#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ji3 s PRO 2 N 0.00 3.79 0.06 0.03 0.02 -1.22 -4.90 135.00 132.78 2ji3 s PRO 2 Ca 0.00 2.34 0.06 0.00 0.02 0.00 0.00 61.00 63.42 2ji3 s PRO 2 Cb 0.00 -2.70 -0.03 0.00 0.02 0.00 0.00 34.50 31.79 2ji3 s PRO 2 CO 0.00 -0.70 -0.16 -1.21 -0.33 0.00 0.00 177.00 174.60 2ji3 s GLU 3 N -2.37 0.96 0.24 5.54 2.02 -1.26 -2.53 118.70 121.30 2ji3 s GLU 3 Ca 0.59 -0.91 -0.29 0.00 0.02 0.00 0.00 54.97 54.38 2ji3 s GLU 3 Cb -0.42 -1.02 -0.15 0.00 0.10 0.00 0.00 34.13 32.64 2ji3 s GLU 3 CO 0.54 0.24 1.00 -2.13 0.02 0.00 0.00 175.26 174.93 2ji3 n ARG 4 N 1.53 1.14 0.00 1.61 0.63 -1.26 -1.94 116.66 118.38 2ji3 n ARG 4 Ca -0.19 0.40 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 2ji3 n ARG 4 Cb 0.54 -1.77 0.00 0.00 0.45 0.00 0.00 32.46 31.68 2ji3 n ARG 4 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2ji3 n LEU 5 N 1.55 0.00 -4.76 6.15 4.77 0.16 -4.96 117.00 119.91 2ji3 n LEU 5 Ca 0.12 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.75 2ji3 n LEU 5 Cb 0.29 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.40 2ji3 n LEU 5 CO 0.60 0.00 0.80 -1.10 -1.33 0.00 0.00 177.39 176.36 2ji3 s GLN 6 N -0.30 3.13 -0.13 3.23 -0.21 -0.82 -4.68 119.66 119.89 2ji3 s GLN 6 Ca 0.00 1.68 0.01 0.00 0.02 0.00 0.00 55.36 57.07 2ji3 s GLN 6 Cb 0.00 -1.97 -0.00 0.00 1.00 0.00 0.00 33.01 32.04 2ji3 s GLN 6 CO 0.00 -1.04 -0.17 0.08 -2.12 0.00 0.00 175.29 172.03 2ji3 s VAL 7 N -1.75 2.58 0.04 1.09 1.01 -1.26 -0.69 120.40 121.42 2ji3 s VAL 7 Ca 0.74 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.99 2ji3 s VAL 7 Cb -0.26 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 2ji3 s VAL 7 CO 0.31 0.53 -0.26 -0.31 0.00 0.00 0.00 175.10 175.37 2ji3 s TYR 8 N 0.56 2.25 0.00 5.22 1.51 -0.09 -0.47 117.35 126.32 2ji3 s TYR 8 Ca -0.11 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.59 2ji3 s TYR 8 Cb -0.16 -1.35 -0.01 0.00 -0.11 0.00 0.00 41.96 40.32 2ji3 s TYR 8 CO 0.04 0.11 -0.14 0.21 -1.11 0.00 0.00 175.55 174.66 2ji3 s LYS 9 N -1.20 1.07 -0.33 -0.62 2.20 -0.09 -0.94 119.74 119.84 2ji3 s LYS 9 Ca 0.11 -0.56 -0.18 0.00 -0.36 0.00 0.00 55.97 54.98 2ji3 s LYS 9 Cb -0.10 -1.05 -0.01 0.00 -1.51 0.00 0.00 37.83 35.16 2ji3 s LYS 9 CO 0.02 0.28 0.51 0.00 -0.36 0.00 0.00 175.35 175.80 2ji3 n GLU 11 N 5.69 0.05 -0.02 0.00 1.02 -1.26 -1.07 120.64 125.06 2ji3 n GLU 11 Ca -0.05 0.14 -0.01 0.00 -0.02 0.00 0.00 57.16 57.22 2ji3 n GLU 11 Cb 0.49 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.41 2ji3 n GLU 11 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2ji3 h VAL 12 N 0.00 0.00 0.00 2.62 2.07 -1.92 -3.42 116.25 115.61 2ji3 h VAL 12 Ca 0.00 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2ji3 h VAL 12 Cb 0.32 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 2ji3 h VAL 12 CO 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 177.57 176.96 2ji3 n GLY 14 N 1.49 0.75 3.77 0.00 0.00 -0.23 -5.03 105.19 105.93 2ji3 n GLY 14 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2ji3 n GLY 14 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ji3 s ASN 15 N -2.41 6.41 -0.05 1.61 0.01 -1.25 -4.75 114.94 114.51 2ji3 s ASN 15 Ca 0.00 2.98 0.01 0.00 -0.71 0.00 0.00 52.86 55.14 2ji3 s ASN 15 Cb 0.00 -2.66 0.02 0.00 0.41 0.00 0.00 41.25 39.02 2ji3 s ASN 15 CO 0.00 -0.83 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.08 2ji3 s ILE 16 N -0.95 0.57 0.12 0.60 1.01 -1.26 -0.75 121.20 120.55 2ji3 s ILE 16 Ca 0.54 -0.12 0.05 0.00 0.00 0.00 0.00 60.65 61.11 2ji3 s ILE 16 Cb -0.46 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 2ji3 s ILE 16 CO 0.59 0.24 -0.11 0.68 0.00 0.00 0.00 174.94 176.34 2ji3 s VAL 17 N 1.05 1.14 0.00 2.92 -7.23 -0.11 -4.98 120.40 113.18 2ji3 s VAL 17 Ca -0.09 -1.83 0.08 0.00 -1.81 0.00 0.00 61.98 58.33 2ji3 s VAL 17 Cb -0.14 -1.60 -0.02 0.00 0.56 0.00 0.00 36.38 35.18 2ji3 s VAL 17 CO -0.01 -0.59 -0.23 -0.70 -0.31 0.00 0.00 175.10 173.26 2ji3 s GLU 18 N -3.13 2.08 -0.05 4.82 2.12 -1.26 -0.91 118.70 122.36 2ji3 s GLU 18 Ca 0.11 -0.95 -0.30 0.00 0.36 0.00 0.00 54.97 54.19 2ji3 s GLU 18 Cb -0.01 -2.10 -0.02 0.00 0.26 0.00 0.00 34.13 32.26 2ji3 s GLU 18 CO 0.01 0.55 0.99 0.08 -0.54 0.00 0.00 175.26 176.35 2ji3 s VAL 19 N -0.73 4.83 -0.25 3.70 1.01 0.14 -4.92 120.40 124.19 2ji3 s VAL 19 Ca 0.11 2.04 0.03 0.00 0.00 0.00 0.00 61.98 64.17 2ji3 s VAL 19 Cb -0.10 -4.31 -0.17 0.00 0.00 0.00 0.00 36.38 31.79 2ji3 s VAL 19 CO 0.01 0.09 -0.20 0.18 0.00 0.00 0.00 175.10 175.18 2ji3 n LEU 20 N 4.44 2.72 -3.83 3.92 4.77 -1.26 -0.66 117.00 127.09 2ji3 n LEU 20 Ca 0.07 -0.12 -0.21 0.00 -0.03 0.00 0.00 56.01 55.71 2ji3 n LEU 20 Cb 0.50 -0.77 -0.17 0.00 -2.33 0.00 0.00 43.42 40.65 2ji3 n LEU 20 CO 0.52 0.89 -0.39 0.21 -1.33 0.00 0.00 177.39 177.29 2ji3 s ASN 21 N -6.37 1.24 1.04 -1.43 2.47 -1.26 -4.75 114.94 105.89 2ji3 s ASN 21 Ca -0.32 -0.10 -0.17 0.00 0.42 0.00 0.00 52.86 52.69 2ji3 s ASN 21 Cb 0.09 -0.43 0.23 0.00 -1.45 0.00 0.00 41.25 39.68 2ji3 s ASN 21 CO 0.61 -0.13 1.24 0.61 -3.72 0.00 0.00 177.10 175.71 2ji3 n GLY 22 N 4.62 -1.72 0.00 1.21 0.00 -1.26 -4.85 105.19 103.20 2ji3 n GLY 22 Ca -0.16 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.19 2ji3 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ji3 n GLY 23 N -3.57 -1.37 0.11 -0.02 0.00 -1.05 -5.01 105.19 94.29 2ji3 n GLY 23 Ca 0.16 -0.99 -0.20 0.00 0.00 0.00 0.00 46.02 44.99 2ji3 n GLY 23 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2ji3 h ILE 24 N 0.00 1.36 -4.06 -0.61 2.04 -1.95 -3.24 117.51 111.05 2ji3 h ILE 24 Ca 0.00 -2.47 -0.55 0.00 1.00 0.00 0.00 64.86 62.84 2ji3 h ILE 24 Cb 0.00 3.03 0.14 0.00 -0.74 0.00 0.00 36.82 39.25 2ji3 h ILE 24 CO 0.00 0.69 0.61 -0.83 0.00 0.00 0.00 178.15 178.62 2ji3 s GLY 25 N -4.60 2.89 0.11 5.37 0.00 -1.26 -4.42 107.32 105.41 2ji3 s GLY 25 Ca -0.16 1.34 -0.18 0.00 0.00 0.00 0.00 44.72 45.72 2ji3 s GLY 25 CO 0.79 1.86 0.59 -0.54 0.00 0.00 0.00 173.10 175.80 2ji3 s GLU 26 N -2.96 4.17 0.06 2.90 0.41 -1.26 -4.46 118.70 117.55 2ji3 s GLU 26 Ca 0.73 0.71 -0.30 0.00 -0.41 0.00 0.00 54.97 55.69 2ji3 s GLU 26 Cb -0.41 -3.14 -0.05 0.00 -1.78 0.00 0.00 34.13 28.75 2ji3 s GLU 26 CO 0.48 0.58 1.14 -0.51 -0.49 0.00 0.00 175.26 176.46 2ji3 s LEU 27 N -1.39 4.38 0.09 1.80 1.43 -1.26 -5.01 118.68 118.73 2ji3 s LEU 27 Ca 0.32 1.95 0.05 0.00 -1.03 0.00 0.00 54.13 55.42 2ji3 s LEU 27 Cb -0.18 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 2ji3 s LEU 27 CO 0.19 -0.40 -0.13 -0.69 0.23 0.00 0.00 176.35 175.55 2ji3 s VAL 28 N 0.92 1.13 -0.21 -1.59 1.01 -1.26 -1.40 120.40 118.99 2ji3 s VAL 28 Ca 0.56 -1.48 -0.26 0.00 0.00 0.00 0.00 61.98 60.80 2ji3 s VAL 28 Cb -0.28 -1.25 0.07 0.00 0.00 0.00 0.00 36.38 34.92 2ji3 s VAL 28 CO 0.29 -0.35 0.70 0.00 0.00 0.00 0.00 175.10 175.75 2ji3 n ASN 31 N -2.78 -4.85 -3.96 0.00 5.03 -1.26 -4.99 115.26 102.44 2ji3 n ASN 31 Ca 0.01 0.22 -0.09 0.00 0.87 0.00 0.00 54.58 55.59 2ji3 n ASN 31 Cb 0.53 -3.13 -0.09 0.00 -1.02 0.00 0.00 39.78 36.07 2ji3 n ASN 31 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ji3 s GLN 32 N -2.51 0.59 0.28 3.52 -2.07 -0.60 -5.13 119.66 113.74 2ji3 s GLN 32 Ca 0.00 -0.87 -0.30 0.00 -1.82 0.00 0.00 55.36 52.37 2ji3 s GLN 32 Cb 0.00 0.23 -0.12 0.00 -1.09 0.00 0.00 33.01 32.03 2ji3 s GLN 32 CO 0.00 -0.14 1.63 -0.51 -1.32 0.00 0.00 175.29 174.95 2ji3 s ASP 33 N -2.32 6.35 0.36 12.60 1.11 -1.26 -1.49 116.67 132.02 2ji3 s ASP 33 Ca -0.02 2.96 -0.27 0.00 0.18 0.00 0.00 52.55 55.41 2ji3 s ASP 33 Cb 0.01 -2.63 -0.09 0.00 1.07 0.00 0.00 42.92 41.28 2ji3 s ASP 33 CO -0.06 -0.94 1.15 -0.04 1.18 0.00 0.00 175.17 176.45 2ji3 s MET 34 N -0.26 4.27 -0.11 8.23 -1.94 -0.50 -4.85 119.30 124.14 2ji3 s MET 34 Ca 0.65 1.82 -0.25 0.00 -1.71 0.00 0.00 55.69 56.21 2ji3 s MET 34 Cb -0.49 -2.84 -0.03 0.00 2.01 0.00 0.00 34.83 33.49 2ji3 s MET 34 CO 0.46 -0.13 0.77 0.21 -0.01 0.00 0.00 175.02 176.32 2ji3 s LYS 35 N -2.03 4.37 -0.08 2.03 2.20 0.88 -4.79 119.74 122.32 2ji3 s LYS 35 Ca 0.53 0.96 -0.30 0.00 -0.36 0.00 0.00 55.97 56.80 2ji3 s LYS 35 Cb -0.31 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.47 2ji3 s LYS 35 CO 0.39 -0.13 1.39 -1.17 -0.36 0.00 0.00 175.35 175.48 2ji3 s LEU 36 N 1.44 4.26 -1.05 5.43 2.96 -1.26 -0.91 118.68 129.55 2ji3 s LEU 36 Ca 0.38 1.95 -0.16 0.00 -0.22 0.00 0.00 54.13 56.09 2ji3 s LEU 36 Cb -0.17 -3.54 0.16 0.00 0.50 0.00 0.00 46.19 43.13 2ji3 s LEU 36 CO 0.16 -0.77 1.23 -0.04 -1.32 0.00 0.00 176.35 175.61 2ji3 s MET 37 N 3.21 3.84 0.29 1.98 -1.94 0.38 -4.97 119.30 122.08 2ji3 s MET 37 Ca 0.62 -2.25 -0.29 0.00 -1.71 0.00 0.00 55.69 52.06 2ji3 s MET 37 Cb -0.27 -4.92 -0.10 0.00 2.01 0.00 0.00 34.83 31.55 2ji3 s MET 37 CO 0.22 -1.70 1.28 -1.12 -0.01 0.00 0.00 175.02 173.69 2ji3 s SER 38 N 3.05 6.88 0.29 3.03 0.01 -1.26 -4.68 113.70 121.01 2ji3 s SER 38 Ca 0.36 2.55 -0.29 0.00 1.31 0.00 0.00 55.95 59.87 2ji3 s SER 38 Cb -0.05 -2.63 -0.10 0.00 0.21 0.00 0.00 66.02 63.45 2ji3 s SER 38 CO -0.05 -0.47 1.16 -1.61 0.41 0.00 0.00 173.24 172.68 2ji3 s GLU 39 N -1.25 4.55 -1.35 12.44 8.01 -1.26 -3.95 118.70 135.90 2ji3 s GLU 39 Ca 0.51 1.93 -0.05 0.00 0.01 0.00 0.00 54.97 57.36 2ji3 s GLU 39 Cb -0.38 -3.16 0.02 0.00 -4.31 0.00 0.00 34.13 26.31 2ji3 s GLU 39 CO 0.47 0.08 0.90 0.09 0.01 0.00 0.00 175.26 176.81 2ji3 n ASN 40 N 1.15 -2.97 -0.00 -0.19 3.02 -0.37 -4.91 115.26 110.99 2ji3 n ASN 40 Ca -0.01 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 2ji3 n ASN 40 Cb 0.44 -4.38 -0.00 0.00 -0.61 0.00 0.00 39.78 35.23 2ji3 n ASN 40 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2ji3 n THR 41 N -4.45 0.00 -2.69 3.41 -2.24 -1.25 -5.04 114.28 102.02 2ji3 n THR 41 Ca -0.17 -0.15 -0.39 0.00 -2.27 0.00 0.00 64.05 61.07 2ji3 n THR 41 Cb 0.62 0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 69.43 2ji3 n THR 41 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2ji3 s VAL 42 N -1.76 3.96 -1.09 2.28 1.01 -1.26 -4.97 120.40 118.58 2ji3 s VAL 42 Ca -0.00 1.86 -0.22 0.00 0.00 0.00 0.00 61.98 63.62 2ji3 s VAL 42 Cb 0.00 -4.13 0.05 0.00 0.00 0.00 0.00 36.38 32.30 2ji3 s VAL 42 CO 0.02 0.35 1.56 -0.62 0.00 0.00 0.00 175.10 176.42 2ji3 s ASP 43 N -1.26 6.47 0.23 3.32 2.15 -1.26 -4.91 116.67 121.41 2ji3 s ASP 43 Ca 0.45 -1.66 -0.08 0.00 0.43 0.00 0.00 52.55 51.69 2ji3 s ASP 43 Cb -0.25 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 39.78 2ji3 s ASP 43 CO 0.31 -1.53 0.33 0.00 -0.17 0.00 0.00 175.17 174.11 2ji3 s ALA 44 N 5.23 0.34 -0.36 3.66 0.00 -1.26 -5.10 121.76 124.27 2ji3 s ALA 44 Ca 0.50 -1.22 -0.27 0.00 0.00 0.00 0.00 51.96 50.97 2ji3 s ALA 44 Cb 0.01 1.20 -0.05 0.00 0.00 0.00 0.00 23.12 24.27 2ji3 s ALA 44 CO -0.04 -0.74 2.21 0.00 0.00 0.00 0.00 175.76 177.18 2ji3 s ALA 45 N -4.08 2.30 0.41 0.00 0.00 -1.26 -4.85 121.76 114.29 2ji3 s ALA 45 Ca 0.29 0.34 0.11 0.00 0.00 0.00 0.00 51.96 52.70 2ji3 s ALA 45 Cb 0.03 -4.18 0.94 0.00 0.00 0.00 0.00 23.12 19.90 2ji3 s ALA 45 CO 0.10 -3.46 1.98 0.87 0.00 0.00 0.00 175.76 175.25 2ji3 h LYS 46 N 16.44 0.49 0.00 0.00 6.56 -1.98 -0.99 116.57 137.09 2ji3 h LYS 46 Ca -0.33 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.23 2ji3 h LYS 46 Cb 1.24 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.78 2ji3 h LYS 46 CO 1.06 0.32 0.00 1.05 -2.06 0.00 0.00 179.45 179.82 2ji3 h GLU 47 N 0.51 0.00 0.00 3.15 9.09 -1.92 -1.17 114.58 124.24 2ji3 h GLU 47 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.68 2ji3 h GLU 47 Cb 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 2ji3 h GLU 47 CO -0.08 0.00 -1.05 1.63 0.05 0.00 0.00 179.01 179.56 2ji3 n LYS 48 N -2.50 1.19 -0.01 1.06 5.02 -0.41 -1.15 118.16 121.37 2ji3 n LYS 48 Ca 0.01 -0.04 -0.01 0.00 -2.02 0.00 0.00 58.31 56.24 2ji3 n LYS 48 Cb 0.21 -1.33 -0.01 0.00 -0.02 0.00 0.00 35.03 33.88 2ji3 n LYS 48 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2ji3 n HIS 49 N -1.58 0.00 -2.06 2.13 8.25 -1.01 -2.99 115.22 117.96 2ji3 n HIS 49 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 2ji3 n HIS 49 Cb 0.31 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 2ji3 n HIS 49 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2ji3 s VAL 50 N -2.05 3.30 0.42 1.59 1.01 -0.47 -4.78 120.40 119.41 2ji3 s VAL 50 Ca -0.02 0.75 -0.25 0.00 0.00 0.00 0.00 61.98 62.45 2ji3 s VAL 50 Cb 0.01 -3.48 -0.08 0.00 0.00 0.00 0.00 36.38 32.82 2ji3 s VAL 50 CO 0.07 0.01 1.30 -2.84 0.00 0.00 0.00 175.10 173.63 2ji3 s PRO 51 N 2.35 3.90 -0.19 2.72 0.02 -1.26 -4.23 135.00 138.30 2ji3 s PRO 51 Ca 0.69 2.14 -0.04 0.00 0.02 0.00 0.00 61.00 63.80 2ji3 s PRO 51 Cb -0.36 -2.70 -0.02 0.00 0.02 0.00 0.00 34.50 31.44 2ji3 s PRO 51 CO 0.30 -0.54 -0.02 0.08 -0.33 0.00 0.00 177.00 176.48 2ji3 s VAL 52 N -1.29 3.76 -0.19 3.83 1.01 0.47 -4.61 120.40 123.38 2ji3 s VAL 52 Ca 0.58 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 62.07 2ji3 s VAL 52 Cb -0.38 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 2ji3 s VAL 52 CO 0.48 0.44 0.17 -0.63 0.00 0.00 0.00 175.10 175.56 2ji3 s ILE 53 N 0.98 5.39 -0.16 2.22 1.01 -1.26 -1.57 121.20 127.82 2ji3 s ILE 53 Ca 0.01 0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.94 2ji3 s ILE 53 Cb -0.14 -3.51 0.03 0.00 0.01 0.00 0.00 42.46 38.85 2ji3 s ILE 53 CO 0.01 0.43 -0.12 -0.70 0.00 0.00 0.00 174.94 174.56 2ji3 s GLU 54 N 0.38 2.14 0.18 2.79 2.12 0.34 -4.99 118.70 121.67 2ji3 s GLU 54 Ca 0.10 -0.59 -0.30 0.00 0.36 0.00 0.00 54.97 54.54 2ji3 s GLU 54 Cb -0.11 -2.12 -0.08 0.00 0.26 0.00 0.00 34.13 32.08 2ji3 s GLU 54 CO -0.01 -0.29 1.23 0.21 -0.54 0.00 0.00 175.26 175.86 2ji3 s LYS 55 N 1.50 4.46 0.41 4.30 2.47 -1.26 0.03 119.74 131.65 2ji3 s LYS 55 Ca 0.04 1.91 0.04 0.00 -1.56 0.00 0.00 55.97 56.40 2ji3 s LYS 55 Cb -0.14 -3.24 -0.02 0.00 -1.46 0.00 0.00 37.83 32.97 2ji3 s LYS 55 CO -0.10 -0.14 0.14 0.96 0.16 0.00 0.00 175.35 176.37 2ji3 s ILE 56 N 0.07 0.55 -0.33 5.43 -4.36 -0.56 -4.88 121.20 117.13 2ji3 s ILE 56 Ca 0.54 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.65 2ji3 s ILE 56 Cb -0.33 -2.34 -0.03 0.00 1.25 0.00 0.00 42.46 41.01 2ji3 s ILE 56 CO 0.36 0.00 1.91 -0.62 0.24 0.00 0.00 174.94 176.84 2ji3 s ASP 57 N -3.60 5.70 0.00 4.36 -1.08 -1.26 -2.48 116.67 118.31 2ji3 s ASP 57 Ca 0.24 1.36 0.00 0.00 -0.52 0.00 0.00 52.55 53.63 2ji3 s ASP 57 Cb 0.02 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 2ji3 s ASP 57 CO 0.15 -1.85 0.00 0.61 0.52 0.00 0.00 175.17 174.60 2ji3 n GLY 58 N 5.53 0.47 0.00 2.66 0.00 -1.26 -4.93 105.19 107.66 2ji3 n GLY 58 Ca 0.25 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2ji3 n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ji3 n GLY 59 N -2.91 -0.72 3.08 -0.02 0.00 -1.04 -1.15 105.19 102.44 2ji3 n GLY 59 Ca 0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 2ji3 n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ji3 s TYR 60 N -4.00 0.12 -0.12 1.61 2.02 0.06 -1.50 117.35 115.55 2ji3 s TYR 60 Ca 0.00 -0.29 0.02 0.00 -0.37 0.00 0.00 57.07 56.43 2ji3 s TYR 60 Cb 0.00 -0.10 -0.01 0.00 -0.40 0.00 0.00 41.96 41.46 2ji3 s TYR 60 CO 0.00 -0.28 -0.18 0.21 -1.57 0.00 0.00 175.55 173.73 2ji3 s LYS 61 N -1.65 3.23 -0.10 -0.62 2.20 0.10 -0.64 119.74 122.26 2ji3 s LYS 61 Ca -0.13 -0.77 0.04 0.00 -0.36 0.00 0.00 55.97 54.75 2ji3 s LYS 61 Cb -0.07 -2.48 -0.00 0.00 -1.51 0.00 0.00 37.83 33.77 2ji3 s LYS 61 CO -0.00 0.20 -0.24 0.08 -0.36 0.00 0.00 175.35 175.03 2ji3 s VAL 62 N 0.34 2.09 0.08 4.02 1.01 -0.12 -0.50 120.40 127.32 2ji3 s VAL 62 Ca -0.14 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 60.87 2ji3 s VAL 62 Cb -0.17 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 2ji3 s VAL 62 CO 0.07 0.56 -0.14 -1.59 0.00 0.00 0.00 175.10 174.00 2ji3 s LYS 63 N 0.30 0.85 -0.32 2.72 -2.85 -0.61 -1.50 119.74 118.34 2ji3 s LYS 63 Ca -0.18 -1.02 0.04 0.00 -1.00 0.00 0.00 55.97 53.81 2ji3 s LYS 63 Cb -0.18 -0.80 0.09 0.00 -2.06 0.00 0.00 37.83 34.88 2ji3 s LYS 63 CO 0.09 0.17 0.01 0.08 0.10 0.00 0.00 175.35 175.79 2ji3 s VAL 64 N -1.53 2.19 0.00 1.79 1.01 -0.50 -0.39 120.40 122.97 2ji3 s VAL 64 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 61.98 59.88 2ji3 s VAL 64 Cb -0.08 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.77 2ji3 s VAL 64 CO 0.02 -0.44 0.00 0.61 0.00 0.00 0.00 175.10 175.29 2ji3 n GLY 65 N 4.33 4.98 0.28 4.51 0.00 -1.16 -0.84 105.19 117.29 2ji3 n GLY 65 Ca -0.01 -1.42 0.07 0.00 0.00 0.00 0.00 46.02 44.66 2ji3 n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ji3 h ALA 66 N 1.00 1.91 -3.17 4.61 0.00 -1.45 -3.35 119.26 118.82 2ji3 h ALA 66 Ca 0.00 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.26 2ji3 h ALA 66 Cb 0.00 -0.06 -0.22 0.00 0.00 0.00 0.00 17.79 17.51 2ji3 h ALA 66 CO 0.00 0.07 -0.66 0.08 0.00 0.00 0.00 179.25 178.74 2ji3 s VAL 67 N -5.23 3.99 -0.17 0.00 1.01 -0.30 -5.05 120.40 114.66 2ji3 s VAL 67 Ca -0.06 -0.30 -0.39 0.00 0.00 0.00 0.00 61.98 61.23 2ji3 s VAL 67 Cb 0.17 -2.79 -0.15 0.00 0.00 0.00 0.00 36.38 33.60 2ji3 s VAL 67 CO 0.70 0.44 1.67 0.00 0.00 0.00 0.00 175.10 177.91 2ji3 n ALA 68 N 4.06 -0.20 -1.80 5.51 0.00 -1.26 -4.36 120.51 122.46 2ji3 n ALA 68 Ca -0.17 0.40 -0.34 0.00 0.00 0.00 0.00 53.44 53.33 2ji3 n ALA 68 Cb 0.52 -2.23 -0.05 0.00 0.00 0.00 0.00 19.45 17.70 2ji3 n ALA 68 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2ji3 s HIS 69 N 2.90 3.13 0.64 0.00 5.04 -0.02 -4.78 115.29 122.20 2ji3 s HIS 69 Ca 0.94 1.60 -0.18 0.00 -1.54 0.00 0.00 55.06 55.88 2ji3 s HIS 69 Cb -1.00 -3.00 -0.01 0.00 0.04 0.00 0.00 32.58 28.61 2ji3 s HIS 69 CO 0.60 -0.57 1.27 -2.14 -2.34 0.00 0.00 174.74 171.56 2ji3 s PRO 70 N -3.14 2.62 -0.46 2.88 0.02 -1.26 -4.72 135.00 130.94 2ji3 s PRO 70 Ca 0.65 2.00 0.09 0.00 0.02 0.00 0.00 61.00 63.76 2ji3 s PRO 70 Cb -0.14 -1.86 0.34 0.00 0.02 0.00 0.00 34.50 32.86 2ji3 s PRO 70 CO 0.18 -1.53 0.82 -1.33 -0.33 0.00 0.00 177.00 174.82 2ji3 n MET 71 N -1.88 1.94 -2.80 5.54 2.81 -1.24 -4.00 117.12 117.49 2ji3 n MET 71 Ca 0.15 -4.02 -0.20 0.00 -1.81 0.00 0.00 57.70 51.83 2ji3 n MET 71 Cb 0.49 -1.93 0.03 0.00 -0.71 0.00 0.00 33.22 31.09 2ji3 n MET 71 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2ji3 s GLU 72 N -2.87 2.67 0.27 0.03 0.41 0.17 -0.92 118.70 118.46 2ji3 s GLU 72 Ca 0.44 -0.95 -0.02 0.00 -0.41 0.00 0.00 54.97 54.03 2ji3 s GLU 72 Cb 0.32 -2.60 0.38 0.00 -1.78 0.00 0.00 34.13 30.45 2ji3 s GLU 72 CO -0.11 -0.52 1.82 0.93 -0.49 0.00 0.00 175.26 176.89 2ji3 h GLU 73 N 0.30 0.87 -0.02 1.61 4.39 -1.98 -2.84 114.58 116.91 2ji3 h GLU 73 Ca -0.41 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.11 2ji3 h GLU 73 Cb 1.29 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2ji3 h GLU 73 CO 0.50 0.77 -0.15 1.63 -1.16 0.00 0.00 179.01 180.59 2ji3 n LYS 74 N -4.28 1.68 -3.22 2.33 5.02 -1.26 -4.78 118.16 113.65 2ji3 n LYS 74 Ca 0.04 -1.26 -0.02 0.00 -2.02 0.00 0.00 58.31 55.05 2ji3 n LYS 74 Cb 0.22 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 2ji3 n LYS 74 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2ji3 s HIS 75 N -2.19 -1.46 0.21 2.13 2.46 -1.07 -4.83 115.29 110.55 2ji3 s HIS 75 Ca 0.28 0.67 -0.14 0.00 0.47 0.00 0.00 55.06 56.34 2ji3 s HIS 75 Cb 0.20 0.10 0.01 0.00 -0.13 0.00 0.00 32.58 32.75 2ji3 s HIS 75 CO 0.41 -1.05 0.47 1.52 -2.47 0.00 0.00 174.74 173.61 2ji3 s TYR 76 N 2.62 0.18 -0.34 3.88 1.13 -1.24 -0.66 117.35 122.92 2ji3 s TYR 76 Ca 0.10 -0.54 -0.25 0.00 -1.41 0.00 0.00 57.07 54.98 2ji3 s TYR 76 Cb -0.11 0.24 0.01 0.00 -1.10 0.00 0.00 41.96 41.00 2ji3 s TYR 76 CO -0.26 -0.93 0.87 0.42 -2.51 0.00 0.00 175.55 173.14 2ji3 s ILE 77 N -3.95 4.68 0.26 -3.49 -1.09 -1.26 -2.18 121.20 114.16 2ji3 s ILE 77 Ca 0.16 1.17 0.09 0.00 -2.23 0.00 0.00 60.65 59.84 2ji3 s ILE 77 Cb -0.00 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 2ji3 s ILE 77 CO 0.03 -0.42 1.59 1.56 -1.23 0.00 0.00 174.94 176.47 2ji3 h GLN 78 N 8.33 0.05 -2.18 2.79 4.20 -1.18 -3.40 115.11 123.72 2ji3 h GLN 78 Ca -0.24 -0.04 0.13 0.00 0.06 0.00 0.00 58.65 58.57 2ji3 h GLN 78 Cb 1.09 0.01 -0.15 0.00 0.30 0.00 0.00 27.48 28.72 2ji3 h GLN 78 CO 0.94 0.67 0.54 1.67 -0.67 0.00 0.00 178.83 181.97 2ji3 s TRP 79 N -3.60 -0.30 -0.06 2.96 -2.14 -1.25 -1.09 118.94 113.46 2ji3 s TRP 79 Ca -0.02 0.16 0.04 0.00 2.66 0.00 0.00 56.10 58.94 2ji3 s TRP 79 Cb 0.12 0.54 0.00 0.00 -3.10 0.00 0.00 33.47 31.04 2ji3 s TRP 79 CO 0.77 -0.52 -0.17 0.42 -2.66 0.00 0.00 176.95 174.80 2ji3 s ILE 80 N -3.04 1.43 -0.02 0.66 1.01 -0.27 -2.42 121.20 118.55 2ji3 s ILE 80 Ca 0.06 -0.69 0.06 0.00 0.00 0.00 0.00 60.65 60.08 2ji3 s ILE 80 Cb -0.01 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.20 2ji3 s ILE 80 CO -0.08 0.41 -0.20 -0.70 0.00 0.00 0.00 174.94 174.38 2ji3 s GLU 81 N 0.23 1.66 -0.15 2.79 2.12 0.14 -0.66 118.70 124.84 2ji3 s GLU 81 Ca -0.08 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 54.55 2ji3 s GLU 81 Cb -0.13 -1.58 -0.00 0.00 0.26 0.00 0.00 34.13 32.68 2ji3 s GLU 81 CO 0.03 0.41 -0.16 -1.17 -0.54 0.00 0.00 175.26 173.84 2ji3 s LEU 82 N -0.41 2.49 -0.14 2.70 2.96 0.99 0.46 118.68 127.73 2ji3 s LEU 82 Ca 0.06 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 2ji3 s LEU 82 Cb -0.08 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 2ji3 s LEU 82 CO -0.00 0.11 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.25 2ji3 s LEU 83 N 0.69 2.73 -0.24 -0.68 1.43 0.18 -1.12 118.68 121.66 2ji3 s LEU 83 Ca -0.07 -0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 52.63 2ji3 s LEU 83 Cb -0.16 -1.63 0.13 0.00 0.03 0.00 0.00 46.19 44.56 2ji3 s LEU 83 CO 0.02 0.13 0.46 0.00 0.23 0.00 0.00 176.35 177.20 2ji3 s ALA 84 N 0.54 -1.43 0.00 4.21 0.00 -0.81 -0.60 121.76 123.67 2ji3 s ALA 84 Ca -0.08 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.35 2ji3 s ALA 84 Cb -0.16 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.33 2ji3 s ALA 84 CO 0.04 -1.04 0.00 -0.25 0.00 0.00 0.00 175.76 174.50 2ji3 n ASP 85 N 5.40 0.00 -1.72 0.00 8.00 -1.26 -0.94 116.55 126.02 2ji3 n ASP 85 Ca -0.06 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.42 2ji3 n ASP 85 Cb 0.50 0.00 0.30 0.00 -0.02 0.00 0.00 41.12 41.90 2ji3 n ASP 85 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2ji3 n ASP 86 N 8.10 4.60 -4.69 -2.24 8.00 -1.26 -4.94 116.55 124.11 2ji3 n ASP 86 Ca 0.00 -3.20 -0.35 0.00 0.71 0.00 0.00 54.79 51.95 2ji3 n ASP 86 Cb 0.00 -0.69 -0.09 0.00 -0.02 0.00 0.00 41.12 40.31 2ji3 n ASP 86 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2ji3 s LYS 87 N -2.96 3.00 -0.34 -1.24 1.02 -0.11 -5.07 119.74 114.03 2ji3 s LYS 87 Ca 0.52 -0.40 -0.01 0.00 0.02 0.00 0.00 55.97 56.10 2ji3 s LYS 87 Cb 0.42 -2.81 0.13 0.00 -0.52 0.00 0.00 37.83 35.05 2ji3 s LYS 87 CO 0.12 0.71 0.18 0.00 -0.92 0.00 0.00 175.35 175.44 2ji3 s TYR 89 N 1.34 3.38 -0.06 0.00 2.02 -0.28 -4.94 117.35 118.80 2ji3 s TYR 89 Ca 0.15 0.47 0.06 0.00 -0.37 0.00 0.00 57.07 57.38 2ji3 s TYR 89 Cb -0.21 -2.38 -0.01 0.00 -0.40 0.00 0.00 41.96 38.96 2ji3 s TYR 89 CO -0.11 0.08 -0.25 0.99 -1.57 0.00 0.00 175.55 174.69 2ji3 s THR 90 N 0.99 2.05 -0.27 -0.71 2.01 -1.26 -0.01 115.64 118.45 2ji3 s THR 90 Ca 0.14 -1.06 0.02 0.00 0.31 0.00 0.00 61.69 61.10 2ji3 s THR 90 Cb -0.14 -1.73 0.06 0.00 0.01 0.00 0.00 72.50 70.70 2ji3 s THR 90 CO 0.05 0.57 -0.09 -1.58 -0.69 0.00 0.00 174.62 172.88 2ji3 s GLN 91 N -0.12 2.27 0.28 4.92 2.00 0.17 -4.99 119.66 124.19 2ji3 s GLN 91 Ca -0.05 -1.34 -0.26 0.00 -2.00 0.00 0.00 55.36 51.71 2ji3 s GLN 91 Cb -0.14 -2.94 -0.09 0.00 0.80 0.00 0.00 33.01 30.64 2ji3 s GLN 91 CO 0.04 -0.58 0.90 -0.06 -0.50 0.00 0.00 175.29 175.09 2ji3 s PHE 92 N 1.12 3.75 0.52 1.67 0.08 -1.26 -1.11 117.98 122.75 2ji3 s PHE 92 Ca -0.08 1.74 0.02 0.00 0.12 0.00 0.00 56.93 58.73 2ji3 s PHE 92 Cb -0.20 -2.88 -0.00 0.00 -0.57 0.00 0.00 43.02 39.37 2ji3 s PHE 92 CO -0.04 0.29 0.10 -0.51 -0.10 0.00 0.00 175.22 174.96 2ji3 s LEU 93 N -1.83 2.40 0.03 -0.37 1.43 -0.25 -4.94 118.68 115.16 2ji3 s LEU 93 Ca 0.47 -1.55 -0.06 0.00 -1.03 0.00 0.00 54.13 51.95 2ji3 s LEU 93 Cb -0.20 -0.85 -0.01 0.00 0.03 0.00 0.00 46.19 45.16 2ji3 s LEU 93 CO 0.25 -0.91 0.11 -0.54 0.23 0.00 0.00 176.35 175.50 2ji3 s LYS 94 N -3.97 0.59 0.32 1.70 1.02 -1.26 -4.82 119.74 113.31 2ji3 s LYS 94 Ca 0.13 -0.68 -0.29 0.00 0.02 0.00 0.00 55.97 55.15 2ji3 s LYS 94 Cb 0.01 0.23 -0.12 0.00 -0.52 0.00 0.00 37.83 37.43 2ji3 s LYS 94 CO 0.08 -0.15 1.32 -2.30 -0.92 0.00 0.00 175.35 173.37 2ji3 n PRO 95 N 0.86 2.12 0.00 -1.68 -0.02 -1.26 -1.56 135.00 133.46 2ji3 n PRO 95 Ca -0.20 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2ji3 n PRO 95 Cb 0.58 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2ji3 n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ji3 n GLY 96 N 1.06 2.71 3.96 -1.23 0.00 -0.10 -4.99 105.19 106.60 2ji3 n GLY 96 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 2ji3 n GLY 96 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ji3 s GLN 97 N -0.98 2.42 0.32 1.61 -0.21 -0.60 -5.07 119.66 117.15 2ji3 s GLN 97 Ca 0.00 -0.60 -0.26 0.00 0.02 0.00 0.00 55.36 54.53 2ji3 s GLN 97 Cb 0.00 -2.37 -0.10 0.00 1.00 0.00 0.00 33.01 31.54 2ji3 s GLN 97 CO 0.00 -0.90 0.94 0.00 -2.12 0.00 0.00 175.29 173.21 2ji3 s ALA 98 N -2.94 3.21 -1.52 6.09 0.00 -1.26 -4.79 121.76 120.55 2ji3 s ALA 98 Ca 0.58 0.52 -0.13 0.00 0.00 0.00 0.00 51.96 52.93 2ji3 s ALA 98 Cb -0.10 -3.18 -0.00 0.00 0.00 0.00 0.00 23.12 19.83 2ji3 s ALA 98 CO 0.41 0.18 2.48 -0.35 0.00 0.00 0.00 175.76 178.47 2ji3 n PRO 99 N 0.53 3.15 -3.83 0.00 -0.04 -1.26 -4.85 135.00 128.71 2ji3 n PRO 99 Ca 0.02 -2.48 -0.09 0.00 -0.04 0.00 0.00 63.50 60.91 2ji3 n PRO 99 Cb 0.50 -3.12 -0.04 0.00 -0.04 0.00 0.00 33.50 30.80 2ji3 n PRO 99 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2ji3 s GLU 100 N 2.81 1.49 -0.03 0.54 -1.05 -1.26 -1.41 118.70 119.79 2ji3 s GLU 100 Ca 0.55 -1.00 -0.25 0.00 -0.15 0.00 0.00 54.97 54.12 2ji3 s GLU 100 Cb 0.15 0.52 0.05 0.00 -0.44 0.00 0.00 34.13 34.42 2ji3 s GLU 100 CO -0.08 -0.64 0.55 0.00 0.95 0.00 0.00 175.26 176.05 2ji3 s ALA 101 N -3.92 -1.43 -0.07 -0.84 0.00 -0.56 -5.01 121.76 109.92 2ji3 s ALA 101 Ca 0.13 0.95 0.05 0.00 0.00 0.00 0.00 51.96 53.09 2ji3 s ALA 101 Cb -0.02 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 2ji3 s ALA 101 CO 0.02 -0.35 -0.23 0.08 0.00 0.00 0.00 175.76 175.27 2ji3 s VAL 102 N -1.37 2.17 -0.12 0.00 1.01 -1.26 -0.94 120.40 119.89 2ji3 s VAL 102 Ca -0.11 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.86 2ji3 s VAL 102 Cb -0.02 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.58 2ji3 s VAL 102 CO 0.07 0.57 -0.12 -0.36 0.00 0.00 0.00 175.10 175.25 2ji3 s PHE 103 N -0.04 1.86 -0.36 5.22 0.08 0.19 -5.01 117.98 119.91 2ji3 s PHE 103 Ca -0.07 -0.94 -0.22 0.00 0.12 0.00 0.00 56.93 55.82 2ji3 s PHE 103 Cb -0.15 -1.40 0.01 0.00 -0.57 0.00 0.00 43.02 40.91 2ji3 s PHE 103 CO 0.05 -0.54 0.70 -0.51 -0.10 0.00 0.00 175.22 174.82 2ji3 s LEU 104 N 1.33 4.21 0.05 -0.37 1.43 -1.26 -0.76 118.68 123.31 2ji3 s LEU 104 Ca -0.00 0.22 -0.27 0.00 -1.03 0.00 0.00 54.13 53.05 2ji3 s LEU 104 Cb -0.14 -2.89 0.07 0.00 0.03 0.00 0.00 46.19 43.27 2ji3 s LEU 104 CO -0.06 -0.66 0.64 -0.51 0.23 0.00 0.00 176.35 175.99 2ji3 s ILE 105 N 2.88 0.00 -0.54 -0.59 2.07 -0.30 -4.94 121.20 119.78 2ji3 s ILE 105 Ca 0.27 -0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.44 2ji3 s ILE 105 Cb -0.14 -1.00 0.14 0.00 0.13 0.00 0.00 42.46 41.59 2ji3 s ILE 105 CO 0.16 -0.00 0.40 -1.61 -1.91 0.00 0.00 174.94 171.97 2ji3 s GLU 106 N -2.36 2.55 -0.30 3.50 0.41 -1.26 -3.75 118.70 117.49 2ji3 s GLU 106 Ca -0.06 -2.05 -0.06 0.00 -0.41 0.00 0.00 54.97 52.39 2ji3 s GLU 106 Cb -0.00 -3.88 0.16 0.00 -1.78 0.00 0.00 34.13 28.63 2ji3 s GLU 106 CO -0.01 -1.18 0.68 0.00 -0.49 0.00 0.00 175.26 174.26 2ji3 s ALA 107 N 0.83 -2.29 0.37 5.21 0.00 -1.26 -5.03 121.76 119.59 2ji3 s ALA 107 Ca 0.10 2.04 0.06 0.00 0.00 0.00 0.00 51.96 54.16 2ji3 s ALA 107 Cb -0.22 -2.03 0.72 0.00 0.00 0.00 0.00 23.12 21.59 2ji3 s ALA 107 CO -0.03 -1.15 1.94 0.00 0.00 0.00 0.00 175.76 176.52 2ji3 h ALA 108 N 7.96 1.50 -3.12 0.00 0.00 -2.02 -3.40 119.26 120.17 2ji3 h ALA 108 Ca -0.20 -0.15 -0.67 0.00 0.00 0.00 0.00 54.91 53.89 2ji3 h ALA 108 Cb 1.13 -0.14 -0.31 0.00 0.00 0.00 0.00 17.79 18.47 2ji3 h ALA 108 CO 0.16 0.37 -0.81 0.21 0.00 0.00 0.00 179.25 179.18 2ji3 s LYS 109 N -5.06 3.18 0.06 0.00 2.47 -1.26 -4.98 119.74 114.14 2ji3 s LYS 109 Ca -0.07 -0.75 0.01 0.00 -1.56 0.00 0.00 55.97 53.59 2ji3 s LYS 109 Cb 0.16 -2.68 -0.03 0.00 -1.46 0.00 0.00 37.83 33.82 2ji3 s LYS 109 CO 0.75 -0.09 -0.05 0.14 0.16 0.00 0.00 175.35 176.26 2ji3 s VAL 110 N 1.07 0.45 -0.09 4.02 -7.23 -1.26 -4.61 120.40 112.75 2ji3 s VAL 110 Ca -0.00 -1.57 0.03 0.00 -1.81 0.00 0.00 61.98 58.62 2ji3 s VAL 110 Cb -0.14 -1.21 0.01 0.00 0.56 0.00 0.00 36.38 35.59 2ji3 s VAL 110 CO -0.04 -0.75 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.11 2ji3 s VAL 111 N -2.92 1.70 -0.12 1.32 1.01 0.23 -2.71 120.40 118.92 2ji3 s VAL 111 Ca 0.02 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 2ji3 s VAL 111 Cb 0.01 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 2ji3 s VAL 111 CO -0.05 0.48 -0.09 0.00 0.00 0.00 0.00 175.10 175.45 2ji3 s ALA 112 N 0.53 2.83 0.16 5.51 0.00 0.32 0.49 121.76 131.60 2ji3 s ALA 112 Ca -0.16 -0.87 0.10 0.00 0.00 0.00 0.00 51.96 51.03 2ji3 s ALA 112 Cb -0.17 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.59 2ji3 s ALA 112 CO 0.06 0.32 -0.21 1.03 0.00 0.00 0.00 175.76 176.96 2ji3 s ARG 113 N 0.05 1.33 0.01 0.00 0.52 0.17 -1.24 118.95 119.79 2ji3 s ARG 113 Ca -0.03 -1.39 -0.08 0.00 -0.52 0.00 0.00 55.73 53.71 2ji3 s ARG 113 Cb -0.14 -1.54 0.00 0.00 0.52 0.00 0.00 34.95 33.79 2ji3 s ARG 113 CO 0.04 0.33 0.16 0.00 0.02 0.00 0.00 175.30 175.85 2ji3 s ALA 114 N -1.68 -0.34 -0.09 2.13 0.00 -0.25 0.27 121.76 121.80 2ji3 s ALA 114 Ca 0.15 -0.16 -0.00 0.00 0.00 0.00 0.00 51.96 51.95 2ji3 s ALA 114 Cb -0.08 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.22 2ji3 s ALA 114 CO 0.07 -0.25 -0.06 -0.47 0.00 0.00 0.00 175.76 175.05 2ji3 s TYR 115 N -1.70 1.23 -0.16 0.00 6.14 -1.01 -1.17 117.35 120.67 2ji3 s TYR 115 Ca -0.12 -0.53 -0.12 0.00 0.64 0.00 0.00 57.07 56.93 2ji3 s TYR 115 Cb -0.06 -1.06 -0.05 0.00 0.42 0.00 0.00 41.96 41.21 2ji3 s TYR 115 CO 0.00 -0.41 0.24 0.00 0.64 0.00 0.00 175.55 176.02 2ji3 h ASN 117 N 6.37 0.00 0.00 0.00 -1.07 -1.75 -1.74 115.58 117.38 2ji3 h ASN 117 Ca -0.43 0.00 -0.31 0.00 0.07 0.00 0.00 56.30 55.63 2ji3 h ASN 117 Cb 1.17 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.37 2ji3 h ASN 117 CO 0.73 0.00 -2.02 -0.38 0.07 0.00 0.00 177.43 175.83 2ji3 n ILE 118 N -3.82 1.45 1.12 6.14 2.08 -1.26 -4.70 119.36 120.37 2ji3 n ILE 118 Ca -0.00 -0.21 0.05 0.00 0.56 0.00 0.00 62.75 63.14 2ji3 n ILE 118 Cb 0.23 -1.99 0.14 0.00 -0.75 0.00 0.00 39.64 37.27 2ji3 n ILE 118 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 2ji3 n HIS 119 N -4.24 0.36 -3.92 1.39 8.25 -1.21 -5.05 115.22 110.80 2ji3 n HIS 119 Ca -0.40 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 56.87 2ji3 n HIS 119 Cb 0.76 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.87 2ji3 n HIS 119 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ji3 n GLY 120 N 0.95 -1.32 3.75 -1.41 0.00 -0.66 -4.70 105.19 101.81 2ji3 n GLY 120 Ca 0.10 -1.29 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 2ji3 n GLY 120 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ji3 s HIS 121 N 0.00 3.65 0.03 1.61 2.46 -1.26 -0.83 115.29 120.95 2ji3 s HIS 121 Ca 0.00 1.19 -0.00 0.00 0.47 0.00 0.00 55.06 56.71 2ji3 s HIS 121 Cb 0.00 -2.64 -0.03 0.00 -0.13 0.00 0.00 32.58 29.78 2ji3 s HIS 121 CO 0.00 0.29 -0.03 -1.58 -2.47 0.00 0.00 174.74 170.95 2ji3 s TRP 122 N 0.04 0.39 0.15 3.88 0.52 -0.32 -1.24 118.94 122.37 2ji3 s TRP 122 Ca 0.32 -0.75 -0.11 0.00 0.02 0.00 0.00 56.10 55.58 2ji3 s TRP 122 Cb -0.18 -0.28 0.00 0.00 -1.15 0.00 0.00 33.47 31.86 2ji3 s TRP 122 CO 0.17 -0.26 0.33 -1.59 0.02 0.00 0.00 176.95 175.62 2ji3 s LYS 123 N -2.48 1.14 0.18 4.98 -2.85 -1.26 -1.09 119.74 118.37 2ji3 s LYS 123 Ca -0.06 -1.02 -0.16 0.00 -1.00 0.00 0.00 55.97 53.72 2ji3 s LYS 123 Cb -0.03 0.41 0.03 0.00 -2.06 0.00 0.00 37.83 36.18 2ji3 s LYS 123 CO -0.05 -0.43 0.48 0.00 0.10 0.00 0.00 175.35 175.45 2ji3 s ALA 124 N -3.91 -0.85 0.06 0.59 0.00 -0.38 -4.59 121.76 112.68 2ji3 s ALA 124 Ca 0.12 -0.25 -0.08 0.00 0.00 0.00 0.00 51.96 51.75 2ji3 s ALA 124 Cb 0.03 0.83 -0.00 0.00 0.00 0.00 0.00 23.12 23.97 2ji3 s ALA 124 CO -0.04 -0.76 0.16 -1.83 0.00 0.00 0.00 175.76 173.29 2ji3 s GLU 125 N -3.87 0.72 0.00 0.00 -1.05 -1.26 -0.52 118.70 112.72 2ji3 s GLU 125 Ca 0.09 -0.81 0.21 0.00 -0.15 0.00 0.00 54.97 54.31 2ji3 s GLU 125 Cb -0.00 0.29 0.17 0.00 -0.44 0.00 0.00 34.13 34.15 2ji3 s GLU 125 CO -0.04 -0.21 1.18 0.27 0.95 0.00 0.00 175.26 177.41