#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jij s VAL 29 N 0.00 1.27 0.00 2.03 -7.23 -1.26 -4.01 120.40 111.20 2jij s VAL 29 Ca 0.00 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 2jij s VAL 29 Cb 0.00 -2.72 0.00 0.00 0.56 0.00 0.00 36.38 34.22 2jij s VAL 29 CO 0.00 -0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.34 2jij n GLY 30 N -0.66 3.25 0.00 2.32 0.00 -1.26 -4.11 105.19 104.73 2jij n GLY 30 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2jij n GLY 30 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jij n PHE 31 N 14.00 0.00 -1.18 1.61 3.01 -1.26 -0.76 117.46 132.87 2jij n PHE 31 Ca 0.00 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.52 2jij n PHE 31 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 2jij n PHE 31 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jij n GLY 32 N 0.32 -2.05 3.75 1.37 0.00 -1.26 -4.75 105.19 102.57 2jij n GLY 32 Ca 0.00 -1.37 -0.38 0.00 0.00 0.00 0.00 46.02 44.27 2jij n GLY 32 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jij s GLU 33 N -1.22 3.14 0.16 1.61 2.12 -1.26 -4.97 118.70 118.28 2jij s GLU 33 Ca 0.00 2.10 -0.02 0.00 0.36 0.00 0.00 54.97 57.41 2jij s GLU 33 Cb 0.00 -2.19 0.02 0.00 0.26 0.00 0.00 34.13 32.22 2jij s GLU 33 CO 0.00 -1.15 1.40 -0.07 -0.54 0.00 0.00 175.26 174.91 2jij h LEU 34 N 1.37 0.48 -9.36 2.70 3.38 -2.02 -3.44 115.31 108.42 2jij h LEU 34 Ca -0.51 -0.34 -0.57 0.00 0.09 0.00 0.00 57.88 56.56 2jij h LEU 34 Cb 1.30 -0.14 0.19 0.00 0.09 0.00 0.00 40.66 42.09 2jij h LEU 34 CO 0.57 1.09 -0.83 0.29 0.09 0.00 0.00 178.44 179.65 2jij n LYS 35 N -3.81 0.18 -3.49 1.13 5.02 -1.26 -2.55 118.16 113.39 2jij n LYS 35 Ca -0.05 0.08 -0.41 0.00 -2.02 0.00 0.00 58.31 55.92 2jij n LYS 35 Cb 0.74 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 34.26 2jij n LYS 35 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2jij s GLU 36 N -2.09 3.65 0.43 1.97 2.02 -1.26 -5.00 118.70 118.43 2jij s GLU 36 Ca 0.60 -3.12 -0.24 0.00 0.02 0.00 0.00 54.97 52.22 2jij s GLU 36 Cb -0.37 -4.24 -0.10 0.00 0.10 0.00 0.00 34.13 29.51 2jij s GLU 36 CO 0.64 -1.25 0.98 -0.85 0.02 0.00 0.00 175.26 174.80 2jij n GLU 37 N 2.73 1.29 -2.27 1.61 0.28 -1.06 -4.88 120.64 118.34 2jij n GLU 37 Ca 0.21 0.46 -0.42 0.00 -0.16 0.00 0.00 57.16 57.25 2jij n GLU 37 Cb 0.39 -2.02 -0.03 0.00 1.43 0.00 0.00 31.44 31.21 2jij n GLU 37 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 177.13 176.51 2jij s TRP 38 N -1.30 3.12 -0.24 -1.84 -0.00 -1.26 -4.96 118.94 112.46 2jij s TRP 38 Ca 0.64 1.00 0.13 0.00 -0.00 0.00 0.00 56.10 57.87 2jij s TRP 38 Cb -0.55 -3.59 0.46 0.00 -0.00 0.00 0.00 33.47 29.79 2jij s TRP 38 CO 0.56 -2.07 1.17 0.54 -0.00 0.00 0.00 176.95 177.16 2jij n ARG 39 N 4.65 2.47 -1.30 5.86 5.12 -1.26 -5.02 116.66 127.18 2jij n ARG 39 Ca 0.12 -3.66 -0.20 0.00 -1.93 0.00 0.00 57.85 52.18 2jij n ARG 39 Cb 0.44 -1.79 0.14 0.00 -1.16 0.00 0.00 32.46 30.08 2jij n ARG 39 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2jij n GLY 40 N -0.64 -1.31 3.74 -0.13 0.00 -1.26 -5.01 105.19 100.57 2jij n GLY 40 Ca 0.27 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 2jij n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jij s GLU 41 N -4.94 4.57 -0.19 1.61 2.12 -1.26 -4.93 118.70 115.69 2jij s GLU 41 Ca 0.51 1.77 -0.00 0.00 0.36 0.00 0.00 54.97 57.61 2jij s GLU 41 Cb -0.01 -3.26 0.01 0.00 0.26 0.00 0.00 34.13 31.14 2jij s GLU 41 CO 0.35 0.05 -0.17 0.08 -0.54 0.00 0.00 175.26 175.04 2jij s VAL 42 N -0.32 2.34 -0.21 3.70 1.01 -1.26 -1.12 120.40 124.54 2jij s VAL 42 Ca 0.50 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 2jij s VAL 42 Cb -0.31 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 2jij s VAL 42 CO 0.36 0.51 0.02 -0.69 0.00 0.00 0.00 175.10 175.30 2jij s VAL 43 N 1.33 4.03 -0.35 2.92 1.01 0.94 -4.98 120.40 125.30 2jij s VAL 43 Ca 0.05 -0.28 -0.26 0.00 0.00 0.00 0.00 61.98 61.49 2jij s VAL 43 Cb -0.13 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.42 2jij s VAL 43 CO -0.11 0.41 0.92 -2.28 0.00 0.00 0.00 175.10 174.04 2jij s HIS 44 N 1.15 3.11 -0.10 5.22 5.65 -1.26 0.03 115.29 129.08 2jij s HIS 44 Ca 0.03 0.82 0.15 0.00 0.25 0.00 0.00 55.06 56.32 2jij s HIS 44 Cb -0.14 -3.58 -0.23 0.00 -1.18 0.00 0.00 32.58 27.45 2jij s HIS 44 CO 0.02 -0.77 0.48 1.28 -0.65 0.00 0.00 174.74 175.09 2jij n LEU 45 N 6.68 0.56 -3.61 8.88 4.77 0.25 -4.95 117.00 129.58 2jij n LEU 45 Ca 0.07 0.26 -0.08 0.00 -0.03 0.00 0.00 56.01 56.23 2jij n LEU 45 Cb 0.48 0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 41.78 2jij n LEU 45 CO 0.57 0.39 0.89 -0.55 -1.33 0.00 0.00 177.39 177.35 2jij s SER 46 N -5.81 -0.28 -0.21 -1.43 0.15 -1.17 -4.98 113.70 99.97 2jij s SER 46 Ca -0.06 0.37 0.04 0.00 0.70 0.00 0.00 55.95 56.99 2jij s SER 46 Cb 0.08 0.31 -0.21 0.00 -1.71 0.00 0.00 66.02 64.49 2jij s SER 46 CO 0.83 -0.22 0.00 0.79 1.20 0.00 0.00 173.24 175.84 2jij n TRP 47 N 0.97 0.32 -3.77 3.44 5.03 -1.26 -2.34 117.44 119.83 2jij n TRP 47 Ca -0.08 0.08 -0.30 0.00 3.03 0.00 0.00 57.50 60.23 2jij n TRP 47 Cb 0.58 -1.05 -0.15 0.00 -1.03 0.00 0.00 31.31 29.66 2jij n TRP 47 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 2jij s SER 48 N -6.40 3.89 1.05 -0.99 0.15 -1.26 -2.76 113.70 107.38 2jij s SER 48 Ca -0.26 -1.50 -0.12 0.00 0.70 0.00 0.00 55.95 54.77 2jij s SER 48 Cb 0.08 -0.89 0.17 0.00 -1.71 0.00 0.00 66.02 63.67 2jij s SER 48 CO 0.69 -0.38 0.86 -0.81 1.20 0.00 0.00 173.24 174.80 2jij n PRO 49 N 4.83 -1.37 -2.95 5.44 -0.04 -1.26 -1.70 135.00 137.95 2jij n PRO 49 Ca -0.04 -1.35 -0.43 0.00 -0.04 0.00 0.00 63.50 61.65 2jij n PRO 49 Cb 0.43 -0.99 -0.05 0.00 -0.04 0.00 0.00 33.50 32.85 2jij n PRO 49 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2jij s ARG 50 N -4.90 3.24 -0.01 0.54 3.52 -1.11 -4.55 118.95 115.66 2jij s ARG 50 Ca 0.51 -0.55 0.03 0.00 -0.13 0.00 0.00 55.73 55.59 2jij s ARG 50 Cb -0.02 -4.09 -0.00 0.00 -1.56 0.00 0.00 34.95 29.27 2jij s ARG 50 CO 0.37 -1.43 -0.09 0.00 -0.81 0.00 0.00 175.30 173.34 2jij s ALA 51 N 3.50 0.74 0.06 6.12 0.00 -0.99 -1.00 121.76 130.19 2jij s ALA 51 Ca 0.24 -0.35 0.09 0.00 0.00 0.00 0.00 51.96 51.94 2jij s ALA 51 Cb -0.15 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 2jij s ALA 51 CO 0.16 0.16 -0.26 -0.06 0.00 0.00 0.00 175.76 175.76 2jij s PHE 52 N -0.08 2.27 -0.22 0.00 0.40 0.22 -0.58 117.98 119.98 2jij s PHE 52 Ca 0.02 -0.40 -0.09 0.00 -0.60 0.00 0.00 56.93 55.85 2jij s PHE 52 Cb -0.05 -1.33 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 2jij s PHE 52 CO -0.00 0.16 0.11 -1.17 0.70 0.00 0.00 175.22 175.02 2jij s LEU 53 N -1.40 3.87 -0.46 -0.37 2.96 0.10 -0.24 118.68 123.15 2jij s LEU 53 Ca 0.12 0.04 -0.15 0.00 -0.22 0.00 0.00 54.13 53.91 2jij s LEU 53 Cb -0.10 -2.02 0.06 0.00 0.50 0.00 0.00 46.19 44.64 2jij s LEU 53 CO 0.03 0.09 0.37 -0.76 -1.32 0.00 0.00 176.35 174.75 2jij s LEU 54 N 0.91 5.49 0.33 -0.68 1.43 0.55 -0.04 118.68 126.67 2jij s LEU 54 Ca 0.05 -1.26 -0.29 0.00 -1.03 0.00 0.00 54.13 51.60 2jij s LEU 54 Cb -0.13 -2.16 -0.10 0.00 0.03 0.00 0.00 46.19 43.82 2jij s LEU 54 CO 0.03 -0.60 1.29 -0.54 0.23 0.00 0.00 176.35 176.76 2jij s LYS 55 N 1.63 4.38 -1.72 1.70 -0.14 -0.27 -0.71 119.74 124.61 2jij s LYS 55 Ca 0.04 2.18 -0.16 0.00 -1.36 0.00 0.00 55.97 56.67 2jij s LYS 55 Cb -0.23 -3.08 0.15 0.00 -1.68 0.00 0.00 37.83 32.99 2jij s LYS 55 CO 0.07 -0.15 0.60 0.09 -0.76 0.00 0.00 175.35 175.20 2jij n ASN 56 N 0.83 -2.06 -0.31 2.83 4.13 -1.24 -4.18 115.26 115.27 2jij n ASN 56 Ca -0.00 -1.12 -0.00 0.00 1.68 0.00 0.00 54.58 55.14 2jij n ASN 56 Cb 0.42 -2.28 0.17 0.00 -1.54 0.00 0.00 39.78 36.55 2jij n ASN 56 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 2jij h PHE 57 N -1.36 1.13 -2.83 3.10 3.57 -0.33 -3.43 116.94 116.80 2jij h PHE 57 Ca -0.61 0.03 -0.61 0.00 3.53 0.00 0.00 57.97 60.31 2jij h PHE 57 Cb 1.39 -0.38 -0.13 0.00 2.79 0.00 0.00 35.95 39.62 2jij h PHE 57 CO 0.63 0.70 -0.69 -0.51 -2.23 0.00 0.00 178.31 176.20 2jij s LEU 58 N -10.02 3.09 0.51 0.59 1.43 -0.27 -5.05 118.68 108.96 2jij s LEU 58 Ca -0.12 -0.55 -0.09 0.00 -1.03 0.00 0.00 54.13 52.34 2jij s LEU 58 Cb 0.18 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.62 2jij s LEU 58 CO 0.80 0.08 0.87 -0.94 0.23 0.00 0.00 176.35 177.39 2jij s SER 59 N -3.01 6.33 0.23 2.29 1.04 -1.26 -4.52 113.70 114.81 2jij s SER 59 Ca 0.27 1.15 -0.06 0.00 0.48 0.00 0.00 55.95 57.79 2jij s SER 59 Cb -0.08 -2.34 0.31 0.00 0.10 0.00 0.00 66.02 64.00 2jij s SER 59 CO 0.17 -0.63 1.84 0.44 0.98 0.00 0.00 173.24 176.04 2jij h ASP 60 N 0.33 0.76 -0.26 7.02 3.32 -1.97 -1.40 116.42 124.22 2jij h ASP 60 Ca -0.46 0.02 0.04 0.00 0.02 0.00 0.00 57.03 56.65 2jij h ASP 60 Cb 1.20 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.57 2jij h ASP 60 CO 0.62 0.49 0.02 -0.33 -1.72 0.00 0.00 179.24 178.32 2jij h GLU 61 N 0.89 0.10 -0.38 3.56 3.07 -1.99 -0.93 114.58 118.90 2jij h GLU 61 Ca 0.36 -0.01 0.04 0.00 -0.50 0.00 0.00 59.36 59.25 2jij h GLU 61 Cb 0.18 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.03 2jij h GLU 61 CO -0.18 0.07 0.17 0.93 -1.40 0.00 0.00 179.01 178.60 2jij h GLU 62 N 0.10 0.34 -0.13 2.33 5.08 -1.78 0.22 114.58 120.73 2jij h GLU 62 Ca 0.12 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 2jij h GLU 62 Cb 0.15 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2jij h GLU 62 CO -0.19 0.22 -0.11 0.00 -1.00 0.00 0.00 179.01 177.94 2jij h ASP 64 N -0.12 0.55 -0.25 0.00 3.32 -0.81 -1.44 116.42 117.66 2jij h ASP 64 Ca 0.09 -0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.14 2jij h ASP 64 Cb 0.25 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 39.59 2jij h ASP 64 CO -0.21 0.45 -0.19 0.22 -1.72 0.00 0.00 179.24 177.80 2jij h TYR 65 N 0.61 -0.48 0.07 4.55 3.20 -0.16 0.27 116.97 125.02 2jij h TYR 65 Ca 0.16 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.07 2jij h TYR 65 Cb 0.00 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 2jij h TYR 65 CO -0.03 -0.26 -0.07 0.82 -1.64 0.00 0.00 178.16 176.97 2jij h ILE 66 N -0.18 0.83 -0.28 1.81 2.04 -0.80 -1.17 117.51 119.75 2jij h ILE 66 Ca 0.14 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.06 2jij h ILE 66 Cb 0.39 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.24 2jij h ILE 66 CO -0.36 0.00 -0.13 0.58 0.00 0.00 0.00 178.15 178.24 2jij h VAL 67 N -0.16 0.59 -0.98 1.67 2.07 -0.88 0.14 116.25 118.70 2jij h VAL 67 Ca 0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.55 2jij h VAL 67 Cb 0.16 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 2jij h VAL 67 CO -0.03 0.00 0.65 -0.33 0.02 0.00 0.00 177.57 177.88 2jij h GLU 68 N -0.09 1.25 -0.09 1.57 4.39 -0.66 0.14 114.58 121.09 2jij h GLU 68 Ca 0.15 -0.08 -0.15 0.00 0.34 0.00 0.00 59.36 59.62 2jij h GLU 68 Cb 0.31 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2jij h GLU 68 CO -0.34 0.83 -0.60 0.87 -1.16 0.00 0.00 179.01 178.61 2jij h LYS 69 N 1.28 0.32 -0.08 2.33 1.79 -0.81 -3.20 116.57 118.20 2jij h LYS 69 Ca 0.37 -0.21 -0.18 0.00 -2.18 0.00 0.00 60.65 58.45 2jij h LYS 69 Cb -0.08 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.60 2jij h LYS 69 CO -0.10 0.82 -0.73 0.00 -1.08 0.00 0.00 179.45 178.36 2jij h ALA 70 N 1.13 0.59 -0.24 3.86 0.00 0.27 -3.39 119.26 121.49 2jij h ALA 70 Ca -0.00 -0.61 0.03 0.00 0.00 0.00 0.00 54.91 54.33 2jij h ALA 70 Cb 1.11 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2jij h ALA 70 CO 0.10 0.76 0.07 -0.09 0.00 0.00 0.00 179.25 180.08 2jij h ARG 71 N 0.28 0.16 0.00 0.00 2.43 -0.75 -0.17 114.38 116.33 2jij h ARG 71 Ca -0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2jij h ARG 71 Cb 1.30 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2jij h ARG 71 CO 0.13 0.11 0.00 -0.35 -1.51 0.00 0.00 179.97 178.34 2jij n PRO 72 N -5.06 0.07 0.00 0.20 -0.04 -1.26 -2.35 135.00 126.57 2jij n PRO 72 Ca -0.02 0.24 0.08 0.00 -0.04 0.00 0.00 63.50 63.75 2jij n PRO 72 Cb 0.09 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.02 2jij n PRO 72 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2jij n LYS 73 N -1.42 1.80 -2.03 0.54 5.02 -0.11 -5.03 118.16 116.94 2jij n LYS 73 Ca 0.04 -0.49 -0.41 0.00 -2.02 0.00 0.00 58.31 55.43 2jij n LYS 73 Cb 0.13 -1.25 -0.02 0.00 -0.02 0.00 0.00 35.03 33.87 2jij n LYS 73 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2jij s MET 74 N -2.10 4.28 0.04 1.97 -1.94 -0.98 -4.76 119.30 115.82 2jij s MET 74 Ca 0.10 2.31 0.04 0.00 -1.71 0.00 0.00 55.69 56.43 2jij s MET 74 Cb 0.12 -3.03 -0.02 0.00 2.01 0.00 0.00 34.83 33.91 2jij s MET 74 CO 0.49 -0.29 -0.11 0.14 -0.01 0.00 0.00 175.02 175.24 2jij s VAL 75 N -1.14 0.86 0.55 -6.03 -7.23 -1.10 -4.95 120.40 101.37 2jij s VAL 75 Ca 0.50 -1.03 -0.20 0.00 -1.81 0.00 0.00 61.98 59.44 2jij s VAL 75 Cb -0.41 -0.83 -0.05 0.00 0.56 0.00 0.00 36.38 35.64 2jij s VAL 75 CO 0.56 -0.17 1.17 -0.75 -0.31 0.00 0.00 175.10 175.59 2jij s LYS 76 N -1.34 3.28 0.04 4.82 2.20 -1.26 -0.71 119.74 126.76 2jij s LYS 76 Ca -0.03 1.72 0.00 0.00 -0.36 0.00 0.00 55.97 57.30 2jij s LYS 76 Cb -0.09 -2.04 0.00 0.00 -1.51 0.00 0.00 37.83 34.20 2jij s LYS 76 CO 0.01 -0.93 0.00 -2.13 -0.36 0.00 0.00 175.35 171.94 2jij n ARG 93 N -1.28 -0.31 -3.68 4.03 0.63 -1.26 -4.89 116.66 109.91 2jij n ARG 93 Ca 0.12 0.24 -0.16 0.00 -0.92 0.00 0.00 57.85 57.13 2jij n ARG 93 Cb 0.50 -0.74 -0.15 0.00 0.45 0.00 0.00 32.46 32.52 2jij n ARG 93 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2jij s THR 94 N -3.50 -0.27 0.02 5.15 2.01 -1.19 -5.02 115.64 112.84 2jij s THR 94 Ca 0.00 0.32 -0.03 0.00 0.31 0.00 0.00 61.69 62.29 2jij s THR 94 Cb 0.00 -0.32 0.01 0.00 0.01 0.00 0.00 72.50 72.20 2jij s THR 94 CO 0.00 0.13 0.12 -1.54 -0.69 0.00 0.00 174.62 172.65 2jij n SER 95 N 5.19 -0.22 -4.33 3.53 3.41 -1.26 -3.80 113.62 116.14 2jij n SER 95 Ca -0.08 -1.12 -0.26 0.00 -0.26 0.00 0.00 58.87 57.15 2jij n SER 95 Cb 0.50 0.35 -0.13 0.00 -0.26 0.00 0.00 64.21 64.68 2jij n SER 95 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2jij s THR 96 N -2.54 1.98 0.22 6.66 -4.23 -1.05 -4.53 115.64 112.15 2jij s THR 96 Ca 0.03 -1.63 -0.08 0.00 -1.18 0.00 0.00 61.69 58.83 2jij s THR 96 Cb -0.00 -1.77 -0.02 0.00 1.34 0.00 0.00 72.50 72.05 2jij s THR 96 CO 0.01 0.03 0.31 -0.83 -0.54 0.00 0.00 174.62 173.60 2jij s GLY 97 N -1.94 0.87 0.25 3.99 0.00 0.11 -1.42 107.32 109.18 2jij s GLY 97 Ca 0.10 -1.20 -0.18 0.00 0.00 0.00 0.00 44.72 43.44 2jij s GLY 97 CO 0.05 -0.96 0.62 -1.08 0.00 0.00 0.00 173.10 171.73 2jij s THR 98 N -4.06 0.01 0.14 0.90 -1.32 -0.39 -2.69 115.64 108.21 2jij s THR 98 Ca 0.28 -1.00 0.10 0.00 -1.21 0.00 0.00 61.69 59.86 2jij s THR 98 Cb 0.03 -1.91 -0.04 0.00 -1.51 0.00 0.00 72.50 69.07 2jij s THR 98 CO 0.09 -0.02 -0.23 0.26 -2.21 0.00 0.00 174.62 172.50 2jij s TRP 99 N -3.92 2.07 -0.14 9.09 0.52 -1.26 -0.66 118.94 124.63 2jij s TRP 99 Ca 0.13 -0.40 -0.00 0.00 0.02 0.00 0.00 56.10 55.85 2jij s TRP 99 Cb -0.03 -1.10 -0.01 0.00 -1.15 0.00 0.00 33.47 31.18 2jij s TRP 99 CO 0.04 0.32 -0.14 -0.06 0.02 0.00 0.00 176.95 177.14 2jij s PHE 100 N -1.33 2.80 0.37 -1.98 0.08 0.17 -4.98 117.98 113.10 2jij s PHE 100 Ca 0.13 -0.78 -0.28 0.00 0.12 0.00 0.00 56.93 56.12 2jij s PHE 100 Cb -0.09 -1.86 -0.11 0.00 -0.57 0.00 0.00 43.02 40.38 2jij s PHE 100 CO 0.06 -0.31 1.43 0.00 -0.10 0.00 0.00 175.22 176.31 2jij n ALA 101 N 3.73 2.08 -1.66 5.36 0.00 -1.26 -1.22 120.51 127.53 2jij n ALA 101 Ca -0.18 0.35 -0.57 0.00 0.00 0.00 0.00 53.44 53.04 2jij n ALA 101 Cb 0.52 -2.37 -0.07 0.00 0.00 0.00 0.00 19.45 17.53 2jij n ALA 101 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2jij n LYS 102 N 0.48 1.11 -0.77 0.00 4.81 -1.26 -1.30 118.16 121.24 2jij n LYS 102 Ca 0.02 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 2jij n LYS 102 Cb 0.38 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.30 2jij n LYS 102 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jij n GLY 103 N 4.62 0.70 0.28 3.14 0.00 -1.26 -4.92 105.19 107.75 2jij n GLY 103 Ca 0.29 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.44 2jij n GLY 103 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jij h GLU 104 N 2.27 0.00 -3.18 1.61 4.81 -1.55 -3.44 114.58 115.11 2jij h GLU 104 Ca 0.00 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.03 2jij h GLU 104 Cb 0.00 0.00 -0.29 0.00 0.63 0.00 0.00 28.75 29.09 2jij h GLU 104 CO 0.00 0.04 -0.52 0.34 -0.73 0.00 0.00 179.01 178.14 2jij s ASP 105 N -6.30 -0.20 0.19 1.04 -1.08 -1.26 -5.05 116.67 104.01 2jij s ASP 105 Ca -0.04 0.41 -0.04 0.00 -0.52 0.00 0.00 52.55 52.36 2jij s ASP 105 Cb 0.15 0.34 0.12 0.00 -1.46 0.00 0.00 42.92 42.08 2jij s ASP 105 CO 0.58 -0.12 1.53 0.77 0.52 0.00 0.00 175.17 178.44 2jij h SER 106 N 6.70 0.67 0.35 -0.34 4.64 -1.99 0.19 113.55 123.78 2jij h SER 106 Ca -0.36 -0.33 -0.01 0.00 -0.47 0.00 0.00 61.79 60.63 2jij h SER 106 Cb 1.17 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.05 2jij h SER 106 CO 0.39 1.04 -0.26 0.58 -0.87 0.00 0.00 176.83 177.71 2jij h VAL 107 N 0.49 0.45 0.00 0.95 2.07 -1.99 -2.74 116.25 115.49 2jij h VAL 107 Ca 0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 2jij h VAL 107 Cb 1.01 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2jij h VAL 107 CO 0.09 0.00 -0.21 0.40 0.02 0.00 0.00 177.57 177.88 2jij h ILE 108 N -0.61 1.10 -0.25 4.57 2.04 -1.94 -2.77 117.51 119.64 2jij h ILE 108 Ca -0.03 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.05 2jij h ILE 108 Cb 0.53 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 2jij h ILE 108 CO -0.00 0.20 -0.11 0.28 0.00 0.00 0.00 178.15 178.52 2jij h SER 109 N 0.00 0.38 -0.46 1.72 0.02 -0.37 0.24 113.55 115.09 2jij h SER 109 Ca -0.00 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.80 2jij h SER 109 Cb 0.38 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2jij h SER 109 CO 0.03 0.53 0.05 0.50 -1.14 0.00 0.00 176.83 176.80 2jij h LYS 110 N 0.38 0.77 -0.69 3.45 3.64 -1.20 -0.64 116.57 122.28 2jij h LYS 110 Ca 0.08 -0.22 -0.06 0.00 -1.27 0.00 0.00 60.65 59.17 2jij h LYS 110 Cb 0.42 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2jij h LYS 110 CO 0.02 0.80 0.18 0.82 -2.27 0.00 0.00 179.45 179.01 2jij h ILE 111 N 0.63 1.26 -0.65 2.00 2.04 -1.37 -1.18 117.51 120.24 2jij h ILE 111 Ca 0.14 -0.93 -0.05 0.00 1.00 0.00 0.00 64.86 65.01 2jij h ILE 111 Cb 0.42 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 2jij h ILE 111 CO 0.01 0.36 0.21 -0.33 0.00 0.00 0.00 178.15 178.40 2jij h GLU 112 N 1.04 0.98 -0.42 2.37 5.08 0.17 -0.12 114.58 123.68 2jij h GLU 112 Ca 0.22 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 2jij h GLU 112 Cb 0.34 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2jij h GLU 112 CO -0.00 0.83 -0.19 0.87 -1.00 0.00 0.00 179.01 179.52 2jij h LYS 113 N 0.95 0.82 -0.25 2.33 1.57 -0.84 -1.48 116.57 119.68 2jij h LYS 113 Ca 0.21 -0.32 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2jij h LYS 113 Cb 0.26 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 2jij h LYS 113 CO -0.01 0.95 0.08 -0.09 -0.57 0.00 0.00 179.45 179.81 2jij h ARG 114 N 0.72 0.19 -0.96 3.15 2.43 -0.19 -1.41 114.38 118.32 2jij h ARG 114 Ca 0.11 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2jij h ARG 114 Cb 0.71 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.16 2jij h ARG 114 CO 0.05 0.13 0.64 0.28 -1.51 0.00 0.00 179.97 179.56 2jij h VAL 115 N 0.20 1.22 -0.76 0.20 2.07 -0.76 -0.62 116.25 117.80 2jij h VAL 115 Ca 0.11 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 2jij h VAL 115 Cb 0.07 -0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 29.64 2jij h VAL 115 CO -0.11 0.23 0.26 0.00 0.02 0.00 0.00 177.57 177.97 2jij h ALA 116 N 1.37 0.99 0.08 1.67 0.00 -0.60 -1.78 119.26 120.98 2jij h ALA 116 Ca 0.36 -0.22 -0.29 0.00 0.00 0.00 0.00 54.91 54.77 2jij h ALA 116 Cb -0.10 -0.29 0.03 0.00 0.00 0.00 0.00 17.79 17.42 2jij h ALA 116 CO -0.09 0.66 -1.17 1.96 0.00 0.00 0.00 179.25 180.61 2jij h GLN 117 N 1.12 0.66 -0.38 0.00 4.20 -0.71 -0.68 115.11 119.31 2jij h GLN 117 Ca 0.25 -0.81 -0.12 0.00 0.06 0.00 0.00 58.65 58.03 2jij h GLN 117 Cb 0.28 0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2jij h GLN 117 CO -0.01 1.36 -0.23 -0.24 -0.67 0.00 0.00 178.83 179.04 2jij h VAL 118 N 0.32 1.27 0.00 -0.54 3.04 -1.07 -2.93 116.25 116.34 2jij h VAL 118 Ca -0.17 -1.34 0.00 0.00 -1.01 0.00 0.00 66.70 64.18 2jij h VAL 118 Cb 1.83 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 32.33 2jij h VAL 118 CO 0.23 0.45 -0.14 0.35 -1.01 0.00 0.00 177.57 177.45 2jij n THR 119 N -4.11 0.18 -2.53 3.17 -2.24 -0.68 -4.91 114.28 103.16 2jij n THR 119 Ca 0.00 -0.10 -0.19 0.00 -2.27 0.00 0.00 64.05 61.49 2jij n THR 119 Cb 0.43 -0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 68.29 2jij n THR 119 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2jij n MET 120 N -1.75 -2.31 -4.85 -0.78 0.00 -0.37 -5.02 117.12 102.05 2jij n MET 120 Ca 0.06 0.90 -0.32 0.00 0.00 0.00 0.00 57.70 58.34 2jij n MET 120 Cb 0.37 -5.59 -0.17 0.00 0.00 0.00 0.00 33.22 27.84 2jij n MET 120 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2jij s ILE 121 N -2.98 2.01 0.75 2.02 1.01 -0.58 -5.01 121.20 118.42 2jij s ILE 121 Ca 0.06 -0.97 -0.15 0.00 0.00 0.00 0.00 60.65 59.59 2jij s ILE 121 Cb -0.03 -1.77 0.05 0.00 0.01 0.00 0.00 42.46 40.73 2jij s ILE 121 CO 0.07 0.54 1.23 -2.84 0.00 0.00 0.00 174.94 173.94 2jij s PRO 122 N 0.65 1.99 0.55 2.79 0.02 -1.26 -4.58 135.00 135.16 2jij s PRO 122 Ca -0.11 1.84 0.29 0.00 0.02 0.00 0.00 61.00 63.04 2jij s PRO 122 Cb -0.16 -1.81 1.63 0.00 0.02 0.00 0.00 34.50 34.18 2jij s PRO 122 CO 0.02 -1.97 2.15 -0.07 -0.33 0.00 0.00 177.00 176.80 2jij h LEU 123 N -0.38 0.00 -2.14 -5.54 3.38 -1.22 -2.00 115.31 107.40 2jij h LEU 123 Ca -0.48 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 2jij h LEU 123 Cb 1.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 2jij h LEU 123 CO 0.49 0.07 -0.07 1.05 0.09 0.00 0.00 178.44 180.06 2jij h GLU 124 N 0.00 0.00 -0.00 1.13 9.09 -1.83 -1.18 114.58 121.79 2jij h GLU 124 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2jij h GLU 124 Cb 0.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.30 2jij h GLU 124 CO 0.01 0.07 -0.01 0.09 0.05 0.00 0.00 179.01 179.22 2jij n ASN 125 N -3.69 0.03 -4.88 3.06 4.13 -0.75 -1.54 115.26 111.62 2jij n ASN 125 Ca -0.02 -0.29 -0.35 0.00 1.68 0.00 0.00 54.58 55.60 2jij n ASN 125 Cb 0.18 -0.23 -0.05 0.00 -1.54 0.00 0.00 39.78 38.13 2jij n ASN 125 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 2jij s HIS 126 N -2.49 3.59 0.70 3.10 3.76 -0.45 0.02 115.29 123.52 2jij s HIS 126 Ca 0.31 0.63 -0.05 0.00 -0.15 0.00 0.00 55.06 55.81 2jij s HIS 126 Cb 0.20 -2.04 0.08 0.00 1.11 0.00 0.00 32.58 31.94 2jij s HIS 126 CO 0.45 0.60 0.99 -1.21 -0.85 0.00 0.00 174.74 174.72 2jij s GLU 127 N -1.73 2.00 0.00 1.40 2.02 -0.74 -4.93 118.70 116.72 2jij s GLU 127 Ca 0.28 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.69 2jij s GLU 127 Cb -0.13 -2.24 0.00 0.00 0.10 0.00 0.00 34.13 31.85 2jij s GLU 127 CO 0.16 -1.29 0.00 0.41 0.02 0.00 0.00 175.26 174.56 2jij n GLY 128 N -2.86 -2.64 3.30 -1.39 0.00 -1.26 -4.70 105.19 95.63 2jij n GLY 128 Ca 0.10 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 2jij n GLY 128 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jij s LEU 129 N 0.00 2.70 -0.19 0.99 2.96 -0.36 -4.53 118.68 120.26 2jij s LEU 129 Ca 0.00 -0.42 -0.10 0.00 -0.22 0.00 0.00 54.13 53.39 2jij s LEU 129 Cb 0.00 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 2jij s LEU 129 CO 0.00 0.04 0.16 -1.58 -1.32 0.00 0.00 176.35 173.65 2jij s GLN 130 N 1.08 4.15 -0.15 1.98 0.74 -0.98 0.41 119.66 126.89 2jij s GLN 130 Ca 0.00 -0.16 0.01 0.00 0.05 0.00 0.00 55.36 55.26 2jij s GLN 130 Cb -0.15 -3.40 -0.00 0.00 1.10 0.00 0.00 33.01 30.56 2jij s GLN 130 CO -0.02 0.32 -0.17 0.08 -0.55 0.00 0.00 175.29 174.96 2jij s VAL 131 N 0.28 2.58 0.08 1.34 1.01 0.16 0.08 120.40 125.94 2jij s VAL 131 Ca 0.10 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.35 2jij s VAL 131 Cb -0.11 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 2jij s VAL 131 CO -0.01 0.52 -0.15 -0.76 0.00 0.00 0.00 175.10 174.71 2jij s LEU 132 N 0.72 2.82 -0.08 3.92 1.43 0.04 -1.27 118.68 126.26 2jij s LEU 132 Ca -0.07 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 2jij s LEU 132 Cb -0.16 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.42 2jij s LEU 132 CO 0.01 0.21 -0.17 -2.28 0.23 0.00 0.00 176.35 174.35 2jij s HIS 133 N -1.09 1.91 0.05 0.29 5.65 -0.51 -1.20 115.29 120.39 2jij s HIS 133 Ca 0.18 -0.75 0.09 0.00 0.25 0.00 0.00 55.06 54.83 2jij s HIS 133 Cb -0.11 -1.33 -0.03 0.00 -1.18 0.00 0.00 32.58 29.93 2jij s HIS 133 CO 0.10 -0.34 -0.26 0.71 -0.65 0.00 0.00 174.74 174.29 2jij s TYR 134 N 0.54 2.32 0.00 3.88 2.02 0.17 -2.52 117.35 123.76 2jij s TYR 134 Ca -0.16 -0.41 -0.28 0.00 -0.37 0.00 0.00 57.07 55.84 2jij s TYR 134 Cb -0.17 -1.39 0.07 0.00 -0.40 0.00 0.00 41.96 40.07 2jij s TYR 134 CO 0.06 0.13 0.64 -3.38 -1.57 0.00 0.00 175.55 171.43 2jij s HIS 135 N -0.81 -0.61 -0.83 2.71 -3.43 -1.26 -1.32 115.29 109.73 2jij s HIS 135 Ca 0.12 0.89 -0.04 0.00 -0.80 0.00 0.00 55.06 55.23 2jij s HIS 135 Cb -0.10 0.43 -0.05 0.00 -1.43 0.00 0.00 32.58 31.43 2jij s HIS 135 CO 0.02 -0.66 0.72 -0.25 -2.00 0.00 0.00 174.74 172.58 2jij n ASP 136 N 0.60 -5.31 0.00 7.38 9.92 -1.02 -2.97 116.55 125.15 2jij n ASP 136 Ca -0.19 -0.55 0.00 0.00 -0.53 0.00 0.00 54.79 53.53 2jij n ASP 136 Cb 0.59 -4.18 0.00 0.00 -0.64 0.00 0.00 41.12 36.89 2jij n ASP 136 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jij n GLY 137 N -1.27 3.05 3.66 0.44 0.00 -0.24 -4.99 105.19 105.85 2jij n GLY 137 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 2jij n GLY 137 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jij n GLN 138 N -1.38 1.13 -1.99 1.61 6.02 -1.16 -4.32 117.38 117.30 2jij n GLN 138 Ca 0.00 0.43 -0.01 0.00 -0.01 0.00 0.00 57.00 57.41 2jij n GLN 138 Cb 0.00 -2.32 0.01 0.00 1.02 0.00 0.00 30.24 28.95 2jij n GLN 138 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2jij n LYS 139 N -1.13 0.17 -3.46 -1.09 2.85 -1.25 -2.56 118.16 111.69 2jij n LYS 139 Ca 0.13 -0.37 -0.09 0.00 -1.05 0.00 0.00 58.31 56.93 2jij n LYS 139 Cb 0.46 0.50 -0.09 0.00 -0.65 0.00 0.00 35.03 35.26 2jij n LYS 139 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 2jij s TYR 140 N -5.26 -0.79 0.63 5.58 6.14 -0.81 -3.18 117.35 119.66 2jij s TYR 140 Ca 0.05 1.05 -0.18 0.00 0.64 0.00 0.00 57.07 58.64 2jij s TYR 140 Cb -0.01 0.10 -0.03 0.00 0.42 0.00 0.00 41.96 42.44 2jij s TYR 140 CO 0.01 -0.63 0.99 0.39 0.64 0.00 0.00 175.55 176.96 2jij n GLU 141 N 5.37 0.83 -1.83 4.97 -0.58 -1.26 -0.93 120.64 127.21 2jij n GLU 141 Ca -0.05 0.33 -0.42 0.00 -0.42 0.00 0.00 57.16 56.60 2jij n GLU 141 Cb 0.50 -2.22 -0.02 0.00 -0.57 0.00 0.00 31.44 29.13 2jij n GLU 141 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 2jij s PRO 142 N -2.94 4.17 0.35 3.49 0.02 -1.26 -4.53 135.00 134.29 2jij s PRO 142 Ca 0.77 2.50 0.02 0.00 0.02 0.00 0.00 61.00 64.31 2jij s PRO 142 Cb -0.40 -3.08 -0.01 0.00 0.02 0.00 0.00 34.50 31.03 2jij s PRO 142 CO 0.46 -0.64 0.41 -3.38 -0.33 0.00 0.00 177.00 173.53 2jij s HIS 143 N 0.66 1.40 0.12 6.54 -3.43 0.11 -4.81 115.29 115.87 2jij s HIS 143 Ca 0.68 -1.48 0.05 0.00 -0.80 0.00 0.00 55.06 53.51 2jij s HIS 143 Cb -0.47 -0.34 -0.04 0.00 -1.43 0.00 0.00 32.58 30.30 2jij s HIS 143 CO 0.38 -1.06 0.02 0.71 -2.00 0.00 0.00 174.74 172.79 2jij s TYR 144 N -3.10 2.99 -0.15 0.38 1.51 -1.26 0.13 117.35 117.85 2jij s TYR 144 Ca 0.35 -0.04 0.17 0.00 -1.01 0.00 0.00 57.07 56.54 2jij s TYR 144 Cb 0.00 -1.50 -0.07 0.00 -0.11 0.00 0.00 41.96 40.28 2jij s TYR 144 CO 0.25 0.50 1.00 -0.44 -1.11 0.00 0.00 175.55 175.74 2jij h ASP 145 N 3.13 0.00 -3.95 2.29 3.32 -1.96 -3.47 116.42 115.78 2jij h ASP 145 Ca -0.47 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.08 2jij h ASP 145 Cb 1.18 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.76 2jij h ASP 145 CO 0.60 0.48 0.25 -0.72 -1.72 0.00 0.00 179.24 178.14 2jij s TYR 146 N -2.99 3.56 0.05 4.55 1.13 -1.26 -4.80 117.35 117.59 2jij s TYR 146 Ca -0.01 1.10 -0.31 0.00 -1.41 0.00 0.00 57.07 56.44 2jij s TYR 146 Cb 0.08 -2.53 -0.10 0.00 -1.10 0.00 0.00 41.96 38.31 2jij s TYR 146 CO 0.79 -0.41 1.92 1.19 -2.51 0.00 0.00 175.55 176.53 2jij n PHE 147 N -2.20 2.53 0.90 -3.49 3.72 -1.26 -4.85 117.46 112.81 2jij n PHE 147 Ca 0.03 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 2jij n PHE 147 Cb 0.54 -2.76 0.00 0.00 -0.94 0.00 0.00 39.48 36.32 2jij n PHE 147 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 2jij n HIS 148 N 6.78 0.00 -3.20 1.38 1.44 -1.26 -3.69 115.22 116.66 2jij n HIS 148 Ca 0.20 -0.32 0.03 0.00 -2.01 0.00 0.00 57.72 55.61 2jij n HIS 148 Cb 0.38 -0.19 -0.02 0.00 0.12 0.00 0.00 29.99 30.28 2jij n HIS 148 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2jij s ASP 149 N 0.69 -1.24 0.36 4.39 -1.08 -1.26 -5.10 116.67 113.43 2jij s ASP 149 Ca 0.00 0.87 0.27 0.00 -0.52 0.00 0.00 52.55 53.17 2jij s ASP 149 Cb 0.00 2.09 1.11 0.00 -1.46 0.00 0.00 42.92 44.65 2jij s ASP 149 CO 0.00 -0.26 1.80 1.55 0.52 0.00 0.00 175.17 178.78 2jij h PRO 150 N 8.02 0.00 0.00 4.34 0.13 -1.99 -2.46 132.00 140.04 2jij h PRO 150 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2jij h PRO 150 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2jij h PRO 150 CO 0.25 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 179.35 2jij n VAL 151 N -2.53 0.00 1.01 1.56 0.24 -1.26 -2.85 118.33 114.50 2jij n VAL 151 Ca 0.02 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.43 2jij n VAL 151 Cb 0.26 -0.72 0.06 0.00 -1.47 0.00 0.00 33.84 31.97 2jij n VAL 151 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2jij n ASN 152 N -0.97 0.84 -4.45 -1.34 3.02 -0.93 -4.69 115.26 106.74 2jij n ASN 152 Ca 0.12 -0.71 -0.42 0.00 -0.03 0.00 0.00 54.58 53.54 2jij n ASN 152 Cb 0.05 0.63 -0.10 0.00 -0.61 0.00 0.00 39.78 39.75 2jij n ASN 152 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jij s ALA 153 N -2.96 3.42 0.73 5.41 0.00 -1.13 -5.06 121.76 122.17 2jij s ALA 153 Ca 0.10 -1.65 -0.02 0.00 0.00 0.00 0.00 51.96 50.39 2jij s ALA 153 Cb 0.17 -2.75 0.13 0.00 0.00 0.00 0.00 23.12 20.67 2jij s ALA 153 CO 0.77 -1.34 0.88 0.41 0.00 0.00 0.00 175.76 176.48 2jij n GLY 154 N 5.10 0.40 0.28 0.00 0.00 -1.26 -4.52 105.19 105.18 2jij n GLY 154 Ca -0.12 -1.98 -0.03 0.00 0.00 0.00 0.00 46.02 43.89 2jij n GLY 154 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jij h PRO 155 N 0.00 0.72 0.00 1.61 0.11 -1.96 -1.44 132.00 131.04 2jij h PRO 155 Ca -0.29 -0.19 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 2jij h PRO 155 Cb 1.03 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 2jij h PRO 155 CO 0.30 0.74 -0.34 0.93 -0.21 0.00 0.00 178.00 179.41 2jij h GLU 156 N 0.67 0.00 -0.00 1.05 3.07 -1.90 -1.39 114.58 116.08 2jij h GLU 156 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 2jij h GLU 156 Cb 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 2jij h GLU 156 CO 0.02 0.34 -0.10 0.72 -1.40 0.00 0.00 179.01 178.60 2jij n HIS 157 N -4.09 0.00 -0.74 4.33 8.25 -1.01 -0.14 115.22 121.82 2jij n HIS 157 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2jij n HIS 157 Cb 0.39 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.17 2jij n HIS 157 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jij n GLY 158 N 1.39 0.76 7.00 -1.41 0.00 -0.52 -4.60 105.19 107.81 2jij n GLY 158 Ca 0.11 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2jij n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jij n GLY 159 N -2.14 -0.87 3.74 -0.02 0.00 -0.58 -0.59 105.19 104.74 2jij n GLY 159 Ca 0.00 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 2jij n GLY 159 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jij s GLN 160 N 0.00 2.70 0.11 1.61 -1.52 -1.26 -4.60 119.66 116.70 2jij s GLN 160 Ca 0.00 2.06 -0.31 0.00 -1.95 0.00 0.00 55.36 55.16 2jij s GLN 160 Cb 0.00 -1.92 -0.09 0.00 -0.22 0.00 0.00 33.01 30.79 2jij s GLN 160 CO 0.00 -1.48 1.53 1.03 -0.25 0.00 0.00 175.29 176.12 2jij s ARG 161 N -3.30 4.24 -0.16 2.91 0.52 -1.26 -1.52 118.95 120.38 2jij s ARG 161 Ca 0.80 2.24 0.01 0.00 -0.52 0.00 0.00 55.73 58.27 2jij s ARG 161 Cb -0.37 -3.33 -0.10 0.00 0.52 0.00 0.00 34.95 31.67 2jij s ARG 161 CO 0.40 -0.59 -0.14 1.55 0.02 0.00 0.00 175.30 176.54 2jij n VAL 162 N 4.22 0.91 -4.88 3.52 3.14 0.16 -4.40 118.33 121.00 2jij n VAL 162 Ca 0.14 -0.35 -0.27 0.00 -2.96 0.00 0.00 64.34 60.89 2jij n VAL 162 Cb 0.40 -1.06 -0.16 0.00 -1.06 0.00 0.00 33.84 31.96 2jij n VAL 162 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2jij s VAL 163 N -2.32 1.54 -0.11 1.55 1.01 -0.88 -0.54 120.40 120.65 2jij s VAL 163 Ca -0.21 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 2jij s VAL 163 Cb 0.06 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 2jij s VAL 163 CO 0.37 0.44 -0.06 -0.89 0.00 0.00 0.00 175.10 174.96 2jij s THR 164 N 0.31 3.70 -0.23 3.92 2.01 -0.65 -0.76 115.64 123.94 2jij s THR 164 Ca -0.11 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.45 2jij s THR 164 Cb -0.15 -2.56 0.05 0.00 0.01 0.00 0.00 72.50 69.85 2jij s THR 164 CO 0.05 0.55 -0.11 -0.32 -0.69 0.00 0.00 174.62 174.09 2jij s MET 165 N -0.21 2.22 -0.28 4.92 -2.45 0.20 -1.47 119.30 122.22 2jij s MET 165 Ca 0.03 -1.08 -0.13 0.00 -1.25 0.00 0.00 55.69 53.26 2jij s MET 165 Cb -0.13 -2.67 -0.04 0.00 1.25 0.00 0.00 34.83 33.24 2jij s MET 165 CO 0.03 -0.48 0.27 -0.51 1.05 0.00 0.00 175.02 175.38 2jij s LEU 166 N 1.25 4.03 -0.29 4.11 1.43 0.20 -0.19 118.68 129.23 2jij s LEU 166 Ca -0.04 0.11 -0.07 0.00 -1.03 0.00 0.00 54.13 53.10 2jij s LEU 166 Cb -0.18 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.79 2jij s LEU 166 CO -0.07 -0.11 0.08 -0.04 0.23 0.00 0.00 176.35 176.44 2jij s MET 167 N 1.89 3.17 -0.35 1.70 -1.94 0.18 0.60 119.30 124.56 2jij s MET 167 Ca 0.10 -0.80 -0.27 0.00 -1.71 0.00 0.00 55.69 53.01 2jij s MET 167 Cb -0.16 -3.37 0.02 0.00 2.01 0.00 0.00 34.83 33.33 2jij s MET 167 CO 0.11 -0.41 1.00 0.71 -0.01 0.00 0.00 175.02 176.42 2jij s TYR 168 N 1.52 3.10 -0.69 -0.03 2.02 -0.76 -0.38 117.35 122.13 2jij s TYR 168 Ca 0.03 0.97 0.24 0.00 -0.37 0.00 0.00 57.07 57.94 2jij s TYR 168 Cb -0.17 -3.70 0.23 0.00 -0.40 0.00 0.00 41.96 37.93 2jij s TYR 168 CO 0.03 -0.81 1.20 1.28 -1.57 0.00 0.00 175.55 175.67 2jij n LEU 169 N 6.86 0.63 -4.15 -1.29 4.77 0.71 -1.20 117.00 123.33 2jij n LEU 169 Ca 0.10 0.07 -0.10 0.00 -0.03 0.00 0.00 56.01 56.04 2jij n LEU 169 Cb 0.48 -0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 2jij n LEU 169 CO 0.59 0.02 -0.38 0.42 -1.33 0.00 0.00 177.39 176.71 2jij s THR 170 N -3.15 0.63 -0.15 -5.08 -4.23 -1.21 -4.64 115.64 97.80 2jij s THR 170 Ca 0.06 -1.85 -0.17 0.00 -1.18 0.00 0.00 61.69 58.55 2jij s THR 170 Cb 0.14 -1.58 -0.04 0.00 1.34 0.00 0.00 72.50 72.36 2jij s THR 170 CO 0.75 -0.85 0.43 -0.89 -0.54 0.00 0.00 174.62 173.52 2jij s THR 171 N -3.48 5.21 0.14 3.99 2.01 -1.26 -3.39 115.64 118.86 2jij s THR 171 Ca 0.10 0.83 0.07 0.00 0.31 0.00 0.00 61.69 62.99 2jij s THR 171 Cb 0.04 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 2jij s THR 171 CO -0.05 0.31 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.48 2jij s VAL 172 N 0.81 3.70 0.19 3.82 1.01 -0.70 -4.85 120.40 124.38 2jij s VAL 172 Ca 0.23 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.90 2jij s VAL 172 Cb -0.15 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.42 2jij s VAL 172 CO 0.08 -0.02 0.00 1.21 0.00 0.00 0.00 175.10 176.37 2jij n GLU 173 N 0.18 0.00 -4.32 2.72 2.13 -1.04 -4.83 120.64 115.48 2jij n GLU 173 Ca -0.11 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.50 2jij n GLU 173 Cb 0.54 -0.15 -0.13 0.00 0.27 0.00 0.00 31.44 31.97 2jij n GLU 173 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2jij s GLU 174 N -1.84 1.02 2.22 5.31 2.12 0.30 -4.93 118.70 122.91 2jij s GLU 174 Ca 0.00 -0.97 0.00 0.00 0.36 0.00 0.00 54.97 54.36 2jij s GLU 174 Cb 0.00 -1.12 0.00 0.00 0.26 0.00 0.00 34.13 33.27 2jij s GLU 174 CO 0.00 0.27 0.00 0.41 -0.54 0.00 0.00 175.26 175.40 2jij n GLY 175 N 1.45 0.86 1.80 -1.50 0.00 -1.26 -1.35 105.19 105.20 2jij n GLY 175 Ca -0.19 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2jij n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jij n GLY 176 N 0.00 0.80 3.64 -0.02 0.00 0.14 -4.79 105.19 104.96 2jij n GLY 176 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2jij n GLY 176 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jij n GLU 177 N -2.05 1.37 -2.63 1.61 4.71 -1.26 -4.36 120.64 118.04 2jij n GLU 177 Ca 0.00 0.50 -0.42 0.00 -0.01 0.00 0.00 57.16 57.23 2jij n GLU 177 Cb 0.00 -2.20 -0.03 0.00 -1.01 0.00 0.00 31.44 28.20 2jij n GLU 177 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2jij s THR 178 N -1.34 4.63 -0.02 2.62 2.01 -0.74 -0.24 115.64 122.56 2jij s THR 178 Ca 0.67 1.89 0.07 0.00 0.31 0.00 0.00 61.69 64.64 2jij s THR 178 Cb -0.49 -4.21 -0.02 0.00 0.01 0.00 0.00 72.50 67.79 2jij s THR 178 CO 0.53 0.14 -0.24 0.54 -0.69 0.00 0.00 174.62 174.90 2jij s VAL 179 N 1.08 2.21 -0.57 3.82 0.11 0.05 -1.25 120.40 125.85 2jij s VAL 179 Ca 0.54 -1.06 0.04 0.00 -2.93 0.00 0.00 61.98 58.56 2jij s VAL 179 Cb -0.23 -1.78 0.15 0.00 -1.53 0.00 0.00 36.38 32.99 2jij s VAL 179 CO 0.28 0.57 0.37 -0.76 -3.33 0.00 0.00 175.10 172.23 2jij s LEU 180 N -0.66 3.77 0.27 2.54 1.02 0.37 -0.66 118.68 125.33 2jij s LEU 180 Ca 0.10 -3.30 -0.00 0.00 0.02 0.00 0.00 54.13 50.96 2jij s LEU 180 Cb -0.10 -1.34 0.56 0.00 0.02 0.00 0.00 46.19 45.33 2jij s LEU 180 CO -0.01 -0.17 1.77 -0.65 0.02 0.00 0.00 176.35 177.31 2jij h PRO 181 N 5.96 0.64 0.00 1.29 0.11 -1.78 -1.81 132.00 136.40 2jij h PRO 181 Ca 0.08 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2jij h PRO 181 Cb 0.84 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.81 2jij h PRO 181 CO 0.61 0.42 0.00 0.09 -0.21 0.00 0.00 178.00 178.91 2jij n ASN 182 N -4.85 0.00 -4.72 -2.05 3.02 -1.26 -4.50 115.26 100.89 2jij n ASN 182 Ca 0.18 -0.57 -0.36 0.00 -0.03 0.00 0.00 54.58 53.80 2jij n ASN 182 Cb 0.45 -0.11 0.08 0.00 -0.61 0.00 0.00 39.78 39.58 2jij n ASN 182 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jij s ALA 183 N -2.23 2.26 0.16 5.41 0.00 -0.69 -4.79 121.76 121.87 2jij s ALA 183 Ca 0.36 1.11 -0.17 0.00 0.00 0.00 0.00 51.96 53.26 2jij s ALA 183 Cb 0.19 -3.53 0.07 0.00 0.00 0.00 0.00 23.12 19.84 2jij s ALA 183 CO 0.36 -1.74 1.72 0.93 0.00 0.00 0.00 175.76 177.03 2jij h GLU 184 N 0.22 0.14 -6.54 0.00 5.08 -1.67 -3.43 114.58 108.38 2jij h GLU 184 Ca -0.50 -0.01 -0.70 0.00 -1.00 0.00 0.00 59.36 57.16 2jij h GLU 184 Cb 1.33 -0.03 -0.30 0.00 0.50 0.00 0.00 28.75 30.24 2jij h GLU 184 CO 0.52 0.09 -0.89 -0.65 -1.00 0.00 0.00 179.01 177.08 2jij s GLN 185 N -6.17 2.14 0.18 2.33 -0.21 -1.26 -5.07 119.66 111.60 2jij s GLN 185 Ca -0.13 -0.92 0.07 0.00 0.02 0.00 0.00 55.36 54.39 2jij s GLN 185 Cb 0.13 -2.04 -0.04 0.00 1.00 0.00 0.00 33.01 32.05 2jij s GLN 185 CO 0.71 0.54 0.04 0.15 -2.12 0.00 0.00 175.29 174.61 2jij s LYS 186 N -0.56 2.55 0.68 2.91 1.02 -1.26 -3.14 119.74 121.93 2jij s LYS 186 Ca 0.09 -1.07 -0.11 0.00 0.02 0.00 0.00 55.97 54.90 2jij s LYS 186 Cb -0.10 -2.43 -0.00 0.00 -0.52 0.00 0.00 37.83 34.78 2jij s LYS 186 CO -0.01 0.45 1.06 0.14 -0.92 0.00 0.00 175.35 176.08 2jij s VAL 187 N -1.80 4.08 0.00 3.17 -7.23 -0.51 -4.86 120.40 113.26 2jij s VAL 187 Ca 0.29 0.68 0.00 0.00 -1.81 0.00 0.00 61.98 61.14 2jij s VAL 187 Cb -0.09 -3.56 0.00 0.00 0.56 0.00 0.00 36.38 33.28 2jij s VAL 187 CO 0.20 -0.88 0.02 0.35 -0.31 0.00 0.00 175.10 174.47 2jij n THR 188 N -2.99 0.00 0.07 5.32 -2.24 -1.26 -4.65 114.28 108.53 2jij n THR 188 Ca 0.07 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.94 2jij n THR 188 Cb 0.55 0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 69.26 2jij n THR 188 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jij n GLY 189 N 0.00 -1.35 0.00 3.38 0.00 -1.26 -5.13 105.19 100.83 2jij n GLY 189 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2jij n GLY 189 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2jij n TRP 192 N -2.65 0.00 -1.88 1.61 5.03 -1.26 -5.23 117.44 113.06 2jij n TRP 192 Ca -0.03 0.00 -0.33 0.00 3.03 0.00 0.00 57.50 60.17 2jij n TRP 192 Cb 0.61 0.00 0.03 0.00 -1.03 0.00 0.00 31.31 30.92 2jij n TRP 192 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 2jij s SER 193 N 0.00 5.33 0.25 -0.99 1.04 -1.26 -4.86 113.70 113.21 2jij s SER 193 Ca 0.00 1.99 -0.05 0.00 0.48 0.00 0.00 55.95 58.37 2jij s SER 193 Cb 0.00 -2.55 0.49 0.00 0.10 0.00 0.00 66.02 64.06 2jij s SER 193 CO 0.00 -1.48 1.65 -0.33 0.98 0.00 0.00 173.24 174.06 2jij h GLU 194 N 0.27 0.16 -0.61 4.02 4.39 -2.02 0.13 114.58 120.92 2jij h GLU 194 Ca -0.47 -0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.34 2jij h GLU 194 Cb 1.24 -0.04 -0.12 0.00 -0.10 0.00 0.00 28.75 29.74 2jij h GLU 194 CO 0.55 0.11 -0.20 0.00 -1.16 0.00 0.00 179.01 178.31 2jij h ALA 196 N 1.48 1.41 0.00 0.00 0.00 -1.12 -2.46 119.26 118.57 2jij h ALA 196 Ca 0.29 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2jij h ALA 196 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2jij h ALA 196 CO -0.65 0.41 0.00 1.63 0.00 0.00 0.00 179.25 180.64 2jij n LYS 197 N -4.24 0.48 0.09 0.00 5.02 -0.53 -2.31 118.16 116.68 2jij n LYS 197 Ca -0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 2jij n LYS 197 Cb 0.30 -1.37 0.27 0.00 -0.02 0.00 0.00 35.03 34.21 2jij n LYS 197 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jij h ARG 198 N 0.00 0.00 0.00 1.97 3.08 -1.47 -3.44 114.38 114.52 2jij h ARG 198 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2jij h ARG 198 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2jij h ARG 198 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 2jij n GLY 199 N 1.30 3.83 3.72 0.04 0.00 -0.98 -4.47 105.19 108.64 2jij n GLY 199 Ca 0.04 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 2jij n GLY 199 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2jij s LEU 200 N 0.00 4.41 0.22 0.99 2.96 -1.17 -1.42 118.68 124.67 2jij s LEU 200 Ca 0.00 2.12 0.11 0.00 -0.22 0.00 0.00 54.13 56.14 2jij s LEU 200 Cb 0.00 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.05 2jij s LEU 200 CO 0.00 -0.42 -0.20 0.00 -1.32 0.00 0.00 176.35 174.41 2jij s ALA 201 N 0.54 2.43 -0.05 5.97 0.00 -1.26 -0.48 121.76 128.91 2jij s ALA 201 Ca 0.56 -1.70 0.04 0.00 0.00 0.00 0.00 51.96 50.86 2jij s ALA 201 Cb -0.31 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.57 2jij s ALA 201 CO 0.32 0.29 -0.15 0.08 0.00 0.00 0.00 175.76 176.30 2jij s VAL 202 N -2.23 1.29 0.01 0.00 1.01 -0.38 -4.97 120.40 115.13 2jij s VAL 202 Ca 0.23 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 2jij s VAL 202 Cb -0.05 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 2jij s VAL 202 CO 0.11 0.38 1.06 -0.54 0.00 0.00 0.00 175.10 176.10 2jij s LYS 203 N 0.19 4.50 -0.71 2.72 1.02 -1.26 -1.79 119.74 124.42 2jij s LYS 203 Ca -0.06 1.54 -0.26 0.00 0.02 0.00 0.00 55.97 57.20 2jij s LYS 203 Cb -0.12 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.72 2jij s LYS 203 CO 0.02 -0.15 1.90 -2.14 -0.92 0.00 0.00 175.35 174.07 2jij s PRO 204 N 1.14 2.59 -0.19 -1.68 0.02 -1.26 -4.96 135.00 130.65 2jij s PRO 204 Ca 0.54 0.32 -0.08 0.00 0.02 0.00 0.00 61.00 61.80 2jij s PRO 204 Cb -0.24 -4.62 -0.04 0.00 0.02 0.00 0.00 34.50 29.63 2jij s PRO 204 CO 0.27 -2.97 0.07 0.42 -0.33 0.00 0.00 177.00 174.47 2jij s ILE 205 N 9.49 4.81 -0.34 2.83 1.01 -1.26 -1.73 121.20 136.01 2jij s ILE 205 Ca 0.69 -0.02 -0.42 0.00 0.00 0.00 0.00 60.65 60.90 2jij s ILE 205 Cb -0.11 -3.18 -0.17 0.00 0.01 0.00 0.00 42.46 39.01 2jij s ILE 205 CO 0.14 0.44 1.74 1.17 0.00 0.00 0.00 174.94 178.42 2jij n LYS 206 N 3.74 0.86 0.00 2.79 4.81 -1.22 -1.85 118.16 127.29 2jij n LYS 206 Ca -0.16 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 2jij n LYS 206 Cb 0.52 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.61 2jij n LYS 206 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jij n GLY 207 N 4.31 1.03 3.82 3.14 0.00 -0.34 -4.88 105.19 112.27 2jij n GLY 207 Ca 0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.98 2jij n GLY 207 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jij s ASP 208 N -1.94 6.33 -0.01 1.61 1.01 -0.77 0.10 116.67 123.00 2jij s ASP 208 Ca 0.00 1.72 0.04 0.00 0.71 0.00 0.00 52.55 55.02 2jij s ASP 208 Cb 0.00 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 2jij s ASP 208 CO 0.00 -0.79 -0.14 0.00 0.21 0.00 0.00 175.17 174.45 2jij s ALA 209 N -2.42 1.15 -0.16 5.23 0.00 0.12 -1.82 121.76 123.85 2jij s ALA 209 Ca 0.62 -0.58 -0.13 0.00 0.00 0.00 0.00 51.96 51.86 2jij s ALA 209 Cb -0.13 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 2jij s ALA 209 CO 0.29 0.27 0.28 -1.17 0.00 0.00 0.00 175.76 175.44 2jij s LEU 210 N -0.28 4.24 -0.11 0.00 2.96 0.20 -0.33 118.68 125.37 2jij s LEU 210 Ca 0.04 0.49 0.02 0.00 -0.22 0.00 0.00 54.13 54.46 2jij s LEU 210 Cb -0.06 -2.35 0.01 0.00 0.50 0.00 0.00 46.19 44.29 2jij s LEU 210 CO -0.00 0.11 -0.15 -0.32 -1.32 0.00 0.00 176.35 174.66 2jij s MET 211 N 0.44 2.21 0.01 1.98 -2.45 0.67 0.61 119.30 122.77 2jij s MET 211 Ca 0.16 -0.56 -0.05 0.00 -1.25 0.00 0.00 55.69 53.99 2jij s MET 211 Cb -0.13 -1.88 -0.01 0.00 1.25 0.00 0.00 34.83 34.06 2jij s MET 211 CO 0.03 -0.07 0.09 -0.59 1.05 0.00 0.00 175.02 175.54 2jij s PHE 212 N 1.00 0.13 -0.02 4.11 -0.71 -0.54 0.68 117.98 122.62 2jij s PHE 212 Ca -0.06 -0.31 -0.22 0.00 -1.04 0.00 0.00 56.93 55.30 2jij s PHE 212 Cb -0.15 -0.10 -0.05 0.00 -1.21 0.00 0.00 43.02 41.51 2jij s PHE 212 CO -0.02 -0.28 0.66 0.71 -1.34 0.00 0.00 175.22 174.94 2jij s TYR 213 N -1.69 3.65 -1.20 3.49 2.02 -0.17 -1.63 117.35 121.82 2jij s TYR 213 Ca -0.13 1.25 0.16 0.00 -0.37 0.00 0.00 57.07 57.98 2jij s TYR 213 Cb -0.07 -2.71 -0.07 0.00 -0.40 0.00 0.00 41.96 38.72 2jij s TYR 213 CO -0.00 0.24 0.78 -1.13 -1.57 0.00 0.00 175.55 173.87 2jij n SER 214 N 3.12 1.29 -4.67 2.29 3.41 0.30 -4.38 113.62 114.98 2jij n SER 214 Ca -0.04 -1.14 -0.27 0.00 -0.26 0.00 0.00 58.87 57.15 2jij n SER 214 Cb 0.51 0.67 -0.08 0.00 -0.26 0.00 0.00 64.21 65.05 2jij n SER 214 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jij s LEU 215 N -2.30 3.35 0.78 1.04 1.43 -1.25 -1.09 118.68 120.64 2jij s LEU 215 Ca 0.11 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 2jij s LEU 215 Cb 0.13 -2.02 0.06 0.00 0.03 0.00 0.00 46.19 44.38 2jij s LEU 215 CO 0.49 0.11 1.11 -0.54 0.23 0.00 0.00 176.35 177.75 2jij s LYS 216 N -2.79 2.20 0.28 1.70 1.02 0.10 -4.78 119.74 117.48 2jij s LYS 216 Ca 0.27 0.53 0.03 0.00 0.02 0.00 0.00 55.97 56.82 2jij s LYS 216 Cb -0.10 -1.94 0.65 0.00 -0.52 0.00 0.00 37.83 35.92 2jij s LYS 216 CO 0.18 -1.51 1.76 -1.35 -0.92 0.00 0.00 175.35 173.51 2jij h PRO 217 N -1.01 0.65 0.00 -1.68 0.11 -2.01 0.67 132.00 128.74 2jij h PRO 217 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2jij h PRO 217 Cb 1.27 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2jij h PRO 217 CO 0.61 0.43 0.00 -0.40 -0.21 0.00 0.00 178.00 178.43 2jij n ASP 218 N -4.84 0.00 0.00 -2.05 5.75 -1.26 -4.87 116.55 109.28 2jij n ASP 218 Ca 0.21 -0.42 0.00 0.00 -0.01 0.00 0.00 54.79 54.57 2jij n ASP 218 Cb 0.52 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 2jij n ASP 218 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jij n GLY 219 N 0.12 0.95 3.78 6.12 0.00 0.23 -5.08 105.19 111.32 2jij n GLY 219 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2jij n GLY 219 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jij s SER 220 N -2.80 4.91 0.31 1.61 1.04 -1.26 -4.70 113.70 112.80 2jij s SER 220 Ca 0.00 1.79 -0.29 0.00 0.48 0.00 0.00 55.95 57.93 2jij s SER 220 Cb 0.00 -2.52 -0.10 0.00 0.10 0.00 0.00 66.02 63.50 2jij s SER 220 CO 0.00 -1.76 1.40 0.20 0.98 0.00 0.00 173.24 174.06 2jij s ASN 221 N -3.35 6.63 -0.47 7.02 0.01 -1.26 0.02 114.94 123.54 2jij s ASN 221 Ca 0.61 2.76 -0.11 0.00 -0.71 0.00 0.00 52.86 55.41 2jij s ASN 221 Cb -0.17 -2.64 0.11 0.00 0.41 0.00 0.00 41.25 38.96 2jij s ASN 221 CO 0.52 -0.67 0.36 -0.62 -1.51 0.00 0.00 177.10 175.18 2jij s ASP 222 N -0.07 5.82 0.00 -1.22 2.15 -0.25 -4.64 116.67 118.46 2jij s ASP 222 Ca 0.54 -1.76 0.10 0.00 0.43 0.00 0.00 52.55 51.86 2jij s ASP 222 Cb -0.42 -2.06 0.50 0.00 -0.30 0.00 0.00 42.92 40.64 2jij s ASP 222 CO 0.51 -0.69 1.18 -0.81 -0.17 0.00 0.00 175.17 175.20 2jij n PRO 223 N 5.00 0.15 0.00 4.34 -0.04 -1.26 -0.96 135.00 142.23 2jij n PRO 223 Ca -0.10 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 2jij n PRO 223 Cb 0.41 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.87 2jij n PRO 223 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jij n ALA 224 N -1.27 2.06 1.22 0.55 0.00 -1.26 -3.11 120.51 118.70 2jij n ALA 224 Ca 0.05 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.53 2jij n ALA 224 Cb 0.07 -1.37 0.39 0.00 0.00 0.00 0.00 19.45 18.55 2jij n ALA 224 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jij n SER 225 N -1.49 1.85 -4.60 0.00 3.41 -0.13 -4.02 113.62 108.64 2jij n SER 225 Ca 0.06 -1.68 -0.49 0.00 -0.26 0.00 0.00 58.87 56.50 2jij n SER 225 Cb 0.26 -0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.09 2jij n SER 225 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2jij n LEU 226 N 0.44 1.85 -3.65 1.04 7.94 -1.18 -4.79 117.00 118.65 2jij n LEU 226 Ca 0.17 1.13 -0.15 0.00 -1.11 0.00 0.00 56.01 56.06 2jij n LEU 226 Cb 0.38 -1.25 -0.08 0.00 0.53 0.00 0.00 43.42 43.00 2jij n LEU 226 CO 0.15 -1.09 0.22 -1.38 -1.11 0.00 0.00 177.39 174.18 2jij s HIS 227 N 0.00 -0.45 0.26 1.96 -3.43 0.34 -3.98 115.29 110.00 2jij s HIS 227 Ca 0.75 0.83 0.03 0.00 -0.80 0.00 0.00 55.06 55.86 2jij s HIS 227 Cb -0.83 0.24 -0.04 0.00 -1.43 0.00 0.00 32.58 30.52 2jij s HIS 227 CO 0.50 -0.45 0.18 0.20 -2.00 0.00 0.00 174.74 173.17 2jij s GLY 228 N -0.95 1.86 -0.27 -1.38 0.00 0.17 -0.71 107.32 106.04 2jij s GLY 228 Ca -0.10 -1.84 -0.02 0.00 0.00 0.00 0.00 44.72 42.76 2jij s GLY 228 CO 0.06 -1.46 -0.03 -0.45 0.00 0.00 0.00 173.10 171.21 2jij s SER 229 N -3.27 4.53 0.60 1.64 0.15 -0.10 -0.77 113.70 116.47 2jij s SER 229 Ca 0.39 -0.98 -0.20 0.00 0.70 0.00 0.00 55.95 55.87 2jij s SER 229 Cb 0.05 -1.69 -0.03 0.00 -1.71 0.00 0.00 66.02 62.64 2jij s SER 229 CO 0.18 -0.17 1.30 0.00 1.20 0.00 0.00 173.24 175.75 2jij n PRO 231 N -1.50 1.21 -3.77 0.00 -0.02 -1.26 -3.27 135.00 126.40 2jij n PRO 231 Ca 0.13 0.43 -0.36 0.00 -2.02 0.00 0.00 63.50 61.68 2jij n PRO 231 Cb 0.47 -1.88 -0.10 0.00 -0.02 0.00 0.00 33.50 31.97 2jij n PRO 231 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2jij s THR 232 N -0.46 5.05 0.00 3.45 2.01 -1.06 -0.68 115.64 123.96 2jij s THR 232 Ca 0.69 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.76 2jij s THR 232 Cb -0.80 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 68.37 2jij s THR 232 CO 0.54 0.37 0.00 0.18 -0.69 0.00 0.00 174.62 175.03 2jij n LEU 233 N 4.20 1.70 -3.68 4.42 4.77 -0.45 -1.07 117.00 126.88 2jij n LEU 233 Ca -0.16 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.68 2jij n LEU 233 Cb 0.52 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 2jij n LEU 233 CO 0.34 0.25 0.19 -0.54 -1.33 0.00 0.00 177.39 176.31 2jij s LYS 234 N -1.80 0.70 0.01 3.23 1.02 -1.13 -4.75 119.74 117.02 2jij s LYS 234 Ca 0.00 0.39 0.00 0.00 0.02 0.00 0.00 55.97 56.38 2jij s LYS 234 Cb 0.00 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.64 2jij s LYS 234 CO 0.00 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.69 2jij n GLY 235 N 2.07 -0.01 2.85 -3.33 0.00 -1.26 0.11 105.19 105.62 2jij n GLY 235 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 2jij n GLY 235 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jij s ASP 236 N -5.11 2.93 -0.36 1.61 1.01 -1.26 -4.34 116.67 111.15 2jij s ASP 236 Ca 0.00 -0.75 -0.13 0.00 0.71 0.00 0.00 52.55 52.38 2jij s ASP 236 Cb 0.00 -0.85 -0.00 0.00 1.01 0.00 0.00 42.92 43.07 2jij s ASP 236 CO 0.00 -0.22 0.25 -0.75 0.21 0.00 0.00 175.17 174.66 2jij s LYS 237 N 1.67 3.31 -0.17 8.23 2.20 -0.44 -4.63 119.74 129.92 2jij s LYS 237 Ca -0.00 -0.77 -0.02 0.00 -0.36 0.00 0.00 55.97 54.81 2jij s LYS 237 Cb -0.16 -3.85 -0.01 0.00 -1.51 0.00 0.00 37.83 32.30 2jij s LYS 237 CO -0.07 -0.54 -0.09 -1.58 -0.36 0.00 0.00 175.35 172.71 2jij s TRP 238 N 1.70 2.90 0.07 4.03 0.52 -1.26 0.44 118.94 127.33 2jij s TRP 238 Ca 0.06 -0.79 0.03 0.00 0.02 0.00 0.00 56.10 55.42 2jij s TRP 238 Cb -0.18 -1.97 -0.03 0.00 -1.15 0.00 0.00 33.47 30.14 2jij s TRP 238 CO 0.10 -0.37 -0.10 -1.54 0.02 0.00 0.00 176.95 175.06 2jij s SER 239 N 0.88 1.22 -0.08 2.95 1.04 -0.34 -0.21 113.70 119.17 2jij s SER 239 Ca -0.02 -0.66 0.05 0.00 0.48 0.00 0.00 55.95 55.79 2jij s SER 239 Cb -0.15 0.01 -0.00 0.00 0.10 0.00 0.00 66.02 65.98 2jij s SER 239 CO 0.00 -0.21 -0.22 0.00 0.98 0.00 0.00 173.24 173.80 2jij s ALA 240 N -1.77 1.99 -0.15 5.32 0.00 0.49 -0.78 121.76 126.86 2jij s ALA 240 Ca -0.03 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 51.00 2jij s ALA 240 Cb -0.07 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 2jij s ALA 240 CO 0.00 0.31 -0.05 0.99 0.00 0.00 0.00 175.76 177.02 2jij s THR 241 N 0.17 3.80 -0.25 0.00 2.01 0.11 0.47 115.64 121.95 2jij s THR 241 Ca -0.12 -0.39 -0.02 0.00 0.31 0.00 0.00 61.69 61.47 2jij s THR 241 Cb -0.16 -2.65 0.03 0.00 0.01 0.00 0.00 72.50 69.73 2jij s THR 241 CO 0.06 0.50 -0.05 -0.75 -0.69 0.00 0.00 174.62 173.69 2jij s LYS 242 N 0.28 2.81 -0.16 4.92 2.47 0.74 -2.31 119.74 128.48 2jij s LYS 242 Ca -0.04 -1.00 -0.08 0.00 -1.56 0.00 0.00 55.97 53.29 2jij s LYS 242 Cb -0.14 -3.01 -0.04 0.00 -1.46 0.00 0.00 37.83 33.17 2jij s LYS 242 CO 0.03 -0.42 0.11 -1.58 0.16 0.00 0.00 175.35 173.65 2jij s TRP 243 N 1.32 3.43 -0.05 4.03 0.51 -1.26 -0.63 118.94 126.29 2jij s TRP 243 Ca -0.00 0.34 0.05 0.00 -2.12 0.00 0.00 56.10 54.37 2jij s TRP 243 Cb -0.17 -2.04 -0.00 0.00 -0.81 0.00 0.00 33.47 30.45 2jij s TRP 243 CO -0.04 0.44 -0.19 0.42 -0.51 0.00 0.00 176.95 177.07 2jij s ILE 244 N -0.23 1.57 0.27 2.03 1.01 0.06 -1.79 121.20 124.12 2jij s ILE 244 Ca 0.10 -0.79 0.05 0.00 0.00 0.00 0.00 60.65 60.01 2jij s ILE 244 Cb -0.12 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 2jij s ILE 244 CO 0.01 0.45 0.40 -1.00 0.00 0.00 0.00 174.94 174.80 2jij s HIS 245 N 0.03 3.34 0.33 3.97 3.76 0.10 0.36 115.29 127.20 2jij s HIS 245 Ca -0.05 -0.07 0.13 0.00 -0.15 0.00 0.00 55.06 54.92 2jij s HIS 245 Cb -0.12 -1.71 0.64 0.00 1.11 0.00 0.00 32.58 32.49 2jij s HIS 245 CO 0.03 0.29 1.77 -0.39 -0.85 0.00 0.00 174.74 175.58 2jij h VAL 246 N 1.07 1.27 -3.09 -0.90 -1.51 -0.99 -3.44 116.25 108.66 2jij h VAL 246 Ca -0.50 -1.50 -0.43 0.00 -1.23 0.00 0.00 66.70 63.04 2jij h VAL 246 Cb 1.24 1.82 -0.14 0.00 -2.13 0.00 0.00 31.29 32.08 2jij h VAL 246 CO 0.58 0.42 -0.63 0.00 -1.23 0.00 0.00 177.57 176.72 2jij s ALA 247 N -3.99 2.11 0.52 5.19 0.00 0.24 -5.03 121.76 120.80 2jij s ALA 247 Ca -0.02 -1.93 -0.22 0.00 0.00 0.00 0.00 51.96 49.79 2jij s ALA 247 Cb 0.14 0.61 -0.06 0.00 0.00 0.00 0.00 23.12 23.81 2jij s ALA 247 CO 0.73 -0.29 1.28 -2.14 0.00 0.00 0.00 175.76 175.34 2jij s PRO 248 N -3.88 3.34 0.51 0.00 0.02 -1.26 -4.46 135.00 129.27 2jij s PRO 248 Ca 0.34 2.05 -0.08 0.00 0.02 0.00 0.00 61.00 63.33 2jij s PRO 248 Cb 0.07 -2.29 -0.04 0.00 0.02 0.00 0.00 34.50 32.26 2jij s PRO 248 CO 0.13 -0.97 0.86 0.42 -0.33 0.00 0.00 177.00 177.11 2jij s ILE 249 N -1.40 4.83 0.00 2.83 1.01 -0.59 -3.61 121.20 124.26 2jij s ILE 249 Ca 0.69 0.47 0.00 0.00 0.00 0.00 0.00 60.65 61.81 2jij s ILE 249 Cb -0.36 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.26 2jij s ILE 249 CO 0.42 -0.90 0.00 0.61 0.00 0.00 0.00 174.94 175.08 2jij n GLY 250 N -2.27 2.66 0.00 6.18 0.00 0.81 -4.91 105.19 107.65 2jij n GLY 250 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2jij n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93