#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 0.64 -0.34 2.12 -0.14 -0.68 -0.15 119.74 121.19 2jj4 s LYS 2 Ca 0.00 -0.76 -0.05 0.00 -1.36 0.00 0.00 55.97 53.80 2jj4 s LYS 2 Cb 0.00 -0.51 0.05 0.00 -1.68 0.00 0.00 37.83 35.69 2jj4 s LYS 2 CO 0.00 0.11 0.10 0.21 -0.76 0.00 0.00 175.35 175.01 2jj4 s LYS 3 N -1.45 2.50 -0.11 1.68 2.20 0.29 -0.31 119.74 124.53 2jj4 s LYS 3 Ca -0.06 -1.29 -0.25 0.00 -0.36 0.00 0.00 55.97 54.01 2jj4 s LYS 3 Cb -0.09 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.79 2jj4 s LYS 3 CO 0.01 -0.72 0.79 0.42 -0.36 0.00 0.00 175.35 175.49 2jj4 s ILE 4 N 1.33 4.95 -0.18 5.43 1.01 -0.27 -1.72 121.20 131.76 2jj4 s ILE 4 Ca -0.01 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.23 2jj4 s ILE 4 Cb -0.20 -4.11 0.01 0.00 0.01 0.00 0.00 42.46 38.17 2jj4 s ILE 4 CO 0.01 0.13 -0.17 -1.61 0.00 0.00 0.00 174.94 173.30 2jj4 s GLU 5 N 1.50 3.07 -0.25 2.79 2.02 0.89 -1.94 118.70 126.78 2jj4 s GLU 5 Ca 0.39 -0.79 -0.01 0.00 0.02 0.00 0.00 54.97 54.58 2jj4 s GLU 5 Cb -0.17 -2.64 0.03 0.00 0.10 0.00 0.00 34.13 31.45 2jj4 s GLU 5 CO 0.16 -0.18 -0.07 0.00 0.02 0.00 0.00 175.26 175.19 2jj4 s ALA 6 N 1.26 2.68 -0.49 5.21 0.00 0.09 -0.15 121.76 130.36 2jj4 s ALA 6 Ca 0.04 -1.47 -0.23 0.00 0.00 0.00 0.00 51.96 50.30 2jj4 s ALA 6 Cb -0.14 -1.66 0.03 0.00 0.00 0.00 0.00 23.12 21.36 2jj4 s ALA 6 CO -0.10 -0.81 0.79 0.42 0.00 0.00 0.00 175.76 176.06 2jj4 s ILE 7 N 1.31 4.62 0.19 0.00 -1.09 -0.48 -0.30 121.20 125.45 2jj4 s ILE 7 Ca -0.00 0.22 0.09 0.00 -2.23 0.00 0.00 60.65 58.73 2jj4 s ILE 7 Cb -0.17 -4.37 -0.04 0.00 -1.58 0.00 0.00 42.46 36.30 2jj4 s ILE 7 CO -0.05 -0.83 -0.18 0.27 -1.23 0.00 0.00 174.94 172.92 2jj4 s ILE 8 N 3.34 1.89 0.01 2.92 -4.36 0.89 -2.83 121.20 123.06 2jj4 s ILE 8 Ca 0.27 -2.05 -0.35 0.00 -0.26 0.00 0.00 60.65 58.27 2jj4 s ILE 8 Cb -0.13 -1.95 -0.13 0.00 1.25 0.00 0.00 42.46 41.49 2jj4 s ILE 8 CO 0.20 -0.39 1.70 0.54 0.24 0.00 0.00 174.94 177.23 2jj4 n ARG 9 N 0.03 1.99 -0.34 0.37 1.74 -1.25 -0.86 116.66 118.34 2jj4 n ARG 9 Ca -0.11 0.73 0.11 0.00 -0.77 0.00 0.00 57.85 57.81 2jj4 n ARG 9 Cb 0.58 -2.51 0.23 0.00 -1.02 0.00 0.00 32.46 29.74 2jj4 n ARG 9 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2jj4 n PRO 10 N 4.86 -0.08 0.19 5.56 -0.02 -1.26 -1.15 135.00 143.11 2jj4 n PRO 10 Ca 0.20 1.47 0.04 0.00 -2.02 0.00 0.00 63.50 63.20 2jj4 n PRO 10 Cb 0.27 -2.29 0.39 0.00 -0.02 0.00 0.00 33.50 31.85 2jj4 n PRO 10 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2jj4 h PHE 11 N 0.00 0.00 0.00 6.00 -5.15 -1.98 -3.19 116.94 112.62 2jj4 h PHE 11 Ca 0.54 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 58.27 2jj4 h PHE 11 Cb 1.01 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.18 2jj4 h PHE 11 CO -0.59 0.36 -0.20 0.87 -2.00 0.00 0.00 178.31 176.75 2jj4 h LYS 12 N 0.00 0.00 -0.72 6.09 1.79 -1.51 -3.36 116.57 118.87 2jj4 h LYS 12 Ca -0.00 0.00 0.18 0.00 -2.18 0.00 0.00 60.65 58.65 2jj4 h LYS 12 Cb 0.71 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.22 2jj4 h LYS 12 CO 0.05 0.20 -0.03 -0.11 -1.08 0.00 0.00 179.45 178.47 2jj4 n LEU 13 N -3.50 -0.13 -0.08 2.94 0.00 -1.21 0.09 117.00 115.11 2jj4 n LEU 13 Ca -0.01 1.22 -0.10 0.00 0.00 0.00 0.00 56.01 57.13 2jj4 n LEU 13 Cb 0.36 -0.43 -0.03 0.00 0.00 0.00 0.00 43.42 43.33 2jj4 n LEU 13 CO 0.32 -1.22 0.91 0.44 0.00 0.00 0.00 177.39 177.84 2jj4 h ASP 14 N 0.00 0.37 -0.89 1.96 5.19 -1.87 0.33 116.42 121.50 2jj4 h ASP 14 Ca 0.41 -0.12 -0.00 0.00 -0.62 0.00 0.00 57.03 56.69 2jj4 h ASP 14 Cb 0.80 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.17 2jj4 h ASP 14 CO -0.69 0.39 0.54 -0.08 -3.12 0.00 0.00 179.24 176.27 2jj4 h GLU 15 N 0.32 1.21 0.06 3.56 4.81 -0.62 -0.26 114.58 123.66 2jj4 h GLU 15 Ca 0.10 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2jj4 h GLU 15 Cb 0.12 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.25 2jj4 h GLU 15 CO -0.01 0.84 -0.03 0.28 -0.73 0.00 0.00 179.01 179.36 2jj4 h VAL 16 N 1.23 1.22 -0.06 0.32 2.07 -1.31 -2.17 116.25 117.54 2jj4 h VAL 16 Ca 0.32 -1.08 0.04 0.00 0.82 0.00 0.00 66.70 66.80 2jj4 h VAL 16 Cb -0.05 1.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 2jj4 h VAL 16 CO -0.06 0.26 -0.39 0.50 0.02 0.00 0.00 177.57 177.91 2jj4 h LYS 17 N -0.58 -0.49 -0.76 1.57 3.64 -0.71 -0.17 116.57 119.08 2jj4 h LYS 17 Ca -0.01 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 2jj4 h LYS 17 Cb 0.50 0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 32.33 2jj4 h LYS 17 CO 0.01 -0.32 -0.51 0.82 -2.27 0.00 0.00 179.45 177.18 2jj4 h ILE 18 N -0.50 0.00 -0.90 2.00 2.04 -1.13 -0.87 117.51 118.15 2jj4 h ILE 18 Ca 0.07 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.05 2jj4 h ILE 18 Cb 0.61 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.62 2jj4 h ILE 18 CO -0.34 0.00 0.58 0.00 0.00 0.00 0.00 178.15 178.39 2jj4 h ALA 19 N 0.19 1.72 -0.06 1.87 0.00 -0.58 -0.52 119.26 121.89 2jj4 h ALA 19 Ca 0.12 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.83 2jj4 h ALA 19 Cb 0.39 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2jj4 h ALA 19 CO -0.75 0.05 -0.79 -0.07 0.00 0.00 0.00 179.25 177.69 2jj4 h LEU 20 N 0.79 0.81 -0.78 0.00 4.07 -0.23 -0.94 115.31 119.03 2jj4 h LEU 20 Ca 0.44 -0.69 -0.06 0.00 0.08 0.00 0.00 57.88 57.65 2jj4 h LEU 20 Cb 0.58 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 42.05 2jj4 h LEU 20 CO -0.20 1.38 0.21 0.58 -1.08 0.00 0.00 178.44 179.33 2jj4 h VAL 21 N 0.30 1.26 -0.78 1.22 2.07 -0.55 0.17 116.25 119.93 2jj4 h VAL 21 Ca -0.08 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.47 2jj4 h VAL 21 Cb 1.45 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 2jj4 h VAL 21 CO 0.16 0.36 0.29 0.78 0.02 0.00 0.00 177.57 179.17 2jj4 h ASN 22 N 1.08 1.10 0.30 0.57 2.35 -1.12 0.19 115.58 120.05 2jj4 h ASN 22 Ca 0.23 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2jj4 h ASN 22 Cb 0.32 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.41 2jj4 h ASN 22 CO -0.00 0.99 0.00 0.00 -1.65 0.00 0.00 177.43 176.77 2jj4 n ALA 23 N -2.44 2.07 -1.58 -0.83 0.00 -0.36 -4.92 120.51 112.45 2jj4 n ALA 23 Ca 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 2jj4 n ALA 23 Cb 0.20 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 0.35 0.62 3.47 0.00 0.00 0.41 -5.04 105.19 105.01 2jj4 n GLY 24 Ca 0.10 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 3.35 -0.26 -0.61 -1.09 -0.19 -4.97 121.20 114.41 2jj4 s ILE 25 Ca 0.02 -0.59 -0.10 0.00 -2.23 0.00 0.00 60.65 57.75 2jj4 s ILE 25 Cb -0.00 -2.38 -0.15 0.00 -1.58 0.00 0.00 42.46 38.35 2jj4 s ILE 25 CO 0.04 0.56 -0.24 0.55 -1.23 0.00 0.00 174.94 174.62 2jj4 n VAL 26 N 2.85 1.53 -4.89 2.92 3.14 -1.26 -4.53 118.33 118.10 2jj4 n VAL 26 Ca -0.18 -0.42 -0.33 0.00 -2.96 0.00 0.00 64.34 60.46 2jj4 n VAL 26 Cb 0.53 -1.76 -0.13 0.00 -1.06 0.00 0.00 33.84 31.41 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 -5.73 1.53 -0.20 7.55 0.00 -1.26 -5.12 107.32 104.08 2jj4 s GLY 27 Ca -0.36 -0.97 -0.27 0.00 0.00 0.00 0.00 44.72 43.11 2jj4 s GLY 27 CO 0.54 -0.73 0.81 -0.29 0.00 0.00 0.00 173.10 173.43 2jj4 s MET 28 N -0.65 0.80 -0.01 2.90 1.75 -1.26 -4.43 119.30 118.39 2jj4 s MET 28 Ca 0.10 0.64 0.00 0.00 -1.25 0.00 0.00 55.69 55.18 2jj4 s MET 28 Cb -0.11 0.38 0.01 0.00 2.84 0.00 0.00 34.83 37.95 2jj4 s MET 28 CO 0.01 -0.16 -0.01 0.95 -0.65 0.00 0.00 175.02 175.16 2jj4 s THR 29 N -0.21 0.12 0.03 10.11 -4.23 -0.40 -5.00 115.64 116.05 2jj4 s THR 29 Ca -0.02 -0.03 0.07 0.00 -1.18 0.00 0.00 61.69 60.53 2jj4 s THR 29 Cb -0.03 -0.14 -0.03 0.00 1.34 0.00 0.00 72.50 73.64 2jj4 s THR 29 CO 0.02 0.06 -0.19 0.68 -0.54 0.00 0.00 174.62 174.65 2jj4 s VAL 30 N 0.19 2.71 0.05 2.29 -7.23 -1.26 -0.05 120.40 117.10 2jj4 s VAL 30 Ca -0.02 -1.15 0.02 0.00 -1.81 0.00 0.00 61.98 59.02 2jj4 s VAL 30 Cb -0.03 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.76 2jj4 s VAL 30 CO -0.01 0.38 -0.08 -0.94 -0.31 0.00 0.00 175.10 174.14 2jj4 s SER 31 N -1.30 0.92 -0.12 4.85 1.04 -0.20 -5.02 113.70 113.88 2jj4 s SER 31 Ca 0.14 -0.59 -0.23 0.00 0.48 0.00 0.00 55.95 55.75 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 0.04 -0.22 0.71 -1.61 0.98 0.00 0.00 173.24 173.14 2jj4 s GLU 32 N -1.77 4.35 0.02 4.02 2.02 -1.26 -1.67 118.70 124.40 2jj4 s GLU 32 Ca -0.08 0.84 0.01 0.00 0.02 0.00 0.00 54.97 55.77 2jj4 s GLU 32 Cb -0.09 -3.51 -0.02 0.00 0.10 0.00 0.00 34.13 30.62 2jj4 s GLU 32 CO 0.00 -0.10 -0.06 0.08 0.02 0.00 0.00 175.26 175.21 2jj4 s VAL 33 N 1.38 0.39 -0.07 2.63 1.01 -0.97 -4.92 120.40 119.84 2jj4 s VAL 33 Ca 0.35 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 2jj4 s VAL 33 Cb -0.17 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 2jj4 s VAL 33 CO 0.15 -0.24 0.10 -0.13 0.00 0.00 0.00 175.10 174.98 2jj4 s ARG 34 N -1.03 3.25 0.35 2.72 0.52 -1.26 0.14 118.95 123.64 2jj4 s ARG 34 Ca -0.07 -0.30 0.01 0.00 -0.52 0.00 0.00 55.73 54.85 2jj4 s ARG 34 Cb -0.07 -3.01 -0.00 0.00 0.52 0.00 0.00 34.95 32.39 2jj4 s ARG 34 CO -0.00 0.72 0.44 0.20 0.02 0.00 0.00 175.30 176.68 2jj4 s GLY 35 N -1.26 1.80 -0.29 -3.53 0.00 0.11 -4.81 107.32 99.33 2jj4 s GLY 35 Ca 0.18 -1.71 -0.25 0.00 0.00 0.00 0.00 44.72 42.94 2jj4 s GLY 35 CO 0.08 -1.13 1.16 -0.11 0.00 0.00 0.00 173.10 173.09 2jj4 s PHE 36 N -3.03 -0.34 -0.47 1.90 -0.71 -1.26 -0.79 117.98 113.28 2jj4 s PHE 36 Ca 0.33 0.83 0.03 0.00 -1.04 0.00 0.00 56.93 57.08 2jj4 s PHE 36 Cb -0.00 0.40 0.15 0.00 -1.21 0.00 0.00 43.02 42.36 2jj4 s PHE 36 CO 0.24 -0.16 0.29 0.20 -1.34 0.00 0.00 175.22 174.44 2jj4 s GLY 37 N 0.18 1.72 -0.85 1.99 0.00 -1.26 -5.09 107.32 104.01 2jj4 s GLY 37 Ca 0.04 -2.70 -0.28 0.00 0.00 0.00 0.00 44.72 41.78 2jj4 s GLY 37 CO -0.09 1.62 2.59 -2.13 0.00 0.00 0.00 173.10 175.08 2jj4 n ARG 38 N 3.22 0.32 -2.50 2.90 0.63 -1.26 -4.84 116.66 115.13 2jj4 n ARG 38 Ca 0.14 -0.02 -0.40 0.00 -0.92 0.00 0.00 57.85 56.65 2jj4 n ARG 38 Cb 0.37 -2.10 -0.02 0.00 0.45 0.00 0.00 32.46 31.17 2jj4 n ARG 38 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 2jj4 s GLN 39 N 8.71 3.63 -1.42 -0.14 -2.07 -1.26 -4.49 119.66 122.61 2jj4 s GLN 39 Ca 1.24 -1.52 -0.05 0.00 -1.82 0.00 0.00 55.36 53.20 2jj4 s GLN 39 Cb -0.90 -5.42 0.00 0.00 -1.09 0.00 0.00 33.01 25.60 2jj4 s GLN 39 CO 0.42 -2.46 0.31 1.63 -1.32 0.00 0.00 175.29 173.86 2jj4 n LYS 40 N 8.59 -1.87 0.00 9.60 4.76 -1.26 -0.30 118.16 137.68 2jj4 n LYS 40 Ca 0.43 0.25 0.00 0.00 -2.87 0.00 0.00 58.31 56.11 2jj4 n LYS 40 Cb 0.48 -3.90 0.00 0.00 -1.84 0.00 0.00 35.03 29.77 2jj4 n LYS 40 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jj4 n GLY 41 N -2.22 2.94 3.80 0.72 0.00 -1.26 -5.02 105.19 104.16 2jj4 n GLY 41 Ca -0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 2jj4 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jj4 s GLN 42 N -0.03 2.09 0.02 1.61 1.11 0.59 -5.04 119.66 120.01 2jj4 s GLN 42 Ca 0.00 0.66 0.01 0.00 0.01 0.00 0.00 55.36 56.04 2jj4 s GLN 42 Cb 0.00 -1.92 -0.04 0.00 -1.01 0.00 0.00 33.01 30.04 2jj4 s GLN 42 CO 0.00 -1.62 0.05 0.95 0.01 0.00 0.00 175.29 174.68 2jj4 s THR 43 N -3.14 4.50 -0.08 -0.19 -4.23 -1.26 -4.26 115.64 106.97 2jj4 s THR 43 Ca 0.61 -0.55 -0.02 0.00 -1.18 0.00 0.00 61.69 60.54 2jj4 s THR 43 Cb -0.14 -3.06 -0.03 0.00 1.34 0.00 0.00 72.50 70.60 2jj4 s THR 43 CO 0.54 0.31 0.03 -0.70 -0.54 0.00 0.00 174.62 174.26 2jj4 s GLU 44 N -1.82 3.04 0.18 3.99 2.12 0.26 -4.86 118.70 121.61 2jj4 s GLU 44 Ca 0.23 -0.39 -0.11 0.00 0.36 0.00 0.00 54.97 55.06 2jj4 s GLU 44 Cb -0.12 -2.85 -0.07 0.00 0.26 0.00 0.00 34.13 31.35 2jj4 s GLU 44 CO 0.14 0.70 0.53 1.03 -0.54 0.00 0.00 175.26 177.12 2jj4 s ARG 45 N -1.05 3.86 -0.30 4.30 0.52 -1.26 -0.74 118.95 124.28 2jj4 s ARG 45 Ca 0.15 0.33 -0.07 0.00 -0.52 0.00 0.00 55.73 55.62 2jj4 s ARG 45 Cb -0.11 -2.80 0.15 0.00 0.52 0.00 0.00 34.95 32.70 2jj4 s ARG 45 CO 0.04 0.41 0.63 -0.47 0.02 0.00 0.00 175.30 175.94 2jj4 s TYR 46 N -1.63 -1.42 -1.34 -0.53 5.04 -0.67 -4.94 117.35 111.86 2jj4 s TYR 46 Ca 0.42 2.15 -0.12 0.00 -2.44 0.00 0.00 57.07 57.08 2jj4 s TYR 46 Cb -0.13 0.73 0.01 0.00 0.35 0.00 0.00 41.96 42.92 2jj4 s TYR 46 CO 0.20 -0.73 0.47 0.54 -1.34 0.00 0.00 175.55 174.69 2jj4 n ARG 47 N 5.44 -1.75 0.00 4.97 1.74 -1.26 -2.24 116.66 123.56 2jj4 n ARG 47 Ca -0.09 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 2jj4 n ARG 47 Cb 0.50 -3.85 0.00 0.00 -1.02 0.00 0.00 32.46 28.09 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 -2.06 2.97 3.80 -0.13 0.00 -1.26 -5.00 105.19 103.50 2jj4 n GLY 48 Ca -0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.67 5.76 -0.05 1.61 0.01 -0.95 -5.09 113.70 113.32 2jj4 s SER 49 Ca 0.00 0.14 -0.23 0.00 1.31 0.00 0.00 55.95 57.17 2jj4 s SER 49 Cb 0.00 -1.66 -0.04 0.00 0.21 0.00 0.00 66.02 64.53 2jj4 s SER 49 CO 0.00 0.24 0.70 -1.61 0.41 0.00 0.00 173.24 172.98 2jj4 s GLU 50 N -1.94 4.43 0.04 12.44 2.02 -1.26 -1.68 118.70 132.76 2jj4 s GLU 50 Ca 0.25 0.88 0.06 0.00 0.02 0.00 0.00 54.97 56.18 2jj4 s GLU 50 Cb -0.12 -3.43 -0.02 0.00 0.10 0.00 0.00 34.13 30.66 2jj4 s GLU 50 CO 0.17 0.12 -0.16 0.71 0.02 0.00 0.00 175.26 176.11 2jj4 s TYR 51 N 0.62 1.42 -0.06 1.61 1.51 0.08 -4.95 117.35 117.57 2jj4 s TYR 51 Ca 0.37 -0.35 -0.07 0.00 -1.01 0.00 0.00 57.07 56.00 2jj4 s TYR 51 Cb -0.18 -0.84 -0.02 0.00 -0.11 0.00 0.00 41.96 40.80 2jj4 s TYR 51 CO 0.18 0.05 -0.15 0.25 -1.11 0.00 0.00 175.55 174.78 2jj4 n THR 52 N 1.93 0.79 0.01 -0.71 -2.24 -1.26 -0.57 114.28 112.22 2jj4 n THR 52 Ca -0.18 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2jj4 n THR 52 Cb 0.54 -1.81 -0.00 0.00 -2.10 0.00 0.00 70.33 66.96 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 -3.45 0.00 -2.00 2.28 3.14 -1.26 -4.75 118.33 112.30 2jj4 n VAL 53 Ca -0.06 -0.37 -0.33 0.00 -2.96 0.00 0.00 64.34 60.62 2jj4 n VAL 53 Cb 0.22 0.88 0.02 0.00 -1.06 0.00 0.00 33.84 33.89 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 -1.27 3.26 0.19 1.45 1.03 -1.26 -4.97 118.70 117.12 2jj4 s GLU 54 Ca 0.00 1.20 -0.30 0.00 0.03 0.00 0.00 54.97 55.90 2jj4 s GLU 54 Cb 0.00 -2.02 -0.08 0.00 -0.80 0.00 0.00 34.13 31.23 2jj4 s GLU 54 CO 0.01 -0.86 1.10 -0.06 -1.33 0.00 0.00 175.26 174.12 2jj4 s PHE 55 N -2.48 3.59 0.19 4.83 0.40 -1.26 -4.75 117.98 118.50 2jj4 s PHE 55 Ca 0.63 1.61 0.11 0.00 -0.60 0.00 0.00 56.93 58.69 2jj4 s PHE 55 Cb -0.16 -3.28 -0.04 0.00 0.51 0.00 0.00 43.02 40.05 2jj4 s PHE 55 CO 0.38 -0.60 -0.23 -0.51 0.70 0.00 0.00 175.22 174.96 2jj4 s LEU 56 N -0.52 2.44 0.04 -0.37 1.43 0.03 -4.81 118.68 116.91 2jj4 s LEU 56 Ca 0.49 -0.87 -0.31 0.00 -1.03 0.00 0.00 54.13 52.41 2jj4 s LEU 56 Cb -0.30 -1.14 -0.07 0.00 0.03 0.00 0.00 46.19 44.72 2jj4 s LEU 56 CO 0.36 0.11 1.43 -1.58 0.23 0.00 0.00 176.35 176.90 2jj4 s GLN 57 N -2.70 4.28 0.00 1.70 2.00 -1.26 0.03 119.66 123.71 2jj4 s GLN 57 Ca 0.21 2.05 0.00 0.00 -2.00 0.00 0.00 55.36 55.61 2jj4 s GLN 57 Cb -0.08 -3.49 0.00 0.00 0.80 0.00 0.00 33.01 30.25 2jj4 s GLN 57 CO 0.10 -0.56 0.00 1.63 -0.50 0.00 0.00 175.29 175.96 2jj4 n LYS 58 N 5.01 0.11 -3.65 1.67 4.76 0.38 -4.60 118.16 121.85 2jj4 n LYS 58 Ca 0.13 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.35 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 0.21 -0.02 -0.35 1.43 -0.04 -2.29 118.68 117.61 2jj4 s LEU 59 Ca 0.00 -0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 52.63 2jj4 s LEU 59 Cb 0.00 -0.16 -0.03 0.00 0.03 0.00 0.00 46.19 46.03 2jj4 s LEU 59 CO 0.00 -0.29 0.97 -0.75 0.23 0.00 0.00 176.35 176.51 2jj4 s LYS 60 N 2.16 4.53 -0.16 1.70 2.20 -0.67 -0.08 119.74 129.42 2jj4 s LYS 60 Ca 0.04 1.39 0.00 0.00 -0.36 0.00 0.00 55.97 57.04 2jj4 s LYS 60 Cb -0.14 -3.48 0.03 0.00 -1.51 0.00 0.00 37.83 32.74 2jj4 s LYS 60 CO -0.05 -0.10 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.56 2jj4 s LEU 61 N 1.20 1.76 -0.21 5.43 2.96 0.59 -1.03 118.68 129.38 2jj4 s LEU 61 Ca 0.51 -0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 53.80 2jj4 s LEU 61 Cb -0.20 -1.11 0.00 0.00 0.50 0.00 0.00 46.19 45.38 2jj4 s LEU 61 CO 0.26 -0.11 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.47 2jj4 s GLU 62 N 1.52 3.25 0.09 1.98 2.02 0.93 -0.74 118.70 127.75 2jj4 s GLU 62 Ca 0.03 -0.69 0.07 0.00 0.02 0.00 0.00 54.97 54.39 2jj4 s GLU 62 Cb -0.14 -2.86 -0.03 0.00 0.10 0.00 0.00 34.13 31.20 2jj4 s GLU 62 CO -0.09 -0.20 -0.18 0.96 0.02 0.00 0.00 175.26 175.77 2jj4 s ILE 63 N 1.41 1.45 -0.16 -1.63 -4.36 -0.82 -1.28 121.20 115.81 2jj4 s ILE 63 Ca 0.05 -1.45 -0.02 0.00 -0.26 0.00 0.00 60.65 58.98 2jj4 s ILE 63 Cb -0.14 -1.35 -0.02 0.00 1.25 0.00 0.00 42.46 42.21 2jj4 s ILE 63 CO -0.06 -0.14 -0.09 -0.69 0.24 0.00 0.00 174.94 174.20 2jj4 s VAL 64 N -1.24 3.31 0.01 8.37 1.01 -1.26 -1.11 120.40 129.49 2jj4 s VAL 64 Ca 0.03 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.49 2jj4 s VAL 64 Cb -0.10 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 2jj4 s VAL 64 CO 0.03 0.50 -0.10 -0.69 0.00 0.00 0.00 175.10 174.84 2jj4 s VAL 65 N 0.61 0.78 0.29 2.92 1.01 0.58 -4.95 120.40 121.64 2jj4 s VAL 65 Ca -0.05 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 2jj4 s VAL 65 Cb -0.15 -0.70 -0.11 0.00 0.00 0.00 0.00 36.38 35.42 2jj4 s VAL 65 CO 0.03 0.08 1.51 -1.61 0.00 0.00 0.00 175.10 175.10 2jj4 s GLU 66 N -0.62 4.18 0.36 2.72 0.41 -1.26 -1.68 118.70 122.81 2jj4 s GLU 66 Ca 0.01 2.47 0.18 0.00 -0.41 0.00 0.00 54.97 57.22 2jj4 s GLU 66 Cb -0.05 -3.05 1.24 0.00 -1.78 0.00 0.00 34.13 30.49 2jj4 s GLU 66 CO 0.00 -0.52 1.61 -0.44 -0.49 0.00 0.00 175.26 175.42 2jj4 h ASP 67 N 4.55 0.40 0.62 -0.19 3.32 -1.94 0.20 116.42 123.38 2jj4 h ASP 67 Ca -0.47 0.23 -0.09 0.00 0.02 0.00 0.00 57.03 56.72 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 0.76 -0.31 -0.44 0.00 -1.72 0.00 0.00 179.24 177.53 2jj4 h ALA 68 N 1.94 1.10 0.00 3.45 0.00 -2.03 -3.20 119.26 120.52 2jj4 h ALA 68 Ca 0.80 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 2jj4 h ALA 68 Cb 2.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 2jj4 h ALA 68 CO -0.70 0.55 -0.24 -0.56 0.00 0.00 0.00 179.25 178.30 2jj4 h GLN 69 N 0.00 0.00 -0.93 0.00 -0.00 -0.96 -3.38 115.11 109.84 2jj4 h GLN 69 Ca -0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.65 58.76 2jj4 h GLN 69 Cb 0.87 0.00 -0.14 0.00 -0.00 0.00 0.00 27.48 28.21 2jj4 h GLN 69 CO 0.06 0.24 -0.48 0.28 -0.00 0.00 0.00 178.83 178.92 2jj4 h VAL 70 N 0.00 0.01 0.13 1.86 2.07 -1.60 -1.01 116.25 117.72 2jj4 h VAL 70 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2jj4 h VAL 70 Cb 1.08 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 2jj4 h VAL 70 CO 0.03 0.00 -0.43 0.44 0.02 0.00 0.00 177.57 177.63 2jj4 h ASP 71 N -0.04 -1.27 1.24 0.57 5.19 -1.83 -2.00 116.42 118.28 2jj4 h ASP 71 Ca 0.25 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.79 2jj4 h ASP 71 Cb 0.52 0.47 0.00 0.00 0.18 0.00 0.00 39.33 40.50 2jj4 h ASP 71 CO -0.92 -0.50 -0.23 0.35 -3.12 0.00 0.00 179.24 174.82 2jj4 n THR 72 N -5.47 0.49 -0.03 0.35 -2.24 -1.10 -2.65 114.28 103.62 2jj4 n THR 72 Ca -0.07 -0.27 -0.17 0.00 -2.27 0.00 0.00 64.05 61.27 2jj4 n THR 72 Cb 0.39 -0.41 -0.07 0.00 -2.10 0.00 0.00 70.33 68.13 2jj4 n THR 72 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 2jj4 h VAL 73 N 0.00 1.30 -0.36 2.28 -1.51 -0.99 -2.09 116.25 114.89 2jj4 h VAL 73 Ca 0.00 -1.89 -0.00 0.00 -1.23 0.00 0.00 66.70 63.58 2jj4 h VAL 73 Cb 0.73 1.99 -0.02 0.00 -2.13 0.00 0.00 31.29 31.87 2jj4 h VAL 73 CO 0.00 0.59 0.21 0.40 -1.23 0.00 0.00 177.57 177.54 2jj4 h ILE 74 N 0.44 1.12 -0.82 7.19 2.04 -1.34 -1.14 117.51 125.00 2jj4 h ILE 74 Ca -0.04 -0.30 0.17 0.00 1.00 0.00 0.00 64.86 65.69 2jj4 h ILE 74 Cb 1.30 0.68 -0.10 0.00 -0.74 0.00 0.00 36.82 37.95 2jj4 h ILE 74 CO 0.14 0.13 0.36 0.44 0.00 0.00 0.00 178.15 179.21 2jj4 h ASP 75 N 0.46 0.35 -0.37 1.72 3.32 -1.49 0.18 116.42 120.59 2jj4 h ASP 75 Ca 0.13 0.12 -0.15 0.00 0.02 0.00 0.00 57.03 57.15 2jj4 h ASP 75 Cb 0.02 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2jj4 h ASP 75 CO -0.02 0.10 -0.33 0.11 -1.72 0.00 0.00 179.24 177.38 2jj4 h LYS 76 N 0.47 0.91 0.67 3.56 1.79 -0.94 -2.65 116.57 120.37 2jj4 h LYS 76 Ca 0.47 -0.44 -0.03 0.00 -2.18 0.00 0.00 60.65 58.47 2jj4 h LYS 76 Cb 0.77 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.42 2jj4 h LYS 76 CO -0.44 1.09 -0.32 0.82 -1.08 0.00 0.00 179.45 179.53 2jj4 h ILE 77 N 0.75 0.00 -0.71 1.86 2.04 -0.43 -2.77 117.51 118.25 2jj4 h ILE 77 Ca 0.08 -0.23 0.15 0.00 1.00 0.00 0.00 64.86 65.85 2jj4 h ILE 77 Cb 0.90 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.88 2jj4 h ILE 77 CO 0.08 0.00 0.20 0.58 0.00 0.00 0.00 178.15 179.01 2jj4 h VAL 78 N -1.12 0.57 -0.29 1.67 2.07 -1.07 0.29 116.25 118.36 2jj4 h VAL 78 Ca -0.09 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.38 2jj4 h VAL 78 Cb 0.69 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 2jj4 h VAL 78 CO 0.15 0.06 -0.05 0.00 0.02 0.00 0.00 177.57 177.75 2jj4 h ALA 79 N 1.57 0.22 -0.12 1.67 0.00 -1.54 -1.92 119.26 119.14 2jj4 h ALA 79 Ca 0.40 0.10 -0.16 0.00 0.00 0.00 0.00 54.91 55.25 2jj4 h ALA 79 Cb 0.64 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2jj4 h ALA 79 CO -0.47 -0.45 -0.59 0.00 0.00 0.00 0.00 179.25 177.75 2jj4 h ALA 80 N 1.28 0.76 -0.02 0.00 0.00 -0.64 -3.32 119.26 117.31 2jj4 h ALA 80 Ca 0.14 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2jj4 h ALA 80 Cb 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2jj4 h ALA 80 CO -0.28 0.71 -0.08 0.00 0.00 0.00 0.00 179.25 179.60 2jj4 n ALA 81 N -2.50 2.68 -2.61 0.00 0.00 0.79 -4.71 120.51 114.17 2jj4 n ALA 81 Ca -0.03 -0.58 -0.38 0.00 0.00 0.00 0.00 53.44 52.45 2jj4 n ALA 81 Cb 0.62 -0.95 -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 -2.10 4.17 -0.01 0.00 3.52 -0.74 -4.80 118.95 119.00 2jj4 s ARG 82 Ca 0.30 0.42 0.08 0.00 -0.13 0.00 0.00 55.73 56.40 2jj4 s ARG 82 Cb 0.20 -3.35 -0.11 0.00 -1.56 0.00 0.00 34.95 30.13 2jj4 s ARG 82 CO 0.36 0.39 0.24 0.25 -0.81 0.00 0.00 175.30 175.73 2jj4 n THR 83 N 2.88 0.00 -0.64 4.11 -2.24 -1.26 -5.00 114.28 112.13 2jj4 n THR 83 Ca -0.10 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2jj4 n THR 83 Cb 0.52 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 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 1.72 1.62 3.87 3.38 0.00 -1.26 -5.01 105.19 109.50 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 -0.03 3.77 -0.31 1.61 0.41 -1.26 -5.00 118.70 117.88 2jj4 s GLU 85 Ca 0.00 0.19 -0.42 0.00 -0.41 0.00 0.00 54.97 54.33 2jj4 s GLU 85 Cb 0.00 -2.93 -0.17 0.00 -1.78 0.00 0.00 34.13 29.25 2jj4 s GLU 85 CO 0.00 0.51 1.68 -0.89 -0.49 0.00 0.00 175.26 176.07 2jj4 n ILE 86 N 0.68 0.21 -0.25 -1.63 5.41 -1.26 -3.00 119.36 119.52 2jj4 n ILE 86 Ca -0.06 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.65 2jj4 n ILE 86 Cb 0.52 -1.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.45 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 4.03 1.39 0.21 7.39 0.00 -1.26 -4.51 105.19 112.43 2jj4 n GLY 87 Ca 0.27 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.29 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 0.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.62 2jj4 h ASP 88 CO 0.00 0.27 0.00 0.61 -3.12 0.00 0.00 179.24 177.00 2jj4 n GLY 89 N 0.35 -0.13 3.13 2.75 0.00 -1.26 -3.90 105.19 106.13 2jj4 n GLY 89 Ca 0.01 -2.28 -0.18 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.80 0.78 -0.11 1.61 1.02 -1.13 -4.99 119.74 116.12 2jj4 s LYS 90 Ca 0.00 -0.81 -0.02 0.00 0.02 0.00 0.00 55.97 55.16 2jj4 s LYS 90 Cb 0.00 -0.75 -0.03 0.00 -0.52 0.00 0.00 37.83 36.53 2jj4 s LYS 90 CO 0.00 0.17 -0.04 0.42 -0.92 0.00 0.00 175.35 174.98 2jj4 s ILE 91 N -1.09 3.91 -0.06 2.17 1.01 -1.26 -1.39 121.20 124.49 2jj4 s ILE 91 Ca -0.02 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.29 2jj4 s ILE 91 Cb -0.09 -2.66 -0.00 0.00 0.01 0.00 0.00 42.46 39.72 2jj4 s ILE 91 CO 0.01 0.55 -0.19 -0.36 0.00 0.00 0.00 174.94 174.96 2jj4 s PHE 92 N -0.30 1.96 -0.14 3.97 0.40 0.79 -4.97 117.98 119.70 2jj4 s PHE 92 Ca 0.05 -0.66 -0.00 0.00 -0.60 0.00 0.00 56.93 55.71 2jj4 s PHE 92 Cb -0.12 -1.33 -0.01 0.00 0.51 0.00 0.00 43.02 42.06 2jj4 s PHE 92 CO 0.02 -0.26 -0.13 0.08 0.70 0.00 0.00 175.22 175.63 2jj4 s VAL 93 N 0.21 2.94 0.10 -0.44 1.01 -1.26 -0.08 120.40 122.88 2jj4 s VAL 93 Ca -0.10 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2jj4 s VAL 93 Cb -0.14 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 2jj4 s VAL 93 CO 0.04 0.52 -0.08 -0.94 0.00 0.00 0.00 175.10 174.64 2jj4 s SER 94 N 0.55 1.25 0.41 3.32 1.04 -0.70 -4.96 113.70 114.62 2jj4 s SER 94 Ca -0.09 -0.93 -0.24 0.00 0.48 0.00 0.00 55.95 55.18 2jj4 s SER 94 Cb -0.16 0.06 -0.09 0.00 0.10 0.00 0.00 66.02 65.94 2jj4 s SER 94 CO 0.04 -0.39 1.06 -2.16 0.98 0.00 0.00 173.24 172.77 2jj4 s PRO 95 N -3.44 4.09 -0.08 4.02 0.04 -1.26 0.11 135.00 138.47 2jj4 s PRO 95 Ca 0.09 1.53 0.02 0.00 0.04 0.00 0.00 61.00 62.69 2jj4 s PRO 95 Cb 0.02 -2.49 0.01 0.00 0.04 0.00 0.00 34.50 32.08 2jj4 s PRO 95 CO -0.03 -0.21 -0.13 0.08 0.04 0.00 0.00 177.00 176.75 2jj4 s VAL 96 N -1.67 1.26 -0.10 -0.36 1.01 0.79 -4.69 120.40 116.65 2jj4 s VAL 96 Ca 0.59 -0.53 -0.21 0.00 0.00 0.00 0.00 61.98 61.84 2jj4 s VAL 96 Cb -0.22 -1.16 -0.28 0.00 0.00 0.00 0.00 36.38 34.72 2jj4 s VAL 96 CO 0.28 0.39 0.69 0.44 0.00 0.00 0.00 175.10 176.90 2jj4 h ASP 97 N 7.18 0.33 -4.54 3.32 3.32 -1.91 -3.31 116.42 120.81 2jj4 h ASP 97 Ca -0.30 -0.88 -0.15 0.00 0.02 0.00 0.00 57.03 55.71 2jj4 h ASP 97 Cb 1.18 -0.11 -0.23 0.00 0.22 0.00 0.00 39.33 40.40 2jj4 h ASP 97 CO 0.47 1.43 -0.46 -1.58 -1.72 0.00 0.00 179.24 177.38 2jj4 s GLN 98 N -2.41 0.42 -0.22 3.56 0.74 -1.26 -4.27 119.66 116.22 2jj4 s GLN 98 Ca -0.18 -0.12 -0.02 0.00 0.05 0.00 0.00 55.36 55.10 2jj4 s GLN 98 Cb 0.02 0.18 0.06 0.00 1.10 0.00 0.00 33.01 34.38 2jj4 s GLN 98 CO 0.77 -0.09 0.02 0.99 -0.55 0.00 0.00 175.29 176.42 2jj4 s THR 99 N -0.82 0.83 -0.21 -0.34 2.01 -1.21 -4.91 115.64 110.98 2jj4 s THR 99 Ca -0.09 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.04 2jj4 s THR 99 Cb -0.05 -1.31 -0.01 0.00 0.01 0.00 0.00 72.50 71.14 2jj4 s THR 99 CO 0.01 -0.24 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.03 2jj4 s ILE 100 N 1.71 3.36 0.05 1.82 -1.09 -1.26 -1.84 121.20 123.95 2jj4 s ILE 100 Ca -0.01 -0.50 -0.30 0.00 -2.23 0.00 0.00 60.65 57.61 2jj4 s ILE 100 Cb -0.18 -2.52 -0.05 0.00 -1.58 0.00 0.00 42.46 38.14 2jj4 s ILE 100 CO -0.09 0.43 1.08 -0.13 -1.23 0.00 0.00 174.94 175.00 2jj4 s ARG 101 N 1.37 4.52 0.03 2.79 0.52 -1.02 -4.97 118.95 122.20 2jj4 s ARG 101 Ca 0.04 1.60 -0.16 0.00 -0.52 0.00 0.00 55.73 56.69 2jj4 s ARG 101 Cb -0.14 -3.39 -0.32 0.00 0.52 0.00 0.00 34.95 31.62 2jj4 s ARG 101 CO -0.03 -0.10 1.04 0.82 0.02 0.00 0.00 175.30 177.05 2jj4 h ILE 102 N 4.50 1.30 -0.85 1.52 2.04 -1.94 -0.88 117.51 123.19 2jj4 h ILE 102 Ca -0.42 -2.56 0.00 0.00 1.00 0.00 0.00 64.86 62.88 2jj4 h ILE 102 Cb 1.22 2.90 -0.04 0.00 -0.74 0.00 0.00 36.82 40.15 2jj4 h ILE 102 CO 0.77 0.77 0.55 0.03 0.00 0.00 0.00 178.15 180.27 2jj4 h ARG 103 N 0.15 1.13 0.00 2.37 3.08 -2.02 -3.38 114.38 115.71 2jj4 h ARG 103 Ca -0.21 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2jj4 h ARG 103 Cb 2.00 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 31.80 2jj4 h ARG 103 CO 0.25 0.76 -0.30 0.25 -1.07 0.00 0.00 179.97 179.86 2jj4 n THR 104 N -4.39 0.61 0.00 2.04 -2.24 -1.25 -5.06 114.28 103.99 2jj4 n THR 104 Ca 0.10 0.29 0.00 0.00 -2.27 0.00 0.00 64.05 62.17 2jj4 n THR 104 Cb 0.04 -1.68 0.00 0.00 -2.10 0.00 0.00 70.33 66.58 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 2.09 -0.13 3.54 3.38 0.00 -0.34 -5.05 105.19 108.68 2jj4 n GLY 105 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 0.90 -2.73 1.61 2.13 -1.25 -4.61 120.64 116.69 2jj4 n GLU 106 Ca 0.00 0.04 -0.27 0.00 0.66 0.00 0.00 57.16 57.59 2jj4 n GLU 106 Cb 0.00 -3.03 -0.00 0.00 0.27 0.00 0.00 31.44 28.68 2jj4 n GLU 106 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2jj4 s LYS 107 N 8.20 3.52 -0.42 5.31 0.00 -1.25 -2.42 119.74 132.68 2jj4 s LYS 107 Ca 1.06 0.12 0.04 0.00 0.00 0.00 0.00 55.97 57.19 2jj4 s LYS 107 Cb -0.42 -2.41 0.17 0.00 0.00 0.00 0.00 37.83 35.17 2jj4 s LYS 107 CO 0.32 -0.17 0.38 0.09 0.00 0.00 0.00 175.35 175.97 2jj4 n ASN 108 N -2.20 -0.74 -0.21 0.03 4.13 -0.77 -4.90 115.26 110.61 2jj4 n ASN 108 Ca -0.00 -2.43 0.15 0.00 1.68 0.00 0.00 54.58 53.98 2jj4 n ASN 108 Cb 0.55 -0.35 0.76 0.00 -1.54 0.00 0.00 39.78 39.20 2jj4 n ASN 108 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54