ALA 46 Cb 0.00 -1.48 -0.05 0.00 0.00 0.00 0.00 19.45 17.92 3i1r n ALA 46 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3i1r s ILE 47 N -3.75 4.50 0.00 0.00 1.10 -0.70 -4.90 121.20 117.45 3i1r s ILE 47 Ca 0.00 -1.11 0.00 0.00 -0.51 0.00 0.00 60.65 59.03 3i1r s ILE 47 Cb 0.00 -3.31 0.00 0.00 0.15 0.00 0.00 42.46 39.30 3i1r s ILE 47 CO 0.00 -0.13 0.74 -2.65 -2.11 0.00 0.00 174.94 170.78 3i1r n PRO 48 N -0.44 0.00 0.00 3.50 -0.02 -1.26 -4.39 135.00 132.39 3i1r n PRO 48 Ca -0.08 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3i1r n PRO 48 Cb 0.55 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 3i1r n PRO 48 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3i1r n ARG 49 N -1.86 0.00 -1.07 -0.52 0.00 -1.26 -4.98 116.66 106.96 3i1r n ARG 49 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.96 3i1r n ARG 49 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 3i1r n ARG 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i1r n GLY 50 N 1.17 -1.85 0.10 5.14 0.00 -1.26 -4.72 105.19 103.78 3i1r n GLY 50 Ca 0.00 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 3i1r n GLY 50 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3i1r h LYS 51 N -1.26 0.18 -6.72 1.61 3.11 -1.92 -3.46 116.57 108.10 3i1r h LYS 51 Ca -0.10 -0.15 -0.46 0.00 -2.81 0.00 0.00 60.65 57.13 3i1r h LYS 51 Cb 0.97 0.03 0.04 0.00 -1.00 0.00 0.00 32.23 32.28 3i1r h LYS 51 CO 0.04 0.82 -0.08 0.14 -2.81 0.00 0.00 179.45 177.56 3i1r s VAL 52 N -3.50 2.41 0.34 2.00 -7.23 -1.24 -5.00 120.40 108.18 3i1r s VAL 52 Ca -0.16 -0.87 0.06 0.00 -1.81 0.00 0.00 61.98 59.20 3i1r s VAL 52 Cb 0.02 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 3i1r s VAL 52 CO 0.73 0.00 0.33 -1.59 -0.31 0.00 0.00 175.10 174.26 3i1r s LYS 53 N -4.71 1.82 0.77 4.82 -2.85 -1.26 -4.69 119.74 113.64 3i1r s LYS 53 Ca 0.61 -1.98 -0.13 0.00 -1.00 0.00 0.00 55.97 53.46 3i1r s LYS 53 Cb -0.07 0.35 0.06 0.00 -2.06 0.00 0.00 37.83 36.11 3i1r s LYS 53 CO 0.39 -0.70 1.17 0.15 0.10 0.00 0.00 175.35 176.46 3i1r s LYS 54 N -3.31 1.96 0.00 1.78 1.02 -1.26 -2.70 119.74 117.23 3i1r s LYS 54 Ca 0.39 1.62 0.00 0.00 0.02 0.00 0.00 55.97 57.99 3i1r s LYS 54 Cb 0.02 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 3i1r s LYS 54 CO 0.27 -1.94 0.00 0.41 -0.92 0.00 0.00 175.35 173.17 3i1r n GLY 55 N 0.10 0.08 3.72 -3.33 0.00 -0.36 -4.93 105.19 100.47 3i1r n GLY 55 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 3i1r n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i1r s ASP 56 N -2.07 4.27 -0.07 1.61 -0.00 -1.10 -4.73 116.67 114.58 3i1r s ASP 56 Ca 0.00 2.35 0.02 0.00 -0.00 0.00 0.00 52.55 54.91 3i1r s ASP 56 Cb 0.00 -2.59 0.02 0.00 -0.00 0.00 0.00 42.92 40.35 3i1r s ASP 56 CO 0.00 -2.21 -0.10 -0.69 -0.00 0.00 0.00 175.17 172.17 3i1r s VAL 57 N -1.98 0.98 0.00 -1.27 1.01 -1.26 -1.01 120.40 116.87 3i1r s VAL 57 Ca 0.74 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.35 3i1r s VAL 57 Cb -0.29 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.17 3i1r s VAL 57 CO 0.45 0.32 0.00 0.00 0.00 0.00 0.00 175.10 175.87 3i1r n LEU 58 N 4.00 0.00 -4.70 3.92 -0.00 -0.87 -4.92 117.00 114.42 3i1r n LEU 58 Ca -0.22 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.51 3i1r n LEU 58 Cb 0.51 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.85 3i1r n LEU 58 CO 0.24 0.00 -0.22 -0.54 -0.00 0.00 0.00 177.39 176.86 3i1r s LYS 59 N 0.57 2.11 0.03 1.47 1.02 -1.19 0.34 119.74 124.09 3i1r s LYS 59 Ca 0.00 -2.10 -0.28 0.00 0.02 0.00 0.00 55.97 53.60 3i1r s LYS 59 Cb 0.00 -1.73 0.09 0.00 -0.52 0.00 0.00 37.83 35.67 3i1r s LYS 59 CO 0.00 -0.18 0.94 0.00 -0.92 0.00 0.00 175.35 175.19 3i1r s ALA 60 N -2.73 -1.80 -0.08 5.17 0.00 -1.07 0.18 121.76 121.43 3i1r s ALA 60 Ca 0.30 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.04 3i1r s ALA 60 Cb 0.06 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.60 3i1r s ALA 60 CO 0.16 -0.80 -0.07 0.08 0.00 0.00 0.00 175.76 175.13 3i1r s VAL 61 N -3.10 3.68 0.04 0.00 1.01 -0.01 -1.28 120.40 120.74 3i1r s VAL 61 Ca 0.08 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 3i1r s VAL 61 Cb -0.01 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 3i1r s VAL 61 CO -0.05 0.58 1.24 -0.69 0.00 0.00 0.00 175.10 176.18 3i1r s VAL 62 N -0.57 3.96 -0.13 2.92 1.01 -0.89 0.14 120.40 126.83 3i1r s VAL 62 Ca 0.09 1.39 0.12 0.00 0.00 0.00 0.00 61.98 63.57 3i1r s VAL 62 Cb -0.12 -3.89 -0.16 0.00 0.00 0.00 0.00 36.38 32.21 3i1r s VAL 62 CO 0.02 0.07 0.04 0.52 0.00 0.00 0.00 175.10 175.76 3i1r n VAL 63 N 4.14 0.92 -3.82 2.92 0.31 0.11 -3.86 118.33 119.05 3i1r n VAL 63 Ca 0.10 -0.56 -0.13 0.00 -0.01 0.00 0.00 64.34 63.73 3i1r n VAL 63 Cb 0.46 -0.65 -0.15 0.00 -0.91 0.00 0.00 33.84 32.59 3i1r n VAL 63 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3i1r s ARG 64 N -2.32 -0.01 0.03 5.55 0.52 -0.95 -4.40 118.95 117.38 3i1r s ARG 64 Ca -0.07 0.11 0.02 0.00 -0.52 0.00 0.00 55.73 55.27 3i1r s ARG 64 Cb 0.04 -0.11 -0.02 0.00 0.52 0.00 0.00 34.95 35.38 3i1r s ARG 64 CO 0.54 -0.08 -0.07 0.95 0.02 0.00 0.00 175.30 176.66 3i1r s THR 65 N 0.53 0.45 -0.51 0.02 -4.23 -1.25 -1.49 115.64 109.15 3i1r s THR 65 Ca -0.04 -0.95 0.25 0.00 -1.18 0.00 0.00 61.69 59.77 3i1r s THR 65 Cb -0.06 -0.52 0.31 0.00 1.34 0.00 0.00 72.50 73.57 3i1r s THR 65 CO -0.02 -0.34 1.73 0.50 -0.54 0.00 0.00 174.62 175.95 3i1r h LYS 66 N 4.70 0.00 0.18 3.99 1.63 -1.68 -2.88 116.57 122.50 3i1r h LYS 66 Ca -0.34 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.45 3i1r h LYS 66 Cb 1.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 3i1r h LYS 66 CO 0.42 0.00 -0.08 -0.22 -3.45 0.00 0.00 179.45 176.11 3i1r h LYS 67 N 0.00 -0.23 0.00 1.90 3.11 -1.93 -3.40 116.57 116.03 3i1r h LYS 67 Ca 0.00 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 3i1r h LYS 67 Cb 0.77 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.05 3i1r h LYS 67 CO 0.00 0.19 0.00 0.41 -2.81 0.00 0.00 179.45 177.24 3i1r n GLY 68 N 0.35 0.38 0.00 5.01 0.00 -1.24 -4.77 105.19 104.91 3i1r n GLY 68 Ca -0.08 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3i1r n GLY 68 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i1r n VAL 69 N 0.00 0.00 0.00 1.61 0.31 -1.15 -4.42 118.33 114.68 3i1r n VAL 69 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i1r n VAL 69 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i1r n VAL 69 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i1r n ARG 70 N -0.51 0.00 0.00 5.55 5.12 -1.26 -2.07 116.66 123.48 3i1r n ARG 70 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3i1r n ARG 70 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3i1r n ARG 70 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3i1r n ARG 71 N -1.78 0.00 0.00 5.56 5.12 -1.26 -4.53 116.66 119.77 3i1r n ARG 71 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3i1r n ARG 71 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3i1r n ARG 71 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3i1r n PRO 72 N 0.00 3.96 0.00 5.56 -0.05 -1.26 -4.86 135.00 138.35 3i1r n PRO 72 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 3i1r n PRO 72 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.45 3i1r n PRO 72 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 3i1r n ASP 73 N 0.00 0.00 0.00 3.54 -0.08 -1.26 -3.75 116.55 115.00 3i1r n ASP 73 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3i1r n ASP 73 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3i1r n ASP 73 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i1r n GLY 74 N 0.00 1.64 3.46 0.27 0.00 -1.26 -5.12 105.19 104.17 3i1r n GLY 74 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3i1r n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i1r s SER 75 N -1.08 0.58 -0.10 1.61 0.01 -1.25 -5.00 113.70 108.48 3i1r s SER 75 Ca 0.00 1.40 -0.09 0.00 1.31 0.00 0.00 55.95 58.57 3i1r s SER 75 Cb 0.00 -2.15 0.03 0.00 0.21 0.00 0.00 66.02 64.10 3i1r s SER 75 CO 0.00 -4.43 0.26 -0.69 0.41 0.00 0.00 173.24 168.79 3i1r s VAL 76 N -2.43 0.00 -0.19 3.43 1.01 -1.25 -4.15 120.40 116.82 3i1r s VAL 76 Ca 0.69 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.66 3i1r s VAL 76 Cb -0.24 -0.37 0.01 0.00 0.00 0.00 0.00 36.38 35.79 3i1r s VAL 76 CO 0.64 -0.00 -0.16 -0.63 0.00 0.00 0.00 175.10 174.94 3i1r s ILE 77 N 0.12 2.36 0.22 2.22 1.09 -0.88 -4.97 121.20 121.36 3i1r s ILE 77 Ca -0.00 -0.84 0.07 0.00 -1.10 0.00 0.00 60.65 58.78 3i1r s ILE 77 Cb -0.02 -2.02 -0.04 0.00 -1.06 0.00 0.00 42.46 39.33 3i1r s ILE 77 CO 0.00 0.51 0.12 -0.13 -0.10 0.00 0.00 174.94 175.35 3i1r s ARG 78 N 1.33 2.74 0.06 2.79 0.52 -1.26 -2.93 118.95 122.19 3i1r s ARG 78 Ca 0.05 -1.07 0.07 0.00 -0.52 0.00 0.00 55.73 54.26 3i1r s ARG 78 Cb -0.13 -2.49 -0.03 0.00 0.52 0.00 0.00 34.95 32.82 3i1r s ARG 78 CO -0.11 0.43 -0.19 -0.06 0.02 0.00 0.00 175.30 175.38 3i1r s PHE 79 N -2.00 1.69 -0.97 -0.53 0.40 -1.09 -5.03 117.98 110.44 3i1r s PHE 79 Ca 0.31 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.26 3i1r s PHE 79 Cb -0.08 -0.98 0.00 0.00 0.51 0.00 0.00 43.02 42.46 3i1r s PHE 79 CO 0.23 0.11 0.91 -0.25 0.70 0.00 0.00 175.22 176.92 3i1r n ASP 80 N 1.62 0.00 -3.58 1.36 9.92 -1.26 -3.51 116.55 121.11 3i1r n ASP 80 Ca -0.18 0.41 -0.10 0.00 -0.53 0.00 0.00 54.79 54.39 3i1r n ASP 80 Cb 0.54 -0.41 -0.02 0.00 -0.64 0.00 0.00 41.12 40.58 3i1r n ASP 80 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3i1r s GLY 81 N -2.82 -0.43 0.10 0.44 0.00 -1.26 -4.95 107.32 98.41 3i1r s GLY 81 Ca 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 44.72 44.92 3i1r s GLY 81 CO 0.00 0.08 0.30 -1.31 0.00 0.00 0.00 173.10 172.16 3i1r s ASN 82 N -2.80 6.42 -0.21 1.64 0.01 -1.26 -3.88 114.94 114.86 3i1r s ASN 82 Ca 0.05 0.43 -0.29 0.00 -0.71 0.00 0.00 52.86 52.34 3i1r s ASN 82 Cb -0.03 -2.02 0.14 0.00 0.41 0.00 0.00 41.25 39.75 3i1r s ASN 82 CO -0.06 0.11 1.10 0.00 -1.51 0.00 0.00 177.10 176.74 3i1r s ALA 83 N -1.59 -1.99 0.31 0.60 0.00 -0.56 -1.59 121.76 116.94 3i1r s ALA 83 Ca 0.38 1.69 0.03 0.00 0.00 0.00 0.00 51.96 54.06 3i1r s ALA 83 Cb -0.13 -1.04 -0.05 0.00 0.00 0.00 0.00 23.12 21.90 3i1r s ALA 83 CO 0.26 -0.27 0.10 0.00 0.00 0.00 0.00 175.76 175.85 3i1r s VAL 85 N -3.52 1.96 0.13 0.00 1.01 0.12 -1.81 120.40 118.29 3i1r s VAL 85 Ca 0.35 -0.91 -0.31 0.00 0.00 0.00 0.00 61.98 61.12 3i1r s VAL 85 Cb 0.07 -1.75 -0.08 0.00 0.00 0.00 0.00 36.38 34.61 3i1r s VAL 85 CO 0.15 0.53 1.39 -0.76 0.00 0.00 0.00 175.10 176.41 3i1r s LEU 86 N 1.01 4.38 0.14 3.92 1.43 -1.26 -0.83 118.68 127.47 3i1r s LEU 86 Ca -0.03 2.37 0.08 0.00 -1.03 0.00 0.00 54.13 55.52 3i1r s LEU 86 Cb -0.15 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 3i1r s LEU 86 CO -0.06 -0.65 -0.12 -0.76 0.23 0.00 0.00 176.35 174.99 3i1r s LEU 87 N 0.92 2.91 0.31 1.79 1.43 0.48 -2.28 118.68 124.24 3i1r s LEU 87 Ca 0.64 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.94 3i1r s LEU 87 Cb -0.37 -1.68 -0.10 0.00 0.03 0.00 0.00 46.19 44.06 3i1r s LEU 87 CO 0.32 0.15 1.39 0.21 0.23 0.00 0.00 176.35 178.64 3i1r s ASN 88 N -2.42 6.65 0.12 2.29 2.47 -0.30 -3.19 114.94 120.57 3i1r s ASN 88 Ca 0.22 2.75 -0.20 0.00 0.42 0.00 0.00 52.86 56.05 3i1r s ASN 88 Cb -0.10 -2.64 -0.04 0.00 -1.45 0.00 0.00 41.25 37.01 3i1r s ASN 88 CO 0.13 -0.66 1.75 -1.13 -3.72 0.00 0.00 177.10 173.47 3i1r h ASN 89 N 3.87 0.06 1.10 -4.21 -0.00 -1.91 -2.73 115.58 111.76 3i1r h ASN 89 Ca -0.48 0.02 -0.10 0.00 -0.00 0.00 0.00 56.30 55.74 3i1r h ASN 89 Cb 1.23 0.02 -0.02 0.00 -0.00 0.00 0.00 38.32 39.55 3i1r h ASN 89 CO 0.69 0.06 -0.95 0.78 -0.00 0.00 0.00 177.43 178.02 3i1r h ASN 90 N 0.15 0.00 0.00 1.15 2.35 -1.99 -3.39 115.58 113.85 3i1r h ASN 90 Ca 0.09 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.79 3i1r h ASN 90 Cb 0.06 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.32 3i1r h ASN 90 CO -0.09 0.37 -0.60 -1.20 -1.65 0.00 0.00 177.43 174.26 3i1r n SER 91 N -2.95 1.50 0.00 5.81 7.64 -1.20 -5.08 113.62 119.34 3i1r n SER 91 Ca -0.03 -3.22 0.00 0.00 1.01 0.00 0.00 58.87 56.63 3i1r n SER 91 Cb 0.72 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 3i1r n SER 91 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3i1r n GLU 92 N -0.66 0.00 -1.97 1.43 -0.58 -1.03 -4.86 120.64 112.97 3i1r n GLU 92 Ca 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 3i1r n GLU 92 Cb 0.81 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.68 3i1r n GLU 92 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 3i1r n GLN 93 N 11.28 -5.13 -2.00 3.49 -0.06 -1.26 -2.14 117.38 121.55 3i1r n GLN 93 Ca 0.00 3.67 -0.41 0.00 -2.00 0.00 0.00 57.00 58.26 3i1r n GLN 93 Cb 0.00 -4.06 -0.02 0.00 -4.06 0.00 0.00 30.24 22.10 3i1r n GLN 93 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 3i1r s PRO 94 N -1.51 4.27 0.04 3.69 0.04 -1.26 -1.15 135.00 139.12 3i1r s PRO 94 Ca 0.00 2.33 -0.06 0.00 0.04 0.00 0.00 61.00 63.31 3i1r s PRO 94 Cb 0.00 -3.06 -0.30 0.00 0.04 0.00 0.00 34.50 31.18 3i1r s PRO 94 CO 0.00 -0.35 1.02 0.97 0.04 0.00 0.00 177.00 178.68 3i1r h ILE 95 N 3.20 1.35 -2.71 0.56 6.09 -1.77 -3.45 117.51 120.78 3i1r h ILE 95 Ca -0.48 -2.91 -0.36 0.00 -1.37 0.00 0.00 64.86 59.74 3i1r h ILE 95 Cb 1.23 2.91 0.20 0.00 0.47 0.00 0.00 36.82 41.63 3i1r h ILE 95 CO 0.70 0.86 -0.27 0.61 -3.07 0.00 0.00 178.15 176.98 3i1r n GLY 96 N 1.61 -3.06 0.00 8.18 0.00 -1.26 -4.90 105.19 105.76 3i1r n GLY 96 Ca -0.13 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3i1r n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i1r n THR 97 N -5.22 0.00 -4.19 2.61 -2.24 -1.26 -4.99 114.28 98.98 3i1r n THR 97 Ca 0.08 -0.12 -0.19 0.00 -2.27 0.00 0.00 64.05 61.55 3i1r n THR 97 Cb 0.54 1.13 -0.12 0.00 -2.10 0.00 0.00 70.33 69.78 3i1r n THR 97 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i1r s ARG 98 N -0.20 0.86 0.16 -0.78 1.81 -1.26 -5.05 118.95 114.50 3i1r s ARG 98 Ca 0.00 -0.98 0.08 0.00 -1.72 0.00 0.00 55.73 53.11 3i1r s ARG 98 Cb 0.00 -0.91 -0.04 0.00 -0.45 0.00 0.00 34.95 33.55 3i1r s ARG 98 CO 0.00 0.20 -0.06 0.42 -0.68 0.00 0.00 175.30 175.18 3i1r s ILE 99 N -1.25 3.42 0.09 1.52 1.09 -1.25 -2.76 121.20 122.06 3i1r s ILE 99 Ca -0.01 -1.50 0.06 0.00 -1.10 0.00 0.00 60.65 58.10 3i1r s ILE 99 Cb -0.10 -2.69 -0.03 0.00 -1.06 0.00 0.00 42.46 38.58 3i1r s ILE 99 CO 0.03 -0.07 -0.16 -0.36 -0.10 0.00 0.00 174.94 174.28 3i1r s PHE 100 N -1.63 1.40 0.24 3.97 0.40 0.33 -4.42 117.98 118.27 3i1r s PHE 100 Ca 0.25 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 56.12 3i1r s PHE 100 Cb -0.09 -0.77 0.00 0.00 0.51 0.00 0.00 43.02 42.67 3i1r s PHE 100 CO 0.16 0.11 0.00 0.41 0.70 0.00 0.00 175.22 176.60 3i1r n GLY 101 N 1.11 -2.14 3.68 4.36 0.00 -1.26 -4.75 105.19 106.19 3i1r n GLY 101 Ca -0.20 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 3i1r n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i1r s PRO 102 N -2.41 -0.38 0.33 1.61 0.04 -1.26 -4.16 135.00 128.76 3i1r s PRO 102 Ca 0.00 0.02 0.03 0.00 0.04 0.00 0.00 61.00 61.08 3i1r s PRO 102 Cb 0.00 -1.69 -0.01 0.00 0.04 0.00 0.00 34.50 32.84 3i1r s PRO 102 CO 0.00 -3.17 0.38 1.33 0.04 0.00 0.00 177.00 175.58 3i1r n VAL 103 N -4.39 0.00 -3.92 -0.36 0.24 -1.22 -4.92 118.33 103.75 3i1r n VAL 103 Ca 0.11 -2.04 -0.22 0.00 -2.04 0.00 0.00 64.34 60.15 3i1r n VAL 103 Cb 0.59 1.13 -0.05 0.00 -1.47 0.00 0.00 33.84 34.04 3i1r n VAL 103 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3i1r s THR 104 N -3.05 3.24 -1.08 3.34 -4.23 -1.26 -4.40 115.64 108.19 3i1r s THR 104 Ca 0.33 -1.51 0.19 0.00 -1.18 0.00 0.00 61.69 59.52 3i1r s THR 104 Cb 0.00 -3.08 0.20 0.00 1.34 0.00 0.00 72.50 70.96 3i1r s THR 104 CO 0.24 -0.16 1.62 -2.11 -0.54 0.00 0.00 174.62 173.66 3i1r n ARG 105 N -1.29 0.06 0.19 3.99 0.00 -1.26 -2.48 116.66 115.87 3i1r n ARG 105 Ca -0.02 0.16 0.14 0.00 -0.00 0.00 0.00 57.85 58.13 3i1r n ARG 105 Cb 0.61 -1.50 0.65 0.00 -0.00 0.00 0.00 32.46 32.21 3i1r n ARG 105 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3i1r h GLU 106 N 0.00 0.00 -0.38 2.89 3.07 -1.96 -2.16 114.58 116.04 3i1r h GLU 106 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3i1r h GLU 106 Cb 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 3i1r h GLU 106 CO 0.00 0.00 0.00 -0.11 -1.40 0.00 0.00 179.01 177.50 3i1r n LEU 107 N -2.52 2.13 -1.69 1.33 7.94 -1.04 -4.21 117.00 118.94 3i1r n LEU 107 Ca 0.00 -1.04 -0.00 0.00 -1.11 0.00 0.00 56.01 53.86 3i1r n LEU 107 Cb 0.17 -0.25 -0.00 0.00 0.53 0.00 0.00 43.42 43.87 3i1r n LEU 107 CO 0.19 0.52 0.66 -1.14 -1.11 0.00 0.00 177.39 176.51 3i1r n ARG 108 N 0.66 0.67 -2.66 1.96 3.00 -0.82 -4.61 116.66 114.85 3i1r n ARG 108 Ca 0.14 -0.02 -0.29 0.00 -0.00 0.00 0.00 57.85 57.68 3i1r n ARG 108 Cb 0.35 -1.20 -0.02 0.00 0.00 0.00 0.00 32.46 31.59 3i1r n ARG 108 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 3i1r s SER 109 N 2.01 6.41 0.09 6.15 0.01 -1.26 -5.02 113.70 122.09 3i1r s SER 109 Ca 0.01 1.11 -0.28 0.00 1.31 0.00 0.00 55.95 58.11 3i1r s SER 109 Cb 0.01 -2.32 -0.15 0.00 0.21 0.00 0.00 66.02 63.77 3i1r s SER 109 CO 0.00 -0.51 1.67 -0.33 0.41 0.00 0.00 173.24 174.48 3i1r h GLU 110 N 0.74 -0.45 0.00 12.44 4.39 -1.99 -2.36 114.58 127.36 3i1r h GLU 110 Ca -0.47 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.26 3i1r h GLU 110 Cb 1.19 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 3i1r h GLU 110 CO 0.63 -0.30 0.00 0.36 -1.16 0.00 0.00 179.01 178.54 3i1r n LYS 111 N -5.31 0.39 -0.80 2.33 0.00 -1.26 -2.28 118.16 111.22 3i1r n LYS 111 Ca -0.09 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.25 3i1r n LYS 111 Cb 0.22 -1.10 0.06 0.00 -0.00 0.00 0.00 35.03 34.21 3i1r n LYS 111 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3i1r n PHE 112 N -0.60 0.00 -0.09 5.58 0.99 -0.89 -4.62 117.46 117.83 3i1r n PHE 112 Ca 0.02 -0.53 -0.12 0.00 -0.00 0.00 0.00 57.45 56.81 3i1r n PHE 112 Cb 0.01 -0.13 -0.04 0.00 -1.00 0.00 0.00 39.48 38.32 3i1r n PHE 112 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 176.76 178.74 3i1r h MET 113 N 0.49 0.59 -1.01 -1.08 4.05 -1.45 -2.77 114.93 113.74 3i1r h MET 113 Ca -0.08 -0.28 0.24 0.00 -0.28 0.00 0.00 59.70 59.30 3i1r h MET 113 Cb 1.46 -0.01 -0.11 0.00 -0.80 0.00 0.00 31.60 32.14 3i1r h MET 113 CO 0.03 0.86 0.61 -0.22 0.23 0.00 0.00 176.91 178.43 3i1r h LYS 114 N 0.31 0.57 0.00 0.39 1.63 -1.87 -0.18 116.57 117.43 3i1r h LYS 114 Ca 0.05 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3i1r h LYS 114 Cb 0.70 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 3i1r h LYS 114 CO 0.05 0.38 0.00 0.97 -3.45 0.00 0.00 179.45 177.39 3i1r h ILE 115 N 0.59 0.00 0.00 2.00 2.10 -1.85 -2.41 117.51 117.94 3i1r h ILE 115 Ca 0.62 -0.49 -0.34 0.00 1.08 0.00 0.00 64.86 65.72 3i1r h ILE 115 Cb 1.20 1.48 -0.06 0.00 -1.09 0.00 0.00 36.82 38.35 3i1r h ILE 115 CO -0.41 0.00 -2.15 2.30 -1.08 0.00 0.00 178.15 176.81 3i1r n ILE 116 N -3.05 1.47 -0.11 2.19 -6.64 -0.14 -4.00 119.36 109.08 3i1r n ILE 116 Ca 0.01 -0.83 -0.12 0.00 -1.77 0.00 0.00 62.75 60.03 3i1r n ILE 116 Cb 0.30 -0.68 -0.03 0.00 -1.44 0.00 0.00 39.64 37.79 3i1r n ILE 116 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 3i1r h SER 117 N 0.00 0.75 0.00 7.28 0.02 -0.96 -3.39 113.55 117.25 3i1r h SER 117 Ca -0.46 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.08 3i1r h SER 117 Cb 2.16 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.49 3i1r h SER 117 CO 0.05 1.00 0.00 0.18 -1.14 0.00 0.00 176.83 176.92 3i1r n LEU 118 N -4.31 0.00 -1.77 5.07 4.32 -0.94 -4.94 117.00 114.42 3i1r n LEU 118 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 3i1r n LEU 118 Cb 0.41 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 3i1r n LEU 118 CO 0.43 0.00 -0.16 0.00 -1.22 0.00 0.00 177.39 176.45 3i1r n ALA 119 N -3.00 -1.32 -0.15 -1.18 0.00 -1.26 -4.79 120.51 108.82 3i1r n ALA 119 Ca 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 53.44 53.57 3i1r n ALA 119 Cb 0.00 -0.82 0.05 0.00 0.00 0.00 0.00 19.45 18.69 3i1r n ALA 119 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3i1r h PRO 120 N 3.58 0.09 -5.02 0.00 0.13 -1.82 -3.47 132.00 125.50 3i1r h PRO 120 Ca 0.00 -0.01 -0.53 0.00 -0.87 0.00 0.00 66.00 64.59 3i1r h PRO 120 Cb 0.00 -0.02 -0.13 0.00 0.13 0.00 0.00 31.00 30.98 3i1r h PRO 120 CO 0.00 0.06 -0.52 -2.00 -0.23 0.00 0.00 178.00 175.31 3i1r s GLU 121 N -6.18 1.87 0.00 0.86 2.12 -1.26 -5.06 118.70 111.05 3i1r s GLU 121 Ca -0.14 -2.13 0.00 0.00 0.36 0.00 0.00 54.97 53.07 3i1r s GLU 121 Cb 0.16 -0.47 0.00 0.00 0.26 0.00 0.00 34.13 34.08 3i1r s GLU 121 CO 0.72 -0.49 0.00 0.28 -0.54 0.00 0.00 175.26 175.23