#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1r n ASN 2 N 0.00 0.00 0.11 6.43 5.15 -1.26 -4.76 115.26 120.93 3i1r n ASN 2 Ca 0.00 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.03 3i1r n ASN 2 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3i1r n ASN 2 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 3i1r h ILE 3 N 0.00 0.41 -1.27 -1.44 -0.00 -2.05 -3.36 117.51 109.81 3i1r h ILE 3 Ca 0.00 -1.68 0.00 0.00 -0.00 0.00 0.00 64.86 63.18 3i1r h ILE 3 Cb 0.00 2.01 0.00 0.00 -0.00 0.00 0.00 36.82 38.83 3i1r h ILE 3 CO 0.00 0.23 0.00 -0.38 -0.00 0.00 0.00 178.15 178.00 3i1r n ILE 4 N -2.96 0.00 0.00 2.19 5.41 -1.26 -2.97 119.36 119.76 3i1r n ILE 4 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 3i1r n ILE 4 Cb 0.70 -0.96 0.00 0.00 -0.71 0.00 0.00 39.64 38.67 3i1r n ILE 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3i1r n LYS 5 N -1.20 0.00 -0.62 0.38 3.00 -1.26 -2.79 118.16 115.67 3i1r n LYS 5 Ca 0.00 0.00 0.47 0.00 -0.00 0.00 0.00 58.31 58.78 3i1r n LYS 5 Cb 0.00 0.00 0.72 0.00 0.00 0.00 0.00 35.03 35.75 3i1r n LYS 5 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 3i1r n GLN 6 N 0.00 -0.00 0.03 1.64 0.00 -1.26 0.14 117.38 117.93 3i1r n GLN 6 Ca 0.00 0.96 0.04 0.00 -0.00 0.00 0.00 57.00 58.00 3i1r n GLN 6 Cb 0.00 -2.20 -0.08 0.00 0.00 0.00 0.00 30.24 27.95 3i1r n GLN 6 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3i1r n LEU 7 N -3.73 0.62 -0.11 1.69 7.94 -1.12 -3.62 117.00 118.67 3i1r n LEU 7 Ca 0.39 0.26 -0.20 0.00 -1.11 0.00 0.00 56.01 55.35 3i1r n LEU 7 Cb 1.76 0.07 -0.08 0.00 0.53 0.00 0.00 43.42 45.70 3i1r n LEU 7 CO 0.38 0.07 -0.74 -0.62 -1.11 0.00 0.00 177.39 175.37 3i1r n GLU 8 N -2.71 0.55 0.32 1.96 1.02 0.21 -4.34 120.64 117.65 3i1r n GLU 8 Ca -0.09 0.45 0.22 0.00 -0.02 0.00 0.00 57.16 57.73 3i1r n GLU 8 Cb 0.75 -1.64 1.16 0.00 -0.02 0.00 0.00 31.44 31.69 3i1r n GLU 8 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 3i1r h GLN 9 N -1.00 0.00 0.00 3.49 3.07 0.11 2.04 115.11 122.81 3i1r h GLN 9 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.40 3i1r h GLN 9 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.77 3i1r h GLN 9 CO -0.21 0.00 0.00 -0.85 0.09 0.00 0.00 178.83 177.86 3i1r n GLU 10 N -3.00 0.48 -0.00 0.06 0.28 -1.24 -3.23 120.64 113.98 3i1r n GLU 10 Ca -0.03 0.05 0.01 0.00 -0.16 0.00 0.00 57.16 57.03 3i1r n GLU 10 Cb 0.07 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.43 3i1r n GLU 10 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3i1r n GLN 11 N -1.15 0.71 -1.97 3.44 6.02 0.69 -5.06 117.38 120.06 3i1r n GLN 11 Ca 0.13 -0.01 -0.38 0.00 -0.01 0.00 0.00 57.00 56.72 3i1r n GLN 11 Cb 0.12 -0.99 0.02 0.00 1.02 0.00 0.00 30.24 30.41 3i1r n GLN 11 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3i1r s MET 12 N -2.01 3.51 0.33 -1.09 -1.94 -0.96 -5.00 119.30 112.14 3i1r s MET 12 Ca -0.00 2.10 -0.27 0.00 -1.71 0.00 0.00 55.69 55.80 3i1r s MET 12 Cb 0.01 -2.42 -0.09 0.00 2.01 0.00 0.00 34.83 34.34 3i1r s MET 12 CO 0.06 -0.85 1.12 0.15 -0.01 0.00 0.00 175.02 175.49 3i1r s LYS 13 N -2.69 4.41 -0.60 2.03 1.02 -1.26 -5.02 119.74 117.63 3i1r s LYS 13 Ca 0.66 1.78 0.06 0.00 0.02 0.00 0.00 55.97 58.49 3i1r s LYS 13 Cb -0.37 -2.95 0.24 0.00 -0.52 0.00 0.00 37.83 34.23 3i1r s LYS 13 CO 0.45 0.01 0.66 0.00 -0.92 0.00 0.00 175.35 175.55 3i1r n GLN 14 N 0.69 2.04 0.00 1.68 10.64 -1.26 -4.61 117.38 126.56 3i1r n GLN 14 Ca 0.01 -4.35 0.00 0.00 -1.83 0.00 0.00 57.00 50.84 3i1r n GLN 14 Cb 0.46 -2.06 0.00 0.00 -0.86 0.00 0.00 30.24 27.78 3i1r n GLN 14 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 3i1r n ASP 15 N 1.16 0.00 -4.46 2.61 5.75 -1.26 -5.08 116.55 115.28 3i1r n ASP 15 Ca 0.27 -0.25 -0.48 0.00 -0.01 0.00 0.00 54.79 54.32 3i1r n ASP 15 Cb 0.43 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.44 3i1r n ASP 15 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 3i1r n VAL 16 N 0.00 0.14 -0.77 2.12 0.24 -1.26 -4.90 118.33 113.90 3i1r n VAL 16 Ca 0.00 -0.29 -0.29 0.00 -2.04 0.00 0.00 64.34 61.72 3i1r n VAL 16 Cb 0.06 -1.64 0.25 0.00 -1.47 0.00 0.00 33.84 31.04 3i1r n VAL 16 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3i1r s PRO 17 N 6.69 -1.37 -0.07 7.34 0.04 -1.26 -4.98 135.00 141.39 3i1r s PRO 17 Ca 1.11 0.31 -0.15 0.00 0.04 0.00 0.00 61.00 62.31 3i1r s PRO 17 Cb -0.83 -1.55 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 3i1r s PRO 17 CO 0.47 -3.89 0.39 0.45 0.04 0.00 0.00 177.00 174.45 3i1r s SER 18 N -3.26 6.67 0.00 6.66 0.15 -1.26 -5.03 113.70 117.64 3i1r s SER 18 Ca 0.69 0.80 0.00 0.00 0.70 0.00 0.00 55.95 58.14 3i1r s SER 18 Cb -0.16 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 3i1r s SER 18 CO 0.59 0.20 0.00 0.49 1.20 0.00 0.00 173.24 175.72 3i1r n PHE 19 N 2.70 0.00 -0.06 3.44 0.99 -1.26 -4.93 117.46 118.34 3i1r n PHE 19 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.33 3i1r n PHE 19 Cb 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.00 3i1r n PHE 19 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 3i1r n ARG 20 N -0.31 -0.16 -1.77 -1.08 0.63 -1.26 -4.77 116.66 107.94 3i1r n ARG 20 Ca 0.00 0.11 -0.41 0.00 -0.92 0.00 0.00 57.85 56.63 3i1r n ARG 20 Cb 0.00 -0.13 -0.01 0.00 0.45 0.00 0.00 32.46 32.77 3i1r n ARG 20 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3i1r s PRO 21 N -4.73 4.11 0.00 -0.14 0.04 -1.26 -2.29 135.00 130.72 3i1r s PRO 21 Ca 0.00 2.59 0.00 0.00 0.04 0.00 0.00 61.00 63.63 3i1r s PRO 21 Cb 0.00 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.53 3i1r s PRO 21 CO 0.00 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.82 3i1r n GLY 22 N 1.86 3.11 3.09 0.56 0.00 -0.41 -4.69 105.19 108.71 3i1r n GLY 22 Ca 0.07 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 3i1r n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i1r n ASP 23 N 0.79 -2.72 0.00 1.61 10.43 -0.97 -3.71 116.55 121.98 3i1r n ASP 23 Ca 0.00 -0.08 0.00 0.00 2.57 0.00 0.00 54.79 57.28 3i1r n ASP 23 Cb 0.00 -0.68 0.00 0.00 1.84 0.00 0.00 41.12 42.28 3i1r n ASP 23 CO 0.00 0.00 0.00 1.07 -1.07 0.00 0.00 177.20 177.20 3i1r n THR 24 N -3.89 0.08 0.00 -3.53 5.66 -0.17 -2.33 114.28 110.11 3i1r n THR 24 Ca -0.01 -0.40 0.00 0.00 -3.05 0.00 0.00 64.05 60.59 3i1r n THR 24 Cb 0.65 1.20 0.00 0.00 -1.55 0.00 0.00 70.33 70.63 3i1r n THR 24 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 3i1r n VAL 25 N -0.04 0.00 -4.10 1.08 3.14 0.00 -3.58 118.33 114.83 3i1r n VAL 25 Ca 0.00 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.05 3i1r n VAL 25 Cb 0.10 0.00 -0.16 0.00 -1.06 0.00 0.00 33.84 32.72 3i1r n VAL 25 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 3i1r s GLU 26 N 0.00 2.76 -0.23 1.45 2.12 -0.70 -2.34 118.70 121.76 3i1r s GLU 26 Ca 0.00 -0.98 -0.11 0.00 0.36 0.00 0.00 54.97 54.24 3i1r s GLU 26 Cb 0.00 -2.66 -0.05 0.00 0.26 0.00 0.00 34.13 31.68 3i1r s GLU 26 CO 0.00 -0.32 0.17 0.08 -0.54 0.00 0.00 175.26 174.65 3i1r s VAL 27 N 1.23 5.36 0.20 3.70 1.01 0.31 -2.89 120.40 129.32 3i1r s VAL 27 Ca 0.01 0.21 -0.19 0.00 0.00 0.00 0.00 61.98 62.01 3i1r s VAL 27 Cb -0.15 -3.51 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 3i1r s VAL 27 CO -0.11 0.36 0.69 -0.54 0.00 0.00 0.00 175.10 175.50 3i1r s LYS 28 N 0.96 4.21 -0.07 2.72 1.02 0.29 -0.79 119.74 128.07 3i1r s LYS 28 Ca 0.08 0.80 -0.03 0.00 0.02 0.00 0.00 55.97 56.85 3i1r s LYS 28 Cb -0.13 -2.92 0.04 0.00 -0.52 0.00 0.00 37.83 34.30 3i1r s LYS 28 CO 0.04 0.43 0.15 0.08 -0.92 0.00 0.00 175.35 175.13 3i1r s VAL 29 N -1.48 -0.10 0.59 3.17 1.01 0.10 -3.72 120.40 119.98 3i1r s VAL 29 Ca 0.41 0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.42 3i1r s VAL 29 Cb -0.17 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 3i1r s VAL 29 CO 0.21 0.09 1.15 0.79 0.00 0.00 0.00 175.10 177.33 3i1r n TRP 30 N 4.47 1.47 -3.65 5.22 7.02 -0.33 -0.93 117.44 130.71 3i1r n TRP 30 Ca -0.22 0.44 -0.03 0.00 -1.02 0.00 0.00 57.50 56.67 3i1r n TRP 30 Cb 0.51 -2.23 -0.05 0.00 -2.42 0.00 0.00 31.31 27.12 3i1r n TRP 30 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 3i1r s VAL 31 N -1.42 -0.75 -0.22 -0.99 0.11 -0.69 -4.81 120.40 111.64 3i1r s VAL 31 Ca 0.76 0.01 -0.29 0.00 -2.93 0.00 0.00 61.98 59.54 3i1r s VAL 31 Cb -0.41 -0.97 -0.06 0.00 -1.53 0.00 0.00 36.38 33.41 3i1r s VAL 31 CO 0.46 0.00 2.21 0.52 -3.33 0.00 0.00 175.10 174.97 3i1r n VAL 32 N 5.19 0.35 0.00 2.04 0.31 -1.26 -3.67 118.33 121.29 3i1r n VAL 32 Ca -0.14 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 3i1r n VAL 32 Cb 0.51 -2.49 0.00 0.00 -0.91 0.00 0.00 33.84 30.95 3i1r n VAL 32 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i1r n GLU 33 N 8.67 0.00 0.00 5.55 4.07 -0.45 -4.93 120.64 133.55 3i1r n GLU 33 Ca 0.30 0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.44 3i1r n GLU 33 Cb 0.43 -0.60 0.00 0.00 -0.06 0.00 0.00 31.44 31.21 3i1r n GLU 33 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i1r n GLY 34 N -0.14 0.10 0.00 8.31 0.00 -1.26 -4.88 105.19 107.33 3i1r n GLY 34 Ca 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 45.95 3i1r n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i1r n SER 35 N -1.68 3.40 -3.55 1.61 7.64 -1.26 -5.06 113.62 114.72 3i1r n SER 35 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.71 3i1r n SER 35 Cb 0.00 1.28 -0.03 0.00 -1.01 0.00 0.00 64.21 64.46 3i1r n SER 35 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3i1r n LYS 36 N -1.77 1.22 -2.92 1.43 4.01 -1.26 -5.11 118.16 113.76 3i1r n LYS 36 Ca -0.02 -2.05 -0.14 0.00 -0.51 0.00 0.00 58.31 55.59 3i1r n LYS 36 Cb 0.21 0.45 0.02 0.00 -0.51 0.00 0.00 35.03 35.20 3i1r n LYS 36 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 3i1r n LYS 37 N -0.88 0.83 -2.50 1.97 0.00 -1.26 -1.34 118.16 114.97 3i1r n LYS 37 Ca -0.09 -2.37 -0.15 0.00 -0.00 0.00 0.00 58.31 55.71 3i1r n LYS 37 Cb 0.36 -1.35 0.06 0.00 -0.00 0.00 0.00 35.03 34.10 3i1r n LYS 37 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3i1r n ARG 38 N 1.18 0.65 -3.54 -1.58 1.85 -1.24 -4.79 116.66 109.19 3i1r n ARG 38 Ca 0.14 -2.40 -0.37 0.00 -1.00 0.00 0.00 57.85 54.22 3i1r n ARG 38 Cb 0.62 -0.21 -0.06 0.00 -1.05 0.00 0.00 32.46 31.76 3i1r n ARG 38 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3i1r s LEU 39 N 0.00 4.42 0.07 2.89 1.02 -1.26 -1.70 118.68 124.12 3i1r s LEU 39 Ca 0.48 0.88 0.08 0.00 0.02 0.00 0.00 54.13 55.59 3i1r s LEU 39 Cb -0.04 -2.71 -0.03 0.00 0.02 0.00 0.00 46.19 43.43 3i1r s LEU 39 CO 0.30 0.27 -0.21 -1.58 0.02 0.00 0.00 176.35 175.16 3i1r s GLN 40 N -1.39 1.88 -0.07 1.70 0.74 -0.11 -4.89 119.66 117.53 3i1r s GLN 40 Ca 0.27 -1.09 -0.03 0.00 0.05 0.00 0.00 55.36 54.56 3i1r s GLN 40 Cb -0.15 -2.10 -0.04 0.00 1.10 0.00 0.00 33.01 31.82 3i1r s GLN 40 CO 0.15 0.51 0.07 0.00 -0.55 0.00 0.00 175.29 175.47 3i1r s ALA 41 N -0.96 3.57 -0.04 1.58 0.00 -1.26 0.01 121.76 124.67 3i1r s ALA 41 Ca 0.15 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 3i1r s ALA 41 Cb -0.10 -1.67 0.03 0.00 0.00 0.00 0.00 23.12 21.38 3i1r s ALA 41 CO 0.06 0.63 0.06 0.12 0.00 0.00 0.00 175.76 176.63 3i1r s PHE 42 N -1.03 0.01 -0.08 0.00 2.19 0.03 -4.99 117.98 114.12 3i1r s PHE 42 Ca 0.17 0.24 -0.03 0.00 0.33 0.00 0.00 56.93 57.64 3i1r s PHE 42 Cb -0.12 -0.33 0.04 0.00 -1.31 0.00 0.00 43.02 41.31 3i1r s PHE 42 CO 0.07 -0.15 0.16 -2.00 1.83 0.00 0.00 175.22 175.13 3i1r s GLU 43 N 1.61 0.07 0.00 10.12 2.12 -1.26 0.11 118.70 131.47 3i1r s GLU 43 Ca -0.03 0.48 0.00 0.00 0.36 0.00 0.00 54.97 55.78 3i1r s GLU 43 Cb -0.12 -0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.05 3i1r s GLU 43 CO -0.03 -0.24 0.00 0.41 -0.54 0.00 0.00 175.26 174.86 3i1r n GLY 44 N 4.76 3.06 3.73 -1.50 0.00 -0.99 -4.85 105.19 109.41 3i1r n GLY 44 Ca -0.16 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 3i1r n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1r s VAL 45 N -1.00 4.74 -0.46 1.61 1.01 0.38 -3.77 120.40 122.90 3i1r s VAL 45 Ca 0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 3i1r s VAL 45 Cb 0.00 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.36 3i1r s VAL 45 CO 0.00 0.59 1.33 -0.69 0.00 0.00 0.00 175.10 176.32 3i1r s VAL 46 N -0.73 3.97 -1.62 2.92 1.01 -0.98 -0.74 120.40 124.23 3i1r s VAL 46 Ca 0.12 0.96 0.14 0.00 0.00 0.00 0.00 61.98 63.20 3i1r s VAL 46 Cb -0.12 -4.38 0.18 0.00 0.00 0.00 0.00 36.38 32.06 3i1r s VAL 46 CO 0.03 -0.93 1.04 2.30 0.00 0.00 0.00 175.10 177.54 3i1r n ILE 47 N 6.97 0.25 -3.64 2.22 -5.35 -0.45 -1.29 119.36 118.07 3i1r n ILE 47 Ca 0.14 -0.63 -0.10 0.00 -0.27 0.00 0.00 62.75 61.90 3i1r n ILE 47 Cb 0.49 1.09 -0.07 0.00 -1.74 0.00 0.00 39.64 39.41 3i1r n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i1r s ALA 48 N -1.14 -1.96 -0.12 -1.28 0.00 -1.23 -1.31 121.76 114.72 3i1r s ALA 48 Ca 0.20 1.90 0.01 0.00 0.00 0.00 0.00 51.96 54.07 3i1r s ALA 48 Cb 0.13 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.85 3i1r s ALA 48 CO 0.18 -0.25 -0.15 0.42 0.00 0.00 0.00 175.76 175.96 3i1r s ILE 49 N 0.26 1.56 0.00 0.00 1.01 -1.26 -0.90 121.20 121.87 3i1r s ILE 49 Ca 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.01 3i1r s ILE 49 Cb -0.05 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.99 3i1r s ILE 49 CO -0.06 0.45 0.00 -2.11 0.00 0.00 0.00 174.94 173.23 3i1r n ARG 50 N 4.36 0.00 -1.43 2.79 -4.01 -0.22 -5.00 116.66 113.16 3i1r n ARG 50 Ca -0.18 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.63 3i1r n ARG 50 Cb 0.51 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.93 3i1r n ARG 50 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 3i1r n ASN 51 N 0.00 -1.91 -2.84 2.89 3.02 -1.26 -4.92 115.26 110.24 3i1r n ASN 51 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 3i1r n ASN 51 Cb 0.00 -0.95 0.05 0.00 -0.61 0.00 0.00 39.78 38.27 3i1r n ASN 51 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i1r n ARG 52 N -0.59 0.95 0.00 3.52 5.12 -1.26 -4.92 116.66 119.47 3i1r n ARG 52 Ca 0.00 -2.21 0.00 0.00 -1.93 0.00 0.00 57.85 53.71 3i1r n ARG 52 Cb 0.12 -1.24 0.00 0.00 -1.16 0.00 0.00 32.46 30.17 3i1r n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i1r n GLY 53 N 0.66 1.92 0.20 -0.13 0.00 -1.26 0.62 105.19 107.21 3i1r n GLY 53 Ca 0.11 0.24 0.14 0.00 0.00 0.00 0.00 46.02 46.51 3i1r n GLY 53 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i1r h LEU 54 N 0.00 0.00 -2.07 0.99 5.85 -1.99 -2.16 115.31 115.92 3i1r h LEU 54 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3i1r h LEU 54 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3i1r h LEU 54 CO 0.00 0.00 0.00 1.41 -0.34 0.00 0.00 178.44 179.51 3i1r n HIS 55 N -2.54 0.26 -1.62 1.25 8.25 0.20 -4.62 115.22 116.41 3i1r n HIS 55 Ca 0.00 -0.13 -0.39 0.00 -0.26 0.00 0.00 57.72 56.94 3i1r n HIS 55 Cb 0.17 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.31 3i1r n HIS 55 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3i1r n SER 56 N 1.35 1.09 -3.58 0.41 7.64 -0.82 -4.76 113.62 114.96 3i1r n SER 56 Ca 0.17 0.90 -0.01 0.00 1.01 0.00 0.00 58.87 60.93 3i1r n SER 56 Cb 0.59 -1.39 -0.06 0.00 -1.01 0.00 0.00 64.21 62.34 3i1r n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i1r s ALA 57 N -1.42 -2.40 0.33 -0.43 0.00 -1.26 -1.85 121.76 114.73 3i1r s ALA 57 Ca 0.71 2.16 0.07 0.00 0.00 0.00 0.00 51.96 54.90 3i1r s ALA 57 Cb -0.46 -1.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.83 3i1r s ALA 57 CO 0.51 -0.53 0.31 -0.59 0.00 0.00 0.00 175.76 175.45 3i1r s PHE 58 N 1.68 2.94 -0.11 0.00 -0.12 -1.14 -1.05 117.98 120.19 3i1r s PHE 58 Ca -0.07 -0.28 0.03 0.00 -0.05 0.00 0.00 56.93 56.57 3i1r s PHE 58 Cb -0.04 -1.79 0.00 0.00 -0.63 0.00 0.00 43.02 40.56 3i1r s PHE 58 CO -0.16 0.19 -0.22 0.99 -0.05 0.00 0.00 175.22 175.97 3i1r s THR 59 N -2.28 1.97 -0.17 -4.49 2.01 -0.08 -2.31 115.64 110.29 3i1r s THR 59 Ca 0.41 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.45 3i1r s THR 59 Cb -0.06 -1.72 0.01 0.00 0.01 0.00 0.00 72.50 70.74 3i1r s THR 59 CO 0.27 0.54 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.89 3i1r s VAL 60 N 0.48 2.52 0.27 3.82 1.01 0.10 -1.35 120.40 127.26 3i1r s VAL 60 Ca -0.16 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 60.83 3i1r s VAL 60 Cb -0.17 -2.07 -0.09 0.00 0.00 0.00 0.00 36.38 34.05 3i1r s VAL 60 CO 0.06 0.51 0.76 -0.13 0.00 0.00 0.00 175.10 176.30 3i1r s ARG 61 N 1.09 4.21 0.00 2.72 1.81 0.08 -0.07 118.95 128.79 3i1r s ARG 61 Ca -0.00 0.86 0.00 0.00 -1.72 0.00 0.00 55.73 54.87 3i1r s ARG 61 Cb -0.14 -2.70 0.00 0.00 -0.45 0.00 0.00 34.95 31.65 3i1r s ARG 61 CO -0.05 0.29 0.00 1.17 -0.68 0.00 0.00 175.30 176.03 3i1r n LYS 62 N 0.32 2.14 -3.57 3.54 4.81 -0.42 -0.47 118.16 124.51 3i1r n LYS 62 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.19 3i1r n LYS 62 Cb 0.52 -0.65 0.01 0.00 0.02 0.00 0.00 35.03 34.92 3i1r n LYS 62 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3i1r n ILE 63 N -0.80 -3.00 -3.21 3.15 5.41 -1.26 -4.84 119.36 114.81 3i1r n ILE 63 Ca 0.00 0.01 -0.31 0.00 1.00 0.00 0.00 62.75 63.45 3i1r n ILE 63 Cb 0.10 -2.69 -0.04 0.00 -0.71 0.00 0.00 39.64 36.30 3i1r n ILE 63 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3i1r s SER 64 N -2.51 6.58 0.00 4.38 0.15 -1.12 -4.85 113.70 116.34 3i1r s SER 64 Ca 0.08 0.99 0.00 0.00 0.70 0.00 0.00 55.95 57.72 3i1r s SER 64 Cb -0.01 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 3i1r s SER 64 CO 0.80 -0.20 0.00 -0.46 1.20 0.00 0.00 173.24 174.58 3i1r n ASN 65 N -0.64 0.00 0.00 5.45 6.94 -1.26 -2.63 115.26 123.11 3i1r n ASN 65 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.57 3i1r n ASN 65 Cb 0.53 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.95 3i1r n ASN 65 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3i1r n GLY 66 N 0.00 1.06 0.00 4.83 0.00 -1.26 -5.00 105.19 104.82 3i1r n GLY 66 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 3i1r n GLY 66 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i1r n GLU 67 N 0.00 1.05 -1.06 1.61 4.07 -1.08 -5.06 120.64 120.17 3i1r n GLU 67 Ca 0.00 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.81 3i1r n GLU 67 Cb 0.00 0.00 0.16 0.00 -0.06 0.00 0.00 31.44 31.54 3i1r n GLU 67 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 3i1r s GLY 68 N -0.98 1.61 -0.23 8.31 0.00 -1.26 -2.81 107.32 111.95 3i1r s GLY 68 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 44.72 44.54 3i1r s GLY 68 CO 0.00 0.48 0.56 0.54 0.00 0.00 0.00 173.10 174.68 3i1r s VAL 69 N -2.84 -0.10 0.05 1.40 0.11 -1.26 -4.73 120.40 113.02 3i1r s VAL 69 Ca 0.65 0.05 -0.06 0.00 -2.93 0.00 0.00 61.98 59.69 3i1r s VAL 69 Cb -0.19 -0.83 -0.05 0.00 -1.53 0.00 0.00 36.38 33.78 3i1r s VAL 69 CO 0.58 0.02 0.30 -1.61 -3.33 0.00 0.00 175.10 171.06 3i1r s GLU 70 N 1.67 3.59 0.02 1.54 2.02 -1.26 -1.30 118.70 124.98 3i1r s GLU 70 Ca -0.09 -0.10 0.03 0.00 0.02 0.00 0.00 54.97 54.83 3i1r s GLU 70 Cb -0.07 -3.02 -0.01 0.00 0.10 0.00 0.00 34.13 31.13 3i1r s GLU 70 CO -0.17 0.60 -0.09 0.50 0.02 0.00 0.00 175.26 176.12 3i1r s ARG 71 N -2.06 0.69 -0.36 1.61 3.52 0.90 -4.94 118.95 118.31 3i1r s ARG 71 Ca 0.32 -0.50 0.03 0.00 -0.13 0.00 0.00 55.73 55.45 3i1r s ARG 71 Cb -0.13 -0.63 0.11 0.00 -1.56 0.00 0.00 34.95 32.73 3i1r s ARG 71 CO 0.20 0.16 0.10 0.14 -0.81 0.00 0.00 175.30 175.08 3i1r s VAL 72 N -0.59 1.99 0.42 7.11 -7.23 -1.26 0.00 120.40 120.83 3i1r s VAL 72 Ca 0.00 -2.29 -0.17 0.00 -1.81 0.00 0.00 61.98 57.71 3i1r s VAL 72 Cb -0.06 -2.46 -0.09 0.00 0.56 0.00 0.00 36.38 34.34 3i1r s VAL 72 CO 0.00 -0.66 0.88 -0.36 -0.31 0.00 0.00 175.10 174.65 3i1r s PHE 73 N 0.87 3.39 -0.54 2.82 0.08 -0.98 -4.96 117.98 118.67 3i1r s PHE 73 Ca 0.12 1.38 -0.14 0.00 0.12 0.00 0.00 56.93 58.41 3i1r s PHE 73 Cb -0.20 -2.69 0.13 0.00 -0.57 0.00 0.00 43.02 39.69 3i1r s PHE 73 CO -0.10 -0.12 0.48 -0.65 -0.10 0.00 0.00 175.22 174.72 3i1r s GLN 74 N -3.46 2.90 0.48 0.44 -1.52 -1.26 -2.90 119.66 114.33 3i1r s GLN 74 Ca 0.58 -1.75 0.27 0.00 -1.95 0.00 0.00 55.36 52.50 3i1r s GLN 74 Cb -0.10 -4.22 1.33 0.00 -0.22 0.00 0.00 33.01 29.80 3i1r s GLN 74 CO 0.22 -1.30 1.84 1.79 -0.25 0.00 0.00 175.29 177.58 3i1r h THR 75 N 5.90 0.54 -0.22 -0.19 1.35 -1.71 0.21 112.91 118.79 3i1r h THR 75 Ca -0.27 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3i1r h THR 75 Cb 1.09 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 3i1r h THR 75 CO 0.99 0.03 0.00 1.41 -0.25 0.00 0.00 175.52 177.70 3i1r n HIS 76 N -4.38 0.29 -2.68 4.73 8.25 -1.26 -4.89 115.22 115.27 3i1r n HIS 76 Ca 0.22 -0.15 -0.42 0.00 -0.26 0.00 0.00 57.72 57.11 3i1r n HIS 76 Cb 0.95 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.03 3i1r n HIS 76 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3i1r s SER 77 N -1.24 7.33 0.47 0.41 0.15 0.75 -4.79 113.70 116.78 3i1r s SER 77 Ca 0.24 1.68 0.30 0.00 0.70 0.00 0.00 55.95 58.88 3i1r s SER 77 Cb 0.13 -2.57 1.39 0.00 -1.71 0.00 0.00 66.02 63.26 3i1r s SER 77 CO 0.18 -0.30 1.73 -0.65 1.20 0.00 0.00 173.24 175.40 3i1r h PRO 78 N 6.84 0.15 0.00 5.44 0.11 -1.90 0.44 132.00 143.08 3i1r h PRO 78 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3i1r h PRO 78 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3i1r h PRO 78 CO 0.77 0.10 0.00 1.33 -0.21 0.00 0.00 178.00 179.98 3i1r n VAL 79 N -4.43 1.27 -0.09 3.15 0.24 -1.26 -3.22 118.33 113.99 3i1r n VAL 79 Ca 0.30 0.32 -0.20 0.00 -2.04 0.00 0.00 64.34 62.72 3i1r n VAL 79 Cb 1.24 -1.16 -0.12 0.00 -1.47 0.00 0.00 33.84 32.33 3i1r n VAL 79 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3i1r h VAL 80 N 0.00 1.16 0.00 3.34 2.07 -1.17 -0.86 116.25 120.79 3i1r h VAL 80 Ca 0.00 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.28 3i1r h VAL 80 Cb 0.15 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 3i1r h VAL 80 CO 0.00 0.42 0.00 -0.67 0.02 0.00 0.00 177.57 177.34 3i1r n ASP 81 N -4.44 0.00 -3.98 0.57 2.03 -1.20 -3.90 116.55 105.63 3i1r n ASP 81 Ca -0.26 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 54.87 3i1r n ASP 81 Cb 0.64 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.90 3i1r n ASP 81 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3i1r s SER 82 N 0.00 0.91 -0.18 1.67 0.15 -1.24 -5.06 113.70 109.95 3i1r s SER 82 Ca 0.00 -0.14 -0.05 0.00 0.70 0.00 0.00 55.95 56.46 3i1r s SER 82 Cb 0.00 -0.17 0.09 0.00 -1.71 0.00 0.00 66.02 64.23 3i1r s SER 82 CO 0.00 0.07 0.35 -0.51 1.20 0.00 0.00 173.24 174.35 3i1r s ILE 83 N 0.01 -0.55 0.36 6.45 -1.16 -1.26 -0.55 121.20 124.49 3i1r s ILE 83 Ca 0.00 0.16 0.04 0.00 -0.51 0.00 0.00 60.65 60.35 3i1r s ILE 83 Cb -0.05 -0.61 -0.06 0.00 0.61 0.00 0.00 42.46 42.34 3i1r s ILE 83 CO -0.00 0.05 0.05 -0.94 -2.81 0.00 0.00 174.94 171.29 3i1r s SER 84 N 2.53 2.85 -0.18 4.50 1.04 -1.14 -4.65 113.70 118.66 3i1r s SER 84 Ca 0.02 -1.42 -0.14 0.00 0.48 0.00 0.00 55.95 54.89 3i1r s SER 84 Cb -0.13 -0.08 -0.07 0.00 0.10 0.00 0.00 66.02 65.84 3i1r s SER 84 CO -0.12 -0.61 -0.20 0.55 0.98 0.00 0.00 173.24 173.84 3i1r n VAL 85 N -0.80 1.47 0.00 5.02 3.14 -1.26 -1.72 118.33 124.18 3i1r n VAL 85 Ca -0.04 0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 3i1r n VAL 85 Cb 0.67 -2.27 0.00 0.00 -1.06 0.00 0.00 33.84 31.18 3i1r n VAL 85 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3i1r n LYS 86 N -4.50 0.00 -4.15 1.45 4.76 -1.26 -0.82 118.16 113.64 3i1r n LYS 86 Ca -0.18 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.10 3i1r n LYS 86 Cb 0.48 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.53 3i1r n LYS 86 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3i1r s ARG 87 N 0.00 0.45 -0.47 1.97 3.52 -1.26 -5.04 118.95 118.11 3i1r s ARG 87 Ca 0.00 -0.26 -0.04 0.00 -0.13 0.00 0.00 55.73 55.30 3i1r s ARG 87 Cb 0.00 -0.41 0.12 0.00 -1.56 0.00 0.00 34.95 33.11 3i1r s ARG 87 CO 0.00 0.11 0.29 0.50 -0.81 0.00 0.00 175.30 175.39 3i1r s ARG 88 N -0.29 2.24 0.57 5.12 3.52 -1.26 -1.00 118.95 127.84 3i1r s ARG 88 Ca 0.01 -1.96 -0.13 0.00 -0.13 0.00 0.00 55.73 53.51 3i1r s ARG 88 Cb -0.03 -3.70 -0.06 0.00 -1.56 0.00 0.00 34.95 29.60 3i1r s ARG 88 CO -0.00 -1.12 1.00 0.20 -0.81 0.00 0.00 175.30 174.57 3i1r s GLY 89 N 1.79 1.84 -0.12 8.12 0.00 -1.24 0.08 107.32 117.78 3i1r s GLY 89 Ca 0.10 0.02 0.01 0.00 0.00 0.00 0.00 44.72 44.85 3i1r s GLY 89 CO -0.03 0.29 -0.16 0.00 0.00 0.00 0.00 173.10 173.19 3i1r s ALA 90 N -2.91 2.48 0.00 3.20 0.00 -0.88 -4.35 121.76 119.30 3i1r s ALA 90 Ca 0.57 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.59 3i1r s ALA 90 Cb -0.10 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 21.92 3i1r s ALA 90 CO 0.43 0.23 0.00 1.33 0.00 0.00 0.00 175.76 177.75 3i1r n VAL 91 N 3.59 0.00 -3.62 0.00 0.24 -1.26 -4.22 118.33 113.05 3i1r n VAL 91 Ca -0.18 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 61.88 3i1r n VAL 91 Cb 0.53 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 3i1r n VAL 91 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 3i1r n ARG 92 N -0.25 -1.42 0.00 7.34 1.85 -1.26 -4.95 116.66 117.97 3i1r n ARG 92 Ca 0.00 0.72 0.00 0.00 -1.00 0.00 0.00 57.85 57.57 3i1r n ARG 92 Cb 0.00 -1.95 0.00 0.00 -1.05 0.00 0.00 32.46 29.46 3i1r n ARG 92 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3i1r n LYS 93 N -2.18 0.00 0.14 2.89 3.00 -1.26 -5.09 118.16 115.67 3i1r n LYS 93 Ca -0.27 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 57.90 3i1r n LYS 93 Cb 0.62 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.57 3i1r n LYS 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i1r h ALA 94 N 0.00 -0.36 -3.04 3.14 0.00 -1.97 -3.41 119.26 113.61 3i1r h ALA 94 Ca 0.00 -0.17 -0.64 0.00 0.00 0.00 0.00 54.91 54.09 3i1r h ALA 94 Cb 0.00 0.14 -0.22 0.00 0.00 0.00 0.00 17.79 17.71 3i1r h ALA 94 CO 0.00 -0.55 -0.63 0.15 0.00 0.00 0.00 179.25 178.22 3i1r s LYS 95 N -4.89 3.68 -0.35 0.00 3.01 -1.26 -4.56 119.74 115.36 3i1r s LYS 95 Ca -0.15 -0.47 -0.01 0.00 -1.01 0.00 0.00 55.97 54.33 3i1r s LYS 95 Cb 0.03 -3.24 0.23 0.00 -1.01 0.00 0.00 37.83 33.84 3i1r s LYS 95 CO 0.58 -0.07 2.04 1.28 0.51 0.00 0.00 175.35 179.68 3i1r n LEU 96 N 4.55 6.59 -0.04 3.17 4.32 -0.43 -4.62 117.00 130.54 3i1r n LEU 96 Ca -0.16 -3.41 -0.02 0.00 -0.02 0.00 0.00 56.01 52.39 3i1r n LEU 96 Cb 0.52 -1.06 0.22 0.00 -1.62 0.00 0.00 43.42 41.48 3i1r n LEU 96 CO 0.32 1.26 0.87 1.88 -1.22 0.00 0.00 177.39 180.50 3i1r h TYR 97 N 1.56 0.66 -0.98 -1.77 0.99 -1.95 -2.36 116.97 113.11 3i1r h TYR 97 Ca 0.32 -0.09 0.29 0.00 2.00 0.00 0.00 58.73 61.25 3i1r h TYR 97 Cb 0.90 -0.18 -0.04 0.00 1.00 0.00 0.00 36.73 38.41 3i1r h TYR 97 CO 0.88 0.66 0.90 0.10 -0.00 0.00 0.00 178.16 180.69 3i1r h TYR 98 N 0.58 0.00 -0.30 4.88 -0.00 -1.97 0.31 116.97 120.47 3i1r h TYR 98 Ca 0.11 0.00 0.09 0.00 -0.00 0.00 0.00 58.73 58.93 3i1r h TYR 98 Cb 0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.16 3i1r h TYR 98 CO 0.02 0.00 0.23 -0.07 -0.00 0.00 0.00 178.16 178.34 3i1r h LEU 99 N 0.00 0.00 -2.79 0.10 4.07 -1.82 -2.56 115.31 112.31 3i1r h LEU 99 Ca 0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.43 3i1r h LEU 99 Cb 2.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.99 3i1r h LEU 99 CO -0.00 0.00 0.02 0.03 -1.08 0.00 0.00 178.44 177.40 3i1r h ARG 100 N 0.00 0.00 -1.58 1.13 3.08 -0.59 -2.12 114.38 114.29 3i1r h ARG 100 Ca 0.14 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.50 3i1r h ARG 100 Cb 0.60 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.33 3i1r h ARG 100 CO -0.00 0.00 0.41 0.39 -1.07 0.00 0.00 179.97 179.70 3i1r n GLU 101 N -2.98 2.99 0.00 0.04 1.02 -0.96 -4.80 120.64 115.95 3i1r n GLU 101 Ca -0.03 -3.79 0.00 0.00 -0.02 0.00 0.00 57.16 53.33 3i1r n GLU 101 Cb 0.08 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.23 3i1r n GLU 101 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3i1r n ARG 102 N -0.61 0.00 -2.97 3.49 1.74 -0.80 -5.06 116.66 112.45 3i1r n ARG 102 Ca 0.51 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.58 3i1r n ARG 102 Cb 0.48 -0.44 -0.01 0.00 -1.02 0.00 0.00 32.46 31.47 3i1r n ARG 102 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 3i1r n THR 103 N -1.63 -3.86 -1.28 0.55 5.66 -1.26 -4.47 114.28 107.99 3i1r n THR 103 Ca 0.00 0.67 0.15 0.00 -3.05 0.00 0.00 64.05 61.82 3i1r n THR 103 Cb 0.01 -3.48 -0.06 0.00 -1.55 0.00 0.00 70.33 65.25 3i1r n THR 103 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i1r n GLY 104 N 2.31 -2.16 5.40 1.09 0.00 -1.26 -4.58 105.19 106.00 3i1r n GLY 104 Ca -0.10 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.05 3i1r n GLY 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1r n LYS 105 N -3.89 0.00 0.06 1.61 4.76 -1.26 -0.71 118.16 118.73 3i1r n LYS 105 Ca -0.03 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.46 3i1r n LYS 105 Cb 0.65 0.00 0.25 0.00 -1.84 0.00 0.00 35.03 34.09 3i1r n LYS 105 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i1r n ALA 106 N 3.90 1.10 0.03 7.82 0.00 -1.26 -2.21 120.51 129.89 3i1r n ALA 106 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 53.44 53.46 3i1r n ALA 106 Cb 0.00 -1.15 -0.10 0.00 0.00 0.00 0.00 19.45 18.20 3i1r n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1r h ALA 107 N 2.05 0.62 -2.25 0.00 0.00 -1.14 -3.48 119.26 115.07 3i1r h ALA 107 Ca 0.00 -1.07 -0.53 0.00 0.00 0.00 0.00 54.91 53.31 3i1r h ALA 107 Cb 0.04 0.20 0.21 0.00 0.00 0.00 0.00 17.79 18.24 3i1r h ALA 107 CO 0.00 1.25 -0.20 0.54 0.00 0.00 0.00 179.25 180.84 3i1r n ARG 108 N -3.12 -0.30 -3.99 0.00 1.74 -0.94 -4.94 116.66 105.11 3i1r n ARG 108 Ca -0.09 -0.03 -0.12 0.00 -0.77 0.00 0.00 57.85 56.84 3i1r n ARG 108 Cb 0.94 -2.10 -0.13 0.00 -1.02 0.00 0.00 32.46 30.16 3i1r n ARG 108 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3i1r s ILE 109 N -2.45 0.21 1.21 0.55 -4.36 -1.26 -5.03 121.20 110.07 3i1r s ILE 109 Ca 0.62 -0.55 -0.17 0.00 -0.26 0.00 0.00 60.65 60.29 3i1r s ILE 109 Cb -0.23 -0.27 0.24 0.00 1.25 0.00 0.00 42.46 43.46 3i1r s ILE 109 CO 0.62 -0.22 0.57 0.29 0.24 0.00 0.00 174.94 176.44 3i1r n LYS 110 N 2.25 -2.75 -4.16 0.37 4.76 -1.26 -4.80 118.16 112.57 3i1r n LYS 110 Ca -0.18 -0.79 -0.26 0.00 -2.87 0.00 0.00 58.31 54.20 3i1r n LYS 110 Cb 0.57 -1.87 -0.07 0.00 -1.84 0.00 0.00 35.03 31.82 3i1r n LYS 110 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3i1r s GLU 111 N -4.09 2.59 0.18 1.97 8.01 -1.26 -2.08 118.70 124.03 3i1r s GLU 111 Ca 0.60 -1.04 0.24 0.00 0.01 0.00 0.00 54.97 54.79 3i1r s GLU 111 Cb -0.16 -2.46 0.44 0.00 -4.31 0.00 0.00 34.13 27.64 3i1r s GLU 111 CO 0.60 0.46 1.45 0.00 0.01 0.00 0.00 175.26 177.77 3i1r h ARG 112 N 2.51 0.00 -6.65 1.61 3.08 -0.58 -3.40 114.38 110.95 3i1r h ARG 112 Ca -0.47 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.12 3i1r h ARG 112 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 3i1r h ARG 112 CO 0.60 0.00 -1.01 1.47 -1.07 0.00 0.00 179.97 179.96 3i1r n LEU 113 N -2.30 -1.49 0.00 3.04 -0.00 -1.26 -5.02 117.00 109.97 3i1r n LEU 113 Ca 0.04 -0.93 0.00 0.00 -0.00 0.00 0.00 56.01 55.12 3i1r n LEU 113 Cb 0.46 -1.45 0.00 0.00 -0.00 0.00 0.00 43.42 42.43 3i1r n LEU 113 CO 0.35 0.41 0.00 -0.46 -0.00 0.00 0.00 177.39 177.69