#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jj4 s LYS 2 N 0.00 0.59 -0.33 2.12 -0.14 -0.68 -0.42 119.74 120.87 2jj4 s LYS 2 Ca 0.00 -0.77 -0.04 0.00 -1.36 0.00 0.00 55.97 53.80 2jj4 s LYS 2 Cb 0.00 -0.41 0.05 0.00 -1.68 0.00 0.00 37.83 35.79 2jj4 s LYS 2 CO 0.00 0.08 0.07 0.21 -0.76 0.00 0.00 175.35 174.96 2jj4 s LYS 3 N -1.54 2.47 -0.12 1.68 2.20 0.33 -0.28 119.74 124.48 2jj4 s LYS 3 Ca -0.08 -1.30 -0.24 0.00 -0.36 0.00 0.00 55.97 53.99 2jj4 s LYS 3 Cb -0.10 -3.36 -0.03 0.00 -1.51 0.00 0.00 37.83 32.84 2jj4 s LYS 3 CO 0.01 -0.70 0.76 0.42 -0.36 0.00 0.00 175.35 175.48 2jj4 s ILE 4 N 1.31 4.97 -0.18 5.43 1.01 -0.55 -1.71 121.20 131.48 2jj4 s ILE 4 Ca -0.02 1.52 0.00 0.00 0.00 0.00 0.00 60.65 62.15 2jj4 s ILE 4 Cb -0.20 -4.08 0.01 0.00 0.01 0.00 0.00 42.46 38.20 2jj4 s ILE 4 CO 0.00 0.13 -0.17 -1.61 0.00 0.00 0.00 174.94 173.29 2jj4 s GLU 5 N 1.52 3.07 -0.25 2.79 2.02 0.79 -2.04 118.70 126.60 2jj4 s GLU 5 Ca 0.37 -0.79 -0.01 0.00 0.02 0.00 0.00 54.97 54.56 2jj4 s GLU 5 Cb -0.17 -2.63 0.03 0.00 0.10 0.00 0.00 34.13 31.46 2jj4 s GLU 5 CO 0.15 -0.17 -0.06 0.00 0.02 0.00 0.00 175.26 175.20 2jj4 s ALA 6 N 1.23 2.70 -0.43 5.21 0.00 -0.13 -0.00 121.76 130.35 2jj4 s ALA 6 Ca 0.03 -1.50 -0.22 0.00 0.00 0.00 0.00 51.96 50.27 2jj4 s ALA 6 Cb -0.14 -1.71 0.02 0.00 0.00 0.00 0.00 23.12 21.30 2jj4 s ALA 6 CO -0.09 -0.86 0.75 0.42 0.00 0.00 0.00 175.76 175.97 2jj4 s ILE 7 N 1.31 4.71 0.14 0.00 -1.09 -0.41 -0.63 121.20 125.23 2jj4 s ILE 7 Ca -0.01 0.45 0.08 0.00 -2.23 0.00 0.00 60.65 58.94 2jj4 s ILE 7 Cb -0.17 -4.27 -0.04 0.00 -1.58 0.00 0.00 42.46 36.40 2jj4 s ILE 7 CO -0.04 -0.63 -0.17 0.27 -1.23 0.00 0.00 174.94 173.14 2jj4 s ILE 8 N 3.14 1.65 0.19 2.92 -4.36 0.71 -2.90 121.20 122.55 2jj4 s ILE 8 Ca 0.28 -1.80 -0.33 0.00 -0.26 0.00 0.00 60.65 58.54 2jj4 s ILE 8 Cb -0.13 -1.70 -0.13 0.00 1.25 0.00 0.00 42.46 41.75 2jj4 s ILE 8 CO 0.21 -0.31 1.57 0.54 0.24 0.00 0.00 174.94 177.18 2jj4 n ARG 9 N 0.48 2.24 -0.35 0.37 1.74 -1.25 -0.68 116.66 119.20 2jj4 n ARG 9 Ca -0.15 0.80 0.07 0.00 -0.77 0.00 0.00 57.85 57.81 2jj4 n ARG 9 Cb 0.57 -2.57 0.16 0.00 -1.02 0.00 0.00 32.46 29.60 2jj4 n ARG 9 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2jj4 h PRO 10 N 5.70 0.00 0.00 5.56 0.11 -1.87 -2.08 132.00 139.43 2jj4 h PRO 10 Ca -0.45 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 2jj4 h PRO 10 Cb 1.25 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2jj4 h PRO 10 CO 0.87 0.00 -0.37 0.27 -0.21 0.00 0.00 178.00 178.56 2jj4 h PHE 11 N 0.00 0.00 0.00 0.65 -5.15 -1.98 -3.14 116.94 107.32 2jj4 h PHE 11 Ca 0.49 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 58.22 2jj4 h PHE 11 Cb 0.81 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.97 2jj4 h PHE 11 CO -0.71 0.37 -0.21 0.87 -2.00 0.00 0.00 178.31 176.63 2jj4 h LYS 12 N 0.00 0.00 -0.67 6.09 1.79 -1.75 -3.36 116.57 118.67 2jj4 h LYS 12 Ca -0.00 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.64 2jj4 h LYS 12 Cb 0.71 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.23 2jj4 h LYS 12 CO 0.05 0.21 -0.03 -0.11 -1.08 0.00 0.00 179.45 178.48 2jj4 n LEU 13 N -3.57 -0.12 -0.11 2.94 0.00 -1.19 0.15 117.00 115.11 2jj4 n LEU 13 Ca -0.01 1.15 -0.10 0.00 0.00 0.00 0.00 56.01 57.05 2jj4 n LEU 13 Cb 0.35 -0.40 -0.02 0.00 0.00 0.00 0.00 43.42 43.35 2jj4 n LEU 13 CO 0.33 -1.15 0.91 0.44 0.00 0.00 0.00 177.39 177.92 2jj4 h ASP 14 N 0.00 0.45 -0.95 1.96 5.19 -1.87 0.19 116.42 121.39 2jj4 h ASP 14 Ca 0.39 -0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 56.64 2jj4 h ASP 14 Cb 0.76 -0.12 -0.05 0.00 0.18 0.00 0.00 39.33 40.10 2jj4 h ASP 14 CO -0.65 0.48 0.58 -0.08 -3.12 0.00 0.00 179.24 176.46 2jj4 h GLU 15 N 0.39 1.29 0.10 3.56 4.81 -0.57 -1.02 114.58 123.14 2jj4 h GLU 15 Ca 0.11 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2jj4 h GLU 15 Cb 0.17 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2jj4 h GLU 15 CO -0.01 0.90 -0.05 0.28 -0.73 0.00 0.00 179.01 179.40 2jj4 h VAL 16 N 1.31 1.11 -0.19 0.32 2.07 -1.32 -2.42 116.25 117.13 2jj4 h VAL 16 Ca 0.34 -0.94 0.05 0.00 0.82 0.00 0.00 66.70 66.98 2jj4 h VAL 16 Cb -0.07 1.69 -0.07 0.00 -1.52 0.00 0.00 31.29 31.33 2jj4 h VAL 16 CO -0.07 0.22 -0.36 0.50 0.02 0.00 0.00 177.57 177.88 2jj4 h LYS 17 N -0.58 -0.39 -0.85 1.57 3.64 -0.74 -0.37 116.57 118.85 2jj4 h LYS 17 Ca -0.01 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2jj4 h LYS 17 Cb 0.47 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 2jj4 h LYS 17 CO 0.02 -0.26 0.55 0.97 -2.27 0.00 0.00 179.45 178.46 2jj4 h ILE 18 N -0.40 1.22 -0.99 2.00 2.10 -1.27 -0.97 117.51 119.19 2jj4 h ILE 18 Ca 0.10 -0.43 0.09 0.00 1.08 0.00 0.00 64.86 65.70 2jj4 h ILE 18 Cb 0.58 -0.01 -0.07 0.00 -1.09 0.00 0.00 36.82 36.22 2jj4 h ILE 18 CO -0.41 0.22 0.63 0.00 -1.08 0.00 0.00 178.15 177.51 2jj4 h ALA 19 N 1.30 1.43 -0.11 0.18 0.00 -0.78 0.05 119.26 121.33 2jj4 h ALA 19 Ca 0.31 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.99 2jj4 h ALA 19 Cb -0.11 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.44 2jj4 h ALA 19 CO -0.06 0.34 -0.83 -0.07 0.00 0.00 0.00 179.25 178.62 2jj4 h LEU 20 N 1.08 0.92 -0.76 0.00 4.07 -0.29 -0.68 115.31 119.65 2jj4 h LEU 20 Ca 0.46 -0.66 -0.08 0.00 0.08 0.00 0.00 57.88 57.68 2jj4 h LEU 20 Cb 0.31 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.75 2jj4 h LEU 20 CO -0.21 1.44 0.10 0.58 -1.08 0.00 0.00 178.44 179.26 2jj4 h VAL 21 N 0.47 1.26 -0.68 1.22 2.07 -0.92 0.19 116.25 119.85 2jj4 h VAL 21 Ca -0.07 -1.02 -0.07 0.00 0.82 0.00 0.00 66.70 66.36 2jj4 h VAL 21 Cb 1.47 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 2jj4 h VAL 21 CO 0.17 0.38 0.14 0.78 0.02 0.00 0.00 177.57 179.06 2jj4 h ASN 22 N 0.97 1.05 0.29 0.57 2.35 -0.98 0.14 115.58 119.97 2jj4 h ASN 22 Ca 0.19 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2jj4 h ASN 22 Cb 0.43 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.52 2jj4 h ASN 22 CO 0.01 1.02 0.00 0.00 -1.65 0.00 0.00 177.43 176.81 2jj4 n ALA 23 N -2.46 2.05 -1.58 -0.83 0.00 -0.27 -4.91 120.51 112.51 2jj4 n ALA 23 Ca 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 2jj4 n ALA 23 Cb 0.27 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.41 2jj4 n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jj4 n GLY 24 N 0.30 0.74 3.53 0.00 0.00 0.45 -5.04 105.19 105.18 2jj4 n GLY 24 Ca 0.10 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 2jj4 n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jj4 s ILE 25 N -3.02 3.47 -0.18 -0.61 -1.09 -0.05 -4.97 121.20 114.75 2jj4 s ILE 25 Ca 0.02 -0.56 -0.15 0.00 -2.23 0.00 0.00 60.65 57.73 2jj4 s ILE 25 Cb -0.00 -2.41 -0.09 0.00 -1.58 0.00 0.00 42.46 38.38 2jj4 s ILE 25 CO 0.03 0.59 -0.12 0.55 -1.23 0.00 0.00 174.94 174.76 2jj4 n VAL 26 N 2.38 1.48 -4.02 2.92 3.14 -1.26 -4.55 118.33 118.41 2jj4 n VAL 26 Ca -0.18 0.06 -0.31 0.00 -2.96 0.00 0.00 64.34 60.95 2jj4 n VAL 26 Cb 0.53 -2.23 -0.15 0.00 -1.06 0.00 0.00 33.84 30.93 2jj4 n VAL 26 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2jj4 s GLY 27 N -4.68 1.79 0.21 7.55 0.00 -1.26 -5.10 107.32 105.83 2jj4 s GLY 27 Ca -0.24 -2.21 0.08 0.00 0.00 0.00 0.00 44.72 42.35 2jj4 s GLY 27 CO 0.39 0.85 -0.01 1.06 0.00 0.00 0.00 173.10 175.40 2jj4 s MET 28 N 1.01 2.35 -0.01 2.90 1.00 -1.26 -4.31 119.30 120.98 2jj4 s MET 28 Ca 0.04 -1.22 0.02 0.00 0.00 0.00 0.00 55.69 54.52 2jj4 s MET 28 Cb -0.19 -2.28 0.00 0.00 0.00 0.00 0.00 34.83 32.36 2jj4 s MET 28 CO -0.08 0.42 -0.05 0.95 0.00 0.00 0.00 175.02 176.26 2jj4 s THR 29 N -1.93 0.47 0.04 2.05 -4.23 -0.45 -4.99 115.64 106.60 2jj4 s THR 29 Ca 0.29 -0.22 0.07 0.00 -1.18 0.00 0.00 61.69 60.65 2jj4 s THR 29 Cb -0.08 -0.42 -0.03 0.00 1.34 0.00 0.00 72.50 73.30 2jj4 s THR 29 CO 0.19 0.15 -0.18 0.68 -0.54 0.00 0.00 174.62 174.92 2jj4 s VAL 30 N 0.10 2.79 0.04 2.29 -7.23 -1.26 -0.17 120.40 116.96 2jj4 s VAL 30 Ca -0.01 -1.17 0.02 0.00 -1.81 0.00 0.00 61.98 59.01 2jj4 s VAL 30 Cb -0.05 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.69 2jj4 s VAL 30 CO -0.00 0.35 -0.08 -0.94 -0.31 0.00 0.00 175.10 174.12 2jj4 s SER 31 N -1.41 0.84 -0.09 4.85 1.04 -0.05 -5.02 113.70 113.86 2jj4 s SER 31 Ca 0.14 -0.56 -0.24 0.00 0.48 0.00 0.00 55.95 55.77 2jj4 s SER 31 Cb -0.10 0.04 -0.03 0.00 0.10 0.00 0.00 66.02 66.02 2jj4 s SER 31 CO 0.05 -0.21 0.76 -1.61 0.98 0.00 0.00 173.24 173.20 2jj4 s GLU 32 N -1.63 4.41 0.02 4.02 2.02 -1.26 -1.64 118.70 124.63 2jj4 s GLU 32 Ca -0.10 0.95 0.01 0.00 0.02 0.00 0.00 54.97 55.85 2jj4 s GLU 32 Cb -0.10 -3.49 -0.01 0.00 0.10 0.00 0.00 34.13 30.63 2jj4 s GLU 32 CO 0.00 -0.06 -0.03 0.08 0.02 0.00 0.00 175.26 175.28 2jj4 s VAL 33 N 1.19 0.18 -0.09 2.63 1.01 -1.01 -4.92 120.40 119.39 2jj4 s VAL 33 Ca 0.39 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 2jj4 s VAL 33 Cb -0.18 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 2jj4 s VAL 33 CO 0.17 -0.28 0.11 -0.13 0.00 0.00 0.00 175.10 174.97 2jj4 s ARG 34 N -0.95 3.30 0.35 2.72 0.52 -1.26 0.13 118.95 123.76 2jj4 s ARG 34 Ca -0.09 -0.25 0.01 0.00 -0.52 0.00 0.00 55.73 54.89 2jj4 s ARG 34 Cb -0.06 -3.06 -0.00 0.00 0.52 0.00 0.00 34.95 32.34 2jj4 s ARG 34 CO -0.00 0.74 0.43 0.41 0.02 0.00 0.00 175.30 176.89 2jj4 n GLY 35 N 1.81 2.35 3.63 -3.53 0.00 0.12 -4.81 105.19 104.76 2jj4 n GLY 35 Ca -0.18 -1.71 -0.06 0.00 0.00 0.00 0.00 46.02 44.07 2jj4 n GLY 35 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jj4 s PHE 36 N -3.03 -0.21 -0.30 1.61 -0.71 -1.26 -0.65 117.98 113.42 2jj4 s PHE 36 Ca 0.33 0.46 -0.07 0.00 -1.04 0.00 0.00 56.93 56.62 2jj4 s PHE 36 Cb -0.00 0.45 0.16 0.00 -1.21 0.00 0.00 43.02 42.42 2jj4 s PHE 36 CO 0.24 -0.14 0.64 0.20 -1.34 0.00 0.00 175.22 174.82 2jj4 s GLY 37 N -0.38 -0.82 -0.34 1.99 0.00 -1.26 -5.11 107.32 101.40 2jj4 s GLY 37 Ca 0.05 2.17 -0.01 0.00 0.00 0.00 0.00 44.72 46.93 2jj4 s GLY 37 CO -0.08 3.21 0.16 0.50 0.00 0.00 0.00 173.10 176.88 2jj4 s ARG 38 N 2.87 0.68 3.10 2.90 3.00 -1.26 -4.78 118.95 125.46 2jj4 s ARG 38 Ca 0.05 -1.20 0.00 0.00 0.00 0.00 0.00 55.73 54.58 2jj4 s ARG 38 Cb -0.13 -1.73 0.00 0.00 0.00 0.00 0.00 34.95 33.08 2jj4 s ARG 38 CO -0.20 -1.08 0.00 0.00 0.00 0.00 0.00 175.30 174.03 2jj4 n GLN 39 N 4.49 0.00 -0.96 3.54 0.00 -1.26 -3.18 117.38 120.01 2jj4 n GLN 39 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.02 2jj4 n GLN 39 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.63 2jj4 n GLN 39 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 2jj4 n LYS 40 N 0.00 -0.22 -2.32 2.61 0.00 -1.26 -4.91 118.16 112.06 2jj4 n LYS 40 Ca 0.00 0.06 -0.02 0.00 -0.00 0.00 0.00 58.31 58.34 2jj4 n LYS 40 Cb 0.00 -3.17 0.00 0.00 -0.00 0.00 0.00 35.03 31.86 2jj4 n LYS 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jj4 n GLY 41 N -2.13 -2.53 3.33 2.58 0.00 -1.19 -5.11 105.19 100.14 2jj4 n GLY 41 Ca 0.00 0.47 -0.11 0.00 0.00 0.00 0.00 46.02 46.38 2jj4 n GLY 41 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jj4 s GLN 42 N -1.50 1.34 -0.09 1.61 -0.44 -1.24 -5.16 119.66 114.18 2jj4 s GLN 42 Ca 0.07 -1.52 0.04 0.00 -2.50 0.00 0.00 55.36 51.46 2jj4 s GLN 42 Cb -0.02 0.34 -0.00 0.00 -1.64 0.00 0.00 33.01 31.69 2jj4 s GLN 42 CO 0.50 -0.49 -0.23 0.95 0.50 0.00 0.00 175.29 176.52 2jj4 s THR 43 N -4.07 2.14 0.23 -0.34 -4.23 -1.26 -4.69 115.64 103.42 2jj4 s THR 43 Ca 0.34 -1.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.80 2jj4 s THR 43 Cb 0.04 -1.81 -0.05 0.00 1.34 0.00 0.00 72.50 72.02 2jj4 s THR 43 CO 0.12 0.56 0.47 -0.70 -0.54 0.00 0.00 174.62 174.53 2jj4 s GLU 44 N 0.22 3.61 -0.15 3.99 2.12 -0.33 -4.85 118.70 123.31 2jj4 s GLU 44 Ca -0.15 -0.09 -0.04 0.00 0.36 0.00 0.00 54.97 55.06 2jj4 s GLU 44 Cb -0.17 -2.74 -0.03 0.00 0.26 0.00 0.00 34.13 31.45 2jj4 s GLU 44 CO 0.08 0.33 -0.02 1.03 -0.54 0.00 0.00 175.26 176.13 2jj4 s ARG 45 N -3.23 3.63 -0.14 4.30 0.52 -1.26 -1.15 118.95 121.62 2jj4 s ARG 45 Ca 0.42 -0.49 -0.06 0.00 -0.52 0.00 0.00 55.73 55.08 2jj4 s ARG 45 Cb -0.11 -2.93 0.06 0.00 0.52 0.00 0.00 34.95 32.49 2jj4 s ARG 45 CO 0.28 0.29 0.31 -0.47 0.02 0.00 0.00 175.30 175.73 2jj4 s TYR 46 N 0.23 -0.49 -1.50 -0.53 5.04 -0.68 -4.89 117.35 114.54 2jj4 s TYR 46 Ca -0.02 1.06 -0.03 0.00 -2.44 0.00 0.00 57.07 55.65 2jj4 s TYR 46 Cb -0.14 0.09 0.00 0.00 0.35 0.00 0.00 41.96 42.26 2jj4 s TYR 46 CO 0.03 -0.34 0.13 0.54 -1.34 0.00 0.00 175.55 174.56 2jj4 n ARG 47 N 4.92 -1.30 0.00 4.97 1.74 -1.26 -1.05 116.66 124.68 2jj4 n ARG 47 Ca -0.14 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2jj4 n ARG 47 Cb 0.51 -3.67 0.00 0.00 -1.02 0.00 0.00 32.46 28.28 2jj4 n ARG 47 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jj4 n GLY 48 N -2.44 2.96 3.81 -0.13 0.00 -1.26 -5.00 105.19 103.13 2jj4 n GLY 48 Ca -0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 2jj4 n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jj4 s SER 49 N -1.95 5.79 -0.03 1.61 0.01 -0.21 -5.10 113.70 113.81 2jj4 s SER 49 Ca 0.00 0.15 -0.23 0.00 1.31 0.00 0.00 55.95 57.18 2jj4 s SER 49 Cb 0.00 -1.68 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 2jj4 s SER 49 CO 0.00 0.25 0.68 -1.61 0.41 0.00 0.00 173.24 172.97 2jj4 s GLU 50 N -1.93 4.42 0.03 12.44 2.02 -1.26 -1.69 118.70 132.73 2jj4 s GLU 50 Ca 0.25 0.87 0.05 0.00 0.02 0.00 0.00 54.97 56.17 2jj4 s GLU 50 Cb -0.12 -3.40 -0.02 0.00 0.10 0.00 0.00 34.13 30.68 2jj4 s GLU 50 CO 0.17 0.18 -0.15 0.71 0.02 0.00 0.00 175.26 176.20 2jj4 s TYR 51 N 0.38 1.28 -0.07 1.61 1.51 -0.30 -4.98 117.35 116.79 2jj4 s TYR 51 Ca 0.36 -0.33 -0.09 0.00 -1.01 0.00 0.00 57.07 56.00 2jj4 s TYR 51 Cb -0.18 -0.77 -0.03 0.00 -0.11 0.00 0.00 41.96 40.87 2jj4 s TYR 51 CO 0.19 0.03 -0.17 0.25 -1.11 0.00 0.00 175.55 174.74 2jj4 n THR 52 N 2.04 0.92 0.00 -0.71 -2.24 -1.26 -1.19 114.28 111.85 2jj4 n THR 52 Ca -0.17 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2jj4 n THR 52 Cb 0.55 -1.88 0.00 0.00 -2.10 0.00 0.00 70.33 66.89 2jj4 n THR 52 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2jj4 n VAL 53 N -3.61 0.00 -2.18 2.28 3.14 -1.26 -4.76 118.33 111.95 2jj4 n VAL 53 Ca -0.07 -0.40 -0.33 0.00 -2.96 0.00 0.00 64.34 60.58 2jj4 n VAL 53 Cb 0.25 0.91 -0.01 0.00 -1.06 0.00 0.00 33.84 33.93 2jj4 n VAL 53 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 2jj4 s GLU 54 N -1.17 3.53 0.21 1.45 1.03 -1.26 -4.98 118.70 117.50 2jj4 s GLU 54 Ca 0.00 1.15 -0.30 0.00 0.03 0.00 0.00 54.97 55.85 2jj4 s GLU 54 Cb 0.00 -2.07 -0.08 0.00 -0.80 0.00 0.00 34.13 31.18 2jj4 s GLU 54 CO 0.00 -0.64 1.10 -0.06 -1.33 0.00 0.00 175.26 174.33 2jj4 s PHE 55 N -2.47 3.60 0.19 4.83 0.40 -1.26 -4.77 117.98 118.49 2jj4 s PHE 55 Ca 0.63 1.63 0.11 0.00 -0.60 0.00 0.00 56.93 58.69 2jj4 s PHE 55 Cb -0.14 -3.27 -0.04 0.00 0.51 0.00 0.00 43.02 40.07 2jj4 s PHE 55 CO 0.34 -0.59 -0.24 -0.51 0.70 0.00 0.00 175.22 174.93 2jj4 s LEU 56 N -0.66 2.43 0.05 -0.37 1.43 0.17 -4.81 118.68 116.92 2jj4 s LEU 56 Ca 0.48 -0.86 -0.31 0.00 -1.03 0.00 0.00 54.13 52.41 2jj4 s LEU 56 Cb -0.30 -1.16 -0.07 0.00 0.03 0.00 0.00 46.19 44.69 2jj4 s LEU 56 CO 0.36 0.12 1.42 -1.58 0.23 0.00 0.00 176.35 176.90 2jj4 s GLN 57 N -2.64 4.29 0.00 1.70 2.00 -1.26 0.14 119.66 123.88 2jj4 s GLN 57 Ca 0.20 2.04 0.00 0.00 -2.00 0.00 0.00 55.36 55.60 2jj4 s GLN 57 Cb -0.08 -3.45 0.00 0.00 0.80 0.00 0.00 33.01 30.28 2jj4 s GLN 57 CO 0.10 -0.54 0.00 1.63 -0.50 0.00 0.00 175.29 175.98 2jj4 n LYS 58 N 4.85 0.09 -3.66 1.67 4.76 0.34 -4.59 118.16 121.62 2jj4 n LYS 58 Ca 0.13 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.34 2jj4 n LYS 58 Cb 0.43 0.00 -0.18 0.00 -1.84 0.00 0.00 35.03 33.44 2jj4 n LYS 58 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2jj4 s LEU 59 N 0.00 0.30 -0.02 -0.35 1.43 0.15 -2.41 118.68 117.78 2jj4 s LEU 59 Ca 0.00 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.60 2jj4 s LEU 59 Cb 0.00 -0.22 -0.03 0.00 0.03 0.00 0.00 46.19 45.97 2jj4 s LEU 59 CO 0.00 -0.28 0.97 -0.75 0.23 0.00 0.00 176.35 176.51 2jj4 s LYS 60 N 2.13 4.54 -0.16 1.70 2.20 -0.65 -0.20 119.74 129.28 2jj4 s LYS 60 Ca 0.04 1.38 0.00 0.00 -0.36 0.00 0.00 55.97 57.03 2jj4 s LYS 60 Cb -0.14 -3.47 0.03 0.00 -1.51 0.00 0.00 37.83 32.75 2jj4 s LYS 60 CO -0.05 -0.07 -0.10 -1.17 -0.36 0.00 0.00 175.35 173.59 2jj4 s LEU 61 N 1.12 1.75 -0.21 5.43 2.96 0.19 -0.87 118.68 129.05 2jj4 s LEU 61 Ca 0.51 -0.61 -0.02 0.00 -0.22 0.00 0.00 54.13 53.79 2jj4 s LEU 61 Cb -0.20 -1.08 0.01 0.00 0.50 0.00 0.00 46.19 45.42 2jj4 s LEU 61 CO 0.26 -0.12 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.45 2jj4 s GLU 62 N 1.53 3.15 0.22 1.98 2.02 0.76 -0.95 118.70 127.40 2jj4 s GLU 62 Ca 0.02 -0.76 0.09 0.00 0.02 0.00 0.00 54.97 54.35 2jj4 s GLU 62 Cb -0.14 -2.83 -0.05 0.00 0.10 0.00 0.00 34.13 31.21 2jj4 s GLU 62 CO -0.09 -0.23 -0.17 0.96 0.02 0.00 0.00 175.26 175.75 2jj4 s ILE 63 N 1.38 1.97 -0.12 -1.63 -4.36 -0.86 -1.34 121.20 116.24 2jj4 s ILE 63 Ca 0.05 -2.23 0.02 0.00 -0.26 0.00 0.00 60.65 58.24 2jj4 s ILE 63 Cb -0.14 -2.09 -0.00 0.00 1.25 0.00 0.00 42.46 41.48 2jj4 s ILE 63 CO -0.07 -0.49 -0.20 -0.69 0.24 0.00 0.00 174.94 173.72 2jj4 s VAL 64 N -2.69 2.36 0.02 8.37 1.01 -1.26 -1.48 120.40 126.72 2jj4 s VAL 64 Ca 0.24 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.35 2jj4 s VAL 64 Cb -0.03 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 2jj4 s VAL 64 CO 0.09 0.54 -0.10 -0.69 0.00 0.00 0.00 175.10 174.95 2jj4 s VAL 65 N 0.48 0.77 0.30 2.92 1.01 0.62 -4.94 120.40 121.55 2jj4 s VAL 65 Ca -0.14 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 60.87 2jj4 s VAL 65 Cb -0.17 -0.70 -0.11 0.00 0.00 0.00 0.00 36.38 35.40 2jj4 s VAL 65 CO 0.05 0.03 1.50 -1.61 0.00 0.00 0.00 175.10 175.07 2jj4 s GLU 66 N -0.73 4.18 0.35 2.72 0.41 -1.26 -1.69 118.70 122.68 2jj4 s GLU 66 Ca 0.00 2.46 0.17 0.00 -0.41 0.00 0.00 54.97 57.19 2jj4 s GLU 66 Cb -0.06 -3.04 1.19 0.00 -1.78 0.00 0.00 34.13 30.44 2jj4 s GLU 66 CO 0.00 -0.51 1.62 -0.44 -0.49 0.00 0.00 175.26 175.44 2jj4 h ASP 67 N 4.42 0.37 0.57 -0.19 3.32 -1.94 0.12 116.42 123.09 2jj4 h ASP 67 Ca -0.48 0.23 -0.10 0.00 0.02 0.00 0.00 57.03 56.70 2jj4 h ASP 67 Cb 1.22 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.98 2jj4 h ASP 67 CO 0.75 -0.29 -0.50 0.00 -1.72 0.00 0.00 179.24 177.48 2jj4 h ALA 68 N 1.92 1.11 -0.27 3.45 0.00 -2.03 -3.18 119.26 120.26 2jj4 h ALA 68 Ca 0.78 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 55.11 2jj4 h ALA 68 Cb 1.91 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 2jj4 h ALA 68 CO -0.70 0.62 -0.35 1.96 0.00 0.00 0.00 179.25 180.78 2jj4 h GLN 69 N 0.00 0.61 -0.61 0.00 4.20 -1.12 -3.38 115.11 114.81 2jj4 h GLN 69 Ca -0.00 -0.29 0.08 0.00 0.06 0.00 0.00 58.65 58.50 2jj4 h GLN 69 Cb 0.92 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.60 2jj4 h GLN 69 CO 0.06 0.87 -0.29 0.28 -0.67 0.00 0.00 178.83 179.09 2jj4 n VAL 70 N -4.06 -0.36 0.15 -0.54 0.31 -1.20 -1.87 118.33 110.76 2jj4 n VAL 70 Ca -0.01 1.45 -0.15 0.00 -0.01 0.00 0.00 64.34 65.62 2jj4 n VAL 70 Cb 0.49 -1.86 -0.08 0.00 -0.91 0.00 0.00 33.84 31.48 2jj4 n VAL 70 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2jj4 h ASP 71 N 0.00 -1.22 1.38 4.52 5.19 -1.83 -2.28 116.42 122.18 2jj4 h ASP 71 Ca 0.17 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.70 2jj4 h ASP 71 Cb 0.32 0.45 0.00 0.00 0.18 0.00 0.00 39.33 40.27 2jj4 h ASP 71 CO -0.59 -0.51 -0.13 0.71 -3.12 0.00 0.00 179.24 175.60 2jj4 h THR 72 N -0.70 0.00 0.00 0.35 1.35 -1.66 -2.85 112.91 109.41 2jj4 h THR 72 Ca 0.01 -0.50 -0.14 0.00 -0.55 0.00 0.00 66.41 65.22 2jj4 h THR 72 Cb 0.70 1.42 -0.02 0.00 -1.73 0.00 0.00 68.15 68.52 2jj4 h THR 72 CO -0.20 0.00 -0.93 -0.37 -0.25 0.00 0.00 175.52 173.77 2jj4 h VAL 73 N 0.00 0.78 -0.20 6.82 -1.51 -1.31 -1.32 116.25 119.51 2jj4 h VAL 73 Ca 0.00 -2.22 -0.04 0.00 -1.23 0.00 0.00 66.70 63.21 2jj4 h VAL 73 Cb 0.75 2.29 -0.01 0.00 -2.13 0.00 0.00 31.29 32.20 2jj4 h VAL 73 CO 0.00 0.44 -0.02 0.40 -1.23 0.00 0.00 177.57 177.17 2jj4 h ILE 74 N 0.00 1.27 -0.77 7.19 2.04 -1.39 -1.80 117.51 124.06 2jj4 h ILE 74 Ca -0.07 -0.93 0.15 0.00 1.00 0.00 0.00 64.86 65.01 2jj4 h ILE 74 Cb 1.50 1.49 -0.10 0.00 -0.74 0.00 0.00 36.82 38.97 2jj4 h ILE 74 CO 0.06 0.28 0.29 0.44 0.00 0.00 0.00 178.15 179.22 2jj4 h ASP 75 N 0.10 0.23 -0.56 1.72 3.32 -1.46 0.32 116.42 120.10 2jj4 h ASP 75 Ca 0.05 0.12 -0.11 0.00 0.02 0.00 0.00 57.03 57.11 2jj4 h ASP 75 Cb 0.43 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2jj4 h ASP 75 CO 0.01 0.07 -0.08 0.11 -1.72 0.00 0.00 179.24 177.63 2jj4 h LYS 76 N 0.41 1.04 0.69 3.56 6.56 -1.16 -2.68 116.57 124.99 2jj4 h LYS 76 Ca 0.43 -0.37 -0.03 0.00 -1.06 0.00 0.00 60.65 59.62 2jj4 h LYS 76 Cb 0.69 -0.07 0.01 0.00 -0.57 0.00 0.00 32.23 32.28 2jj4 h LYS 76 CO -0.44 1.07 -0.33 0.82 -2.06 0.00 0.00 179.45 178.51 2jj4 h ILE 77 N 0.93 0.00 -0.64 1.86 2.04 -0.46 -2.83 117.51 118.41 2jj4 h ILE 77 Ca 0.15 -0.29 0.13 0.00 1.00 0.00 0.00 64.86 65.85 2jj4 h ILE 77 Cb 0.65 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.63 2jj4 h ILE 77 CO 0.04 0.00 0.09 0.58 0.00 0.00 0.00 178.15 178.86 2jj4 h VAL 78 N -1.21 0.55 -0.32 1.67 2.07 -1.04 0.27 116.25 118.23 2jj4 h VAL 78 Ca -0.09 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.43 2jj4 h VAL 78 Cb 0.71 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 2jj4 h VAL 78 CO 0.15 0.04 -0.13 0.00 0.02 0.00 0.00 177.57 177.65 2jj4 h ALA 79 N 1.55 0.13 -0.14 1.67 0.00 -1.55 -1.84 119.26 119.08 2jj4 h ALA 79 Ca 0.34 0.12 -0.15 0.00 0.00 0.00 0.00 54.91 55.23 2jj4 h ALA 79 Cb 0.55 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2jj4 h ALA 79 CO -0.48 -0.52 -0.54 0.00 0.00 0.00 0.00 179.25 177.71 2jj4 h ALA 80 N 1.19 0.82 -0.02 0.00 0.00 -0.69 -3.33 119.26 117.23 2jj4 h ALA 80 Ca 0.16 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2jj4 h ALA 80 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2jj4 h ALA 80 CO -0.37 0.68 -0.20 0.00 0.00 0.00 0.00 179.25 179.36 2jj4 n ALA 81 N -2.49 2.95 -2.47 0.00 0.00 0.73 -4.71 120.51 114.51 2jj4 n ALA 81 Ca -0.02 -0.59 -0.38 0.00 0.00 0.00 0.00 53.44 52.44 2jj4 n ALA 81 Cb 0.58 -0.91 -0.06 0.00 0.00 0.00 0.00 19.45 19.06 2jj4 n ALA 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2jj4 s ARG 82 N -2.24 4.10 -0.00 0.00 3.52 -0.72 -4.80 118.95 118.81 2jj4 s ARG 82 Ca 0.26 0.53 0.05 0.00 -0.13 0.00 0.00 55.73 56.44 2jj4 s ARG 82 Cb 0.19 -3.27 -0.07 0.00 -1.56 0.00 0.00 34.95 30.24 2jj4 s ARG 82 CO 0.43 0.56 0.15 0.25 -0.81 0.00 0.00 175.30 175.88 2jj4 n THR 83 N 2.19 0.00 -0.57 4.11 -2.24 -1.26 -5.00 114.28 111.51 2jj4 n THR 83 Ca -0.11 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2jj4 n THR 83 Cb 0.52 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 2jj4 n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jj4 n GLY 84 N 1.81 1.67 3.87 3.38 0.00 -1.26 -5.02 105.19 109.64 2jj4 n GLY 84 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2jj4 n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jj4 s GLU 85 N -0.07 3.78 -0.21 1.61 0.41 -1.26 -5.00 118.70 117.96 2jj4 s GLU 85 Ca 0.00 0.19 -0.40 0.00 -0.41 0.00 0.00 54.97 54.35 2jj4 s GLU 85 Cb 0.00 -2.95 -0.17 0.00 -1.78 0.00 0.00 34.13 29.23 2jj4 s GLU 85 CO 0.00 0.52 1.57 -0.89 -0.49 0.00 0.00 175.26 175.98 2jj4 n ILE 86 N 0.73 0.16 -0.54 -1.63 5.41 -1.26 -3.05 119.36 119.18 2jj4 n ILE 86 Ca -0.06 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.66 2jj4 n ILE 86 Cb 0.52 -0.92 0.00 0.00 -0.71 0.00 0.00 39.64 38.54 2jj4 n ILE 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2jj4 n GLY 87 N 3.56 1.23 0.21 7.39 0.00 -1.26 -4.43 105.19 111.88 2jj4 n GLY 87 Ca 0.25 -0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.18 2jj4 n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jj4 h ASP 88 N 0.00 0.00 -5.00 1.61 5.19 -1.91 -3.44 116.42 112.87 2jj4 h ASP 88 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2jj4 h ASP 88 Cb 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 2jj4 h ASP 88 CO 0.00 0.25 0.00 0.61 -3.12 0.00 0.00 179.24 176.98 2jj4 n GLY 89 N 0.43 -0.23 3.22 2.75 0.00 -1.26 -3.88 105.19 106.21 2jj4 n GLY 89 Ca 0.01 -2.28 -0.16 0.00 0.00 0.00 0.00 46.02 43.59 2jj4 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jj4 s LYS 90 N -0.78 0.97 -0.09 1.61 3.01 -1.14 -4.99 119.74 118.32 2jj4 s LYS 90 Ca 0.00 -1.26 0.02 0.00 -1.01 0.00 0.00 55.97 53.72 2jj4 s LYS 90 Cb 0.00 -0.71 -0.02 0.00 -1.01 0.00 0.00 37.83 36.09 2jj4 s LYS 90 CO 0.00 0.12 -0.14 0.42 0.51 0.00 0.00 175.35 176.26 2jj4 s ILE 91 N -2.51 3.07 -0.08 2.17 1.01 -1.26 -1.29 121.20 122.32 2jj4 s ILE 91 Ca 0.09 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 60.10 2jj4 s ILE 91 Cb -0.03 -2.24 -0.00 0.00 0.01 0.00 0.00 42.46 40.20 2jj4 s ILE 91 CO 0.01 0.56 -0.21 -0.36 0.00 0.00 0.00 174.94 174.94 2jj4 s PHE 92 N -0.23 2.21 -0.15 3.97 0.40 0.99 -4.97 117.98 120.21 2jj4 s PHE 92 Ca 0.01 -0.80 -0.01 0.00 -0.60 0.00 0.00 56.93 55.53 2jj4 s PHE 92 Cb -0.13 -1.49 -0.01 0.00 0.51 0.00 0.00 43.02 41.90 2jj4 s PHE 92 CO 0.03 -0.31 -0.12 0.08 0.70 0.00 0.00 175.22 175.60 2jj4 s VAL 93 N 0.23 3.00 0.09 -0.44 1.01 -1.26 -0.15 120.40 122.88 2jj4 s VAL 93 Ca -0.12 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.21 2jj4 s VAL 93 Cb -0.16 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2jj4 s VAL 93 CO 0.06 0.51 -0.08 -0.94 0.00 0.00 0.00 175.10 174.65 2jj4 s SER 94 N 0.65 1.20 0.41 3.32 1.04 -0.69 -4.96 113.70 114.67 2jj4 s SER 94 Ca -0.07 -0.89 -0.24 0.00 0.48 0.00 0.00 55.95 55.24 2jj4 s SER 94 Cb -0.15 0.06 -0.09 0.00 0.10 0.00 0.00 66.02 65.94 2jj4 s SER 94 CO 0.02 -0.37 1.06 -2.16 0.98 0.00 0.00 173.24 172.77 2jj4 s PRO 95 N -3.22 4.10 -0.07 4.02 0.04 -1.26 0.12 135.00 138.72 2jj4 s PRO 95 Ca 0.07 1.53 0.02 0.00 0.04 0.00 0.00 61.00 62.66 2jj4 s PRO 95 Cb 0.01 -2.49 0.01 0.00 0.04 0.00 0.00 34.50 32.07 2jj4 s PRO 95 CO -0.03 -0.20 -0.14 0.08 0.04 0.00 0.00 177.00 176.76 2jj4 s VAL 96 N -1.67 1.26 -0.11 -0.36 1.01 0.44 -4.70 120.40 116.27 2jj4 s VAL 96 Ca 0.59 -0.55 -0.19 0.00 0.00 0.00 0.00 61.98 61.84 2jj4 s VAL 96 Cb -0.22 -1.15 -0.27 0.00 0.00 0.00 0.00 36.38 34.74 2jj4 s VAL 96 CO 0.28 0.39 0.58 0.44 0.00 0.00 0.00 175.10 176.79 2jj4 h ASP 97 N 7.02 0.31 -4.49 3.32 3.32 -1.95 -3.30 116.42 120.64 2jj4 h ASP 97 Ca -0.29 -0.84 -0.15 0.00 0.02 0.00 0.00 57.03 55.76 2jj4 h ASP 97 Cb 1.19 -0.10 -0.23 0.00 0.22 0.00 0.00 39.33 40.41 2jj4 h ASP 97 CO 0.47 1.51 -0.45 -1.58 -1.72 0.00 0.00 179.24 177.47 2jj4 s GLN 98 N -2.43 0.41 -0.22 3.56 0.74 -1.26 -4.95 119.66 115.50 2jj4 s GLN 98 Ca -0.20 -0.08 -0.01 0.00 0.05 0.00 0.00 55.36 55.11 2jj4 s GLN 98 Cb 0.03 0.18 0.07 0.00 1.10 0.00 0.00 33.01 34.39 2jj4 s GLN 98 CO 0.75 -0.09 0.02 0.99 -0.55 0.00 0.00 175.29 176.40 2jj4 s THR 99 N -0.76 0.88 -0.25 -0.34 2.01 -1.24 -4.96 115.64 110.98 2jj4 s THR 99 Ca -0.08 -0.87 -0.05 0.00 0.31 0.00 0.00 61.69 60.99 2jj4 s THR 99 Cb -0.05 -1.35 0.00 0.00 0.01 0.00 0.00 72.50 71.11 2jj4 s THR 99 CO 0.01 -0.24 0.01 -0.63 -0.69 0.00 0.00 174.62 173.08 2jj4 s ILE 100 N 1.68 3.55 0.20 1.82 -1.09 -1.26 -1.74 121.20 124.37 2jj4 s ILE 100 Ca -0.01 -0.65 -0.30 0.00 -2.23 0.00 0.00 60.65 57.46 2jj4 s ILE 100 Cb -0.18 -2.74 -0.09 0.00 -1.58 0.00 0.00 42.46 37.88 2jj4 s ILE 100 CO -0.10 0.25 1.30 -0.13 -1.23 0.00 0.00 174.94 175.03 2jj4 s ARG 101 N 1.46 4.40 0.00 2.79 0.52 -0.92 -4.95 118.95 122.25 2jj4 s ARG 101 Ca 0.04 2.04 0.05 0.00 -0.52 0.00 0.00 55.73 57.34 2jj4 s ARG 101 Cb -0.16 -3.19 -0.24 0.00 0.52 0.00 0.00 34.95 31.87 2jj4 s ARG 101 CO -0.01 -0.23 0.84 0.82 0.02 0.00 0.00 175.30 176.74 2jj4 h ILE 102 N 3.71 1.13 -0.08 1.52 2.04 -1.94 -1.95 117.51 121.94 2jj4 h ILE 102 Ca -0.45 -2.87 -0.11 0.00 1.00 0.00 0.00 64.86 62.43 2jj4 h ILE 102 Cb 1.21 2.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.92 2jj4 h ILE 102 CO 0.76 0.74 -0.46 0.08 0.00 0.00 0.00 178.15 179.27 2jj4 h ARG 103 N 0.03 0.19 0.00 2.37 0.11 -2.01 -3.39 114.38 111.68 2jj4 h ARG 103 Ca -0.22 -0.10 0.00 0.00 0.10 0.00 0.00 59.98 59.76 2jj4 h ARG 103 Cb 1.96 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.05 2jj4 h ARG 103 CO 0.12 0.62 -0.31 0.25 0.10 0.00 0.00 179.97 180.75 2jj4 n THR 104 N -3.98 0.74 0.00 0.08 -2.24 -1.26 -5.06 114.28 102.56 2jj4 n THR 104 Ca -0.02 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 2jj4 n THR 104 Cb 0.51 -1.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 2jj4 n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jj4 n GLY 105 N 2.34 -0.23 3.58 3.38 0.00 -0.73 -5.06 105.19 108.48 2jj4 n GLY 105 Ca -0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.52 2jj4 n GLY 105 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jj4 n GLU 106 N 0.00 1.90 -3.79 1.61 2.13 -1.25 -4.63 120.64 116.61 2jj4 n GLU 106 Ca 0.00 0.58 -0.37 0.00 0.66 0.00 0.00 57.16 58.03 2jj4 n GLU 106 Cb 0.00 -2.95 -0.06 0.00 0.27 0.00 0.00 31.44 28.70 2jj4 n GLU 106 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2jj4 s LYS 107 N 5.77 3.62 0.00 5.31 1.02 -1.25 -2.17 119.74 132.04 2jj4 s LYS 107 Ca 1.00 -0.04 0.04 0.00 0.02 0.00 0.00 55.97 57.00 2jj4 s LYS 107 Cb -0.52 -3.23 0.03 0.00 -0.52 0.00 0.00 37.83 33.60 2jj4 s LYS 107 CO 0.42 0.70 0.64 0.09 -0.92 0.00 0.00 175.35 176.27