#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j16 h ILE 55 N 0.00 0.96 -3.49 5.15 2.04 -2.01 -3.41 117.51 116.74 2j16 h ILE 55 Ca 0.00 -2.73 -0.71 0.00 1.00 0.00 0.00 64.86 62.42 2j16 h ILE 55 Cb 0.00 2.55 -0.33 0.00 -0.74 0.00 0.00 36.82 38.30 2j16 h ILE 55 CO 0.00 0.68 -0.38 -0.31 0.00 0.00 0.00 178.15 178.14 2j16 s TYR 56 N -2.61 3.49 0.02 1.37 2.02 -1.26 -4.99 117.35 115.40 2j16 s TYR 56 Ca -0.08 -2.38 -0.24 0.00 -0.37 0.00 0.00 57.07 54.00 2j16 s TYR 56 Cb 0.08 -3.33 -0.17 0.00 -0.40 0.00 0.00 41.96 38.13 2j16 s TYR 56 CO 0.82 -0.93 1.40 -1.00 -1.57 0.00 0.00 175.55 174.27 2j16 h PRO 57 N 7.70 0.08 0.00 -1.71 0.13 -2.02 -2.90 132.00 133.29 2j16 h PRO 57 Ca -0.08 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2j16 h PRO 57 Cb 1.01 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2j16 h PRO 57 CO 0.75 0.43 0.00 1.63 -0.23 0.00 0.00 178.00 180.58 2j16 n LYS 58 N -4.85 0.22 0.00 0.86 4.01 -1.26 -5.00 118.16 112.15 2j16 n LYS 58 Ca -0.07 0.14 0.00 0.00 -0.51 0.00 0.00 58.31 57.86 2j16 n LYS 58 Cb 0.22 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.24 2j16 n LYS 58 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2j16 n GLY 59 N 0.07 -1.51 3.59 0.72 0.00 -1.10 -4.98 105.19 101.99 2j16 n GLY 59 Ca 0.07 -1.97 -0.51 0.00 0.00 0.00 0.00 46.02 43.61 2j16 n GLY 59 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2j16 n PRO 60 N 0.00 1.20 -3.65 1.61 -0.02 -1.26 -4.84 135.00 128.04 2j16 n PRO 60 Ca 0.00 0.43 -0.37 0.00 -2.02 0.00 0.00 63.50 61.54 2j16 n PRO 60 Cb 0.00 -2.07 -0.10 0.00 -0.02 0.00 0.00 33.50 31.31 2j16 n PRO 60 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2j16 s LEU 61 N 0.52 4.04 0.07 2.45 2.96 -0.44 -4.88 118.68 123.40 2j16 s LEU 61 Ca 0.83 0.05 -0.31 0.00 -0.22 0.00 0.00 54.13 54.48 2j16 s LEU 61 Cb -0.93 -2.10 -0.08 0.00 0.50 0.00 0.00 46.19 43.58 2j16 s LEU 61 CO 0.47 0.02 1.68 -0.22 -1.32 0.00 0.00 176.35 176.98 2j16 s LEU 62 N 1.34 4.37 0.00 -0.68 2.96 -1.26 -1.19 118.68 124.21 2j16 s LEU 62 Ca 0.07 2.52 0.00 0.00 -0.22 0.00 0.00 54.13 56.50 2j16 s LEU 62 Cb -0.15 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.98 2j16 s LEU 62 CO 0.07 -0.91 0.00 0.52 -1.32 0.00 0.00 176.35 174.71 2j16 n VAL 63 N 4.76 0.00 -4.12 1.68 0.31 -0.26 -4.96 118.33 115.74 2j16 n VAL 63 Ca 0.16 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.34 2j16 n VAL 63 Cb 0.40 -0.92 -0.13 0.00 -0.91 0.00 0.00 33.84 32.28 2j16 n VAL 63 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2j16 s LEU 64 N -4.01 2.11 0.53 7.52 1.43 -1.15 -4.95 118.68 120.16 2j16 s LEU 64 Ca 0.00 -0.27 0.27 0.00 -1.03 0.00 0.00 54.13 53.10 2j16 s LEU 64 Cb 0.00 -0.23 1.42 0.00 0.03 0.00 0.00 46.19 47.41 2j16 s LEU 64 CO 0.00 -0.04 1.95 1.55 0.23 0.00 0.00 176.35 180.04 2j16 h PRO 65 N 5.43 0.01 -1.20 1.29 0.13 -1.96 -1.93 132.00 133.77 2j16 h PRO 65 Ca -0.31 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2j16 h PRO 65 Cb 1.20 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2j16 h PRO 65 CO 0.46 0.01 0.00 -0.85 -0.23 0.00 0.00 178.00 177.39 2j16 n GLU 66 N -4.34 0.83 -3.60 0.86 0.00 -1.26 -4.80 120.64 108.33 2j16 n GLU 66 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 57.16 57.07 2j16 n GLU 66 Cb 0.74 -1.09 0.07 0.00 0.00 0.00 0.00 31.44 31.17 2j16 n GLU 66 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2j16 n LYS 67 N 0.62 -7.15 -3.95 3.44 5.02 -0.73 -4.85 118.16 110.57 2j16 n LYS 67 Ca 0.00 0.80 -0.35 0.00 -2.02 0.00 0.00 58.31 56.74 2j16 n LYS 67 Cb 0.41 -5.79 -0.09 0.00 -0.02 0.00 0.00 35.03 29.54 2j16 n LYS 67 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2j16 s ILE 68 N -3.35 4.97 0.22 -0.18 1.01 -1.21 -1.83 121.20 120.83 2j16 s ILE 68 Ca 0.40 0.03 0.10 0.00 0.00 0.00 0.00 60.65 61.18 2j16 s ILE 68 Cb -0.18 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 2j16 s ILE 68 CO 0.75 0.48 -0.15 -0.31 0.00 0.00 0.00 174.94 175.70 2j16 s TYR 69 N 0.18 2.46 -0.04 3.97 1.51 0.09 -1.10 117.35 124.43 2j16 s TYR 69 Ca 0.06 -0.29 0.03 0.00 -1.01 0.00 0.00 57.07 55.86 2j16 s TYR 69 Cb -0.12 -1.16 0.00 0.00 -0.11 0.00 0.00 41.96 40.58 2j16 s TYR 69 CO -0.00 0.57 -0.13 -1.17 -1.11 0.00 0.00 175.55 173.71 2j16 s LEU 70 N -3.06 1.80 0.22 -1.29 2.96 -0.34 -1.27 118.68 117.69 2j16 s LEU 70 Ca 0.26 -0.29 -0.07 0.00 -0.22 0.00 0.00 54.13 53.81 2j16 s LEU 70 Cb -0.07 -0.80 -0.02 0.00 0.50 0.00 0.00 46.19 45.80 2j16 s LEU 70 CO 0.14 0.09 0.31 -0.47 -1.32 0.00 0.00 176.35 175.10 2j16 s TYR 71 N 0.26 0.71 0.00 5.38 5.04 -0.81 -1.33 117.35 126.60 2j16 s TYR 71 Ca -0.07 -1.01 0.00 0.00 -2.44 0.00 0.00 57.07 53.55 2j16 s TYR 71 Cb -0.12 -0.16 0.00 0.00 0.35 0.00 0.00 41.96 42.03 2j16 s TYR 71 CO 0.02 -0.81 0.00 -1.13 -1.34 0.00 0.00 175.55 172.29 2j16 n SER 72 N -0.31 0.00 -4.67 4.32 3.41 -1.26 -3.34 113.62 111.77 2j16 n SER 72 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.18 2j16 n SER 72 Cb 0.64 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.56 2j16 n SER 72 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2j16 s GLU 73 N 0.38 4.20 0.48 4.33 2.12 -0.10 -4.39 118.70 125.73 2j16 s GLU 73 Ca 0.00 2.10 -0.03 0.00 0.36 0.00 0.00 54.97 57.40 2j16 s GLU 73 Cb 0.00 -3.88 -0.01 0.00 0.26 0.00 0.00 34.13 30.49 2j16 s GLU 73 CO 0.00 -0.79 0.74 -1.25 -0.54 0.00 0.00 175.26 173.42 2j16 s PRO 74 N 3.68 3.22 0.66 4.30 0.04 -1.26 -5.08 135.00 140.56 2j16 s PRO 74 Ca 0.70 -0.17 -0.02 0.00 0.04 0.00 0.00 61.00 61.56 2j16 s PRO 74 Cb -0.32 -2.46 0.08 0.00 0.04 0.00 0.00 34.50 31.84 2j16 s PRO 74 CO 0.27 -0.29 0.92 0.95 0.04 0.00 0.00 177.00 178.89 2j16 s THR 75 N -2.67 2.37 0.14 1.26 -4.23 -1.26 -4.99 115.64 106.26 2j16 s THR 75 Ca 0.48 -0.54 -0.18 0.00 -1.18 0.00 0.00 61.69 60.27 2j16 s THR 75 Cb -0.10 -2.83 -0.02 0.00 1.34 0.00 0.00 72.50 70.89 2j16 s THR 75 CO 0.41 0.00 1.79 0.58 -0.54 0.00 0.00 174.62 176.86 2j16 h VAL 76 N -0.33 1.05 -0.34 2.29 2.07 -1.99 -2.64 116.25 116.36 2j16 h VAL 76 Ca -0.40 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 2j16 h VAL 76 Cb 1.29 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 2j16 h VAL 76 CO 0.49 0.07 0.16 0.11 0.02 0.00 0.00 177.57 178.42 2j16 h LYS 77 N 0.38 0.46 0.00 1.57 6.56 -1.97 -1.66 116.57 121.92 2j16 h LYS 77 Ca 0.12 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 2j16 h LYS 77 Cb -0.02 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.55 2j16 h LYS 77 CO -0.04 0.36 0.00 0.93 -2.06 0.00 0.00 179.45 178.63 2j16 h GLU 78 N 0.47 0.00 0.00 3.15 5.08 -1.86 -2.84 114.58 118.58 2j16 h GLU 78 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2j16 h GLU 78 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2j16 h GLU 78 CO -0.02 0.00 -0.64 -0.07 -1.00 0.00 0.00 179.01 177.28 2j16 h LEU 79 N 0.00 0.00 -0.97 1.33 3.38 -1.20 -3.40 115.31 114.45 2j16 h LEU 79 Ca 0.00 -0.11 0.18 0.00 0.09 0.00 0.00 57.88 58.04 2j16 h LEU 79 Cb 0.45 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.02 2j16 h LEU 79 CO 0.00 0.05 -0.30 0.25 0.09 0.00 0.00 178.44 178.53 2j16 h LEU 80 N 0.00 -1.11 0.00 1.67 5.85 -1.50 -1.93 115.31 118.29 2j16 h LEU 80 Ca 0.00 0.30 0.00 0.00 0.84 0.00 0.00 57.88 59.02 2j16 h LEU 80 Cb 0.86 0.66 0.00 0.00 0.37 0.00 0.00 40.66 42.55 2j16 h LEU 80 CO 0.00 -0.31 0.00 -2.65 -0.34 0.00 0.00 178.44 175.14 2j16 n PRO 81 N -5.56 0.22 -4.11 5.25 -0.02 -1.26 -4.85 135.00 124.67 2j16 n PRO 81 Ca 0.13 0.14 -0.33 0.00 -2.02 0.00 0.00 63.50 61.42 2j16 n PRO 81 Cb 0.45 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.36 2j16 n PRO 81 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2j16 s PHE 82 N -2.57 3.30 -0.14 6.00 0.08 -0.73 -4.88 117.98 119.04 2j16 s PHE 82 Ca 0.15 0.23 -0.18 0.00 0.12 0.00 0.00 56.93 57.25 2j16 s PHE 82 Cb 0.11 -1.76 -0.24 0.00 -0.57 0.00 0.00 43.02 40.56 2j16 s PHE 82 CO 0.24 0.56 0.44 -0.44 -0.10 0.00 0.00 175.22 175.92 2j16 h ASP 83 N 4.25 0.23 -4.23 1.36 3.32 -1.67 -3.42 116.42 116.26 2j16 h ASP 83 Ca -0.50 -0.77 -0.69 0.00 0.02 0.00 0.00 57.03 55.10 2j16 h ASP 83 Cb 1.19 -0.07 -0.28 0.00 0.22 0.00 0.00 39.33 40.38 2j16 h ASP 83 CO 0.61 1.55 -0.85 -0.69 -1.72 0.00 0.00 179.24 178.15 2j16 s VAL 84 N -2.43 2.41 -0.07 -1.35 1.01 -0.98 -0.45 120.40 118.55 2j16 s VAL 84 Ca -0.23 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 60.79 2j16 s VAL 84 Cb 0.04 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.56 2j16 s VAL 84 CO 0.70 0.58 -0.04 -0.69 0.00 0.00 0.00 175.10 175.65 2j16 s VAL 85 N -0.49 0.63 -0.30 2.92 1.01 -0.75 -1.26 120.40 122.15 2j16 s VAL 85 Ca 0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 2j16 s VAL 85 Cb -0.11 -0.69 0.04 0.00 0.00 0.00 0.00 36.38 35.62 2j16 s VAL 85 CO 0.01 0.28 0.02 -0.63 0.00 0.00 0.00 175.10 174.78 2j16 s ILE 86 N 1.42 3.27 -0.43 2.22 1.01 0.32 -0.47 121.20 128.53 2j16 s ILE 86 Ca -0.03 -1.19 -0.18 0.00 0.00 0.00 0.00 60.65 59.25 2j16 s ILE 86 Cb -0.13 -2.82 0.03 0.00 0.01 0.00 0.00 42.46 39.54 2j16 s ILE 86 CO -0.03 -0.06 0.50 0.21 0.00 0.00 0.00 174.94 175.56 2j16 s ASN 87 N 1.33 6.22 -0.30 3.58 3.84 0.35 -1.96 114.94 128.00 2j16 s ASN 87 Ca -0.03 -0.65 0.11 0.00 0.21 0.00 0.00 52.86 52.50 2j16 s ASN 87 Cb -0.19 -2.25 0.66 0.00 -0.55 0.00 0.00 41.25 38.92 2j16 s ASN 87 CO -0.00 -0.65 1.68 1.33 -2.79 0.00 0.00 177.10 176.66 2j16 n VAL 88 N 5.54 2.76 -4.02 -5.21 0.24 -0.57 -0.33 118.33 116.74 2j16 n VAL 88 Ca -0.06 -1.91 -0.30 0.00 -2.04 0.00 0.00 64.34 60.03 2j16 n VAL 88 Cb 0.47 -0.34 -0.16 0.00 -1.47 0.00 0.00 33.84 32.34 2j16 n VAL 88 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2j16 s ALA 89 N -3.03 1.90 0.25 2.33 0.00 -1.15 -3.62 121.76 118.44 2j16 s ALA 89 Ca 0.51 -0.97 -0.05 0.00 0.00 0.00 0.00 51.96 51.45 2j16 s ALA 89 Cb 0.42 -1.10 0.47 0.00 0.00 0.00 0.00 23.12 22.91 2j16 s ALA 89 CO 0.10 -0.46 1.68 1.49 0.00 0.00 0.00 175.76 178.57 2j16 h GLU 90 N 8.03 0.23 -0.03 0.00 4.57 -1.68 -2.44 114.58 123.26 2j16 h GLU 90 Ca -0.37 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 2j16 h GLU 90 Cb 1.13 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.67 2j16 h GLU 90 CO 0.52 0.15 0.00 -0.85 -1.18 0.00 0.00 179.01 177.66 2j16 n GLU 91 N -5.19 1.54 -3.18 1.92 0.00 -1.26 -4.79 120.64 109.68 2j16 n GLU 91 Ca 0.14 -0.79 -0.39 0.00 0.00 0.00 0.00 57.16 56.12 2j16 n GLU 91 Cb 0.47 -1.47 -0.05 0.00 0.00 0.00 0.00 31.44 30.39 2j16 n GLU 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2j16 s ALA 92 N -1.98 3.41 0.21 -1.84 0.00 -0.92 -5.02 121.76 115.62 2j16 s ALA 92 Ca 0.39 -0.03 -0.32 0.00 0.00 0.00 0.00 51.96 52.00 2j16 s ALA 92 Cb 0.21 -2.80 -0.14 0.00 0.00 0.00 0.00 23.12 20.39 2j16 s ALA 92 CO 0.33 -0.04 1.43 -1.71 0.00 0.00 0.00 175.76 175.77 2j16 n ASN 93 N 3.69 2.74 -4.68 0.00 5.15 -1.26 -4.92 115.26 115.98 2j16 n ASN 93 Ca -0.04 1.13 -0.43 0.00 -0.60 0.00 0.00 54.58 54.64 2j16 n ASN 93 Cb 0.51 -1.41 -0.02 0.00 -0.53 0.00 0.00 39.78 38.33 2j16 n ASN 93 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2j16 s ASP 94 N 0.42 7.18 0.00 1.20 2.15 -1.26 -4.93 116.67 121.43 2j16 s ASP 94 Ca 0.71 1.45 0.03 0.00 0.43 0.00 0.00 52.55 55.18 2j16 s ASP 94 Cb -0.67 -2.54 0.09 0.00 -0.30 0.00 0.00 42.92 39.49 2j16 s ASP 94 CO 0.47 -0.52 1.04 0.18 -0.17 0.00 0.00 175.17 176.16 2j16 n LEU 95 N 5.49 2.19 -0.28 -1.34 4.77 -1.26 -4.74 117.00 121.83 2j16 n LEU 95 Ca 0.10 -1.91 0.19 0.00 -0.03 0.00 0.00 56.01 54.35 2j16 n LEU 95 Cb 0.48 -0.06 0.48 0.00 -2.33 0.00 0.00 43.42 41.98 2j16 n LEU 95 CO 0.52 0.55 1.22 0.08 -1.33 0.00 0.00 177.39 178.42 2j16 h ARG 96 N 0.61 0.45 0.00 3.23 0.11 -1.91 -0.68 114.38 116.19 2j16 h ARG 96 Ca 0.00 -0.03 -0.11 0.00 0.10 0.00 0.00 59.98 59.94 2j16 h ARG 96 Cb 0.53 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 31.50 2j16 h ARG 96 CO 0.00 0.30 -0.52 0.52 0.10 0.00 0.00 179.97 180.37 2j16 h MET 97 N 0.46 0.00 -0.00 0.08 2.86 -1.99 -2.85 114.93 113.50 2j16 h MET 97 Ca 0.52 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.16 2j16 h MET 97 Cb 1.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.87 2j16 h MET 97 CO -0.23 0.52 -0.22 1.04 1.06 0.00 0.00 176.91 179.08 2j16 n GLN 98 N -3.63 0.24 -3.34 1.72 3.00 -0.29 -4.41 117.38 110.68 2j16 n GLN 98 Ca -0.01 -0.09 -0.26 0.00 -0.01 0.00 0.00 57.00 56.63 2j16 n GLN 98 Cb 0.59 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 29.25 2j16 n GLN 98 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 2j16 n VAL 99 N -1.30 -0.56 0.23 5.09 0.24 -1.03 -4.98 118.33 116.02 2j16 n VAL 99 Ca 0.09 -3.90 0.06 0.00 -2.04 0.00 0.00 64.34 58.56 2j16 n VAL 99 Cb 0.32 -1.85 0.56 0.00 -1.47 0.00 0.00 33.84 31.40 2j16 n VAL 99 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2j16 h PRO 100 N 4.81 0.02 0.00 7.34 0.13 -1.77 -2.84 132.00 139.70 2j16 h PRO 100 Ca 0.17 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.25 2j16 h PRO 100 Cb 0.87 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 2j16 h PRO 100 CO 0.46 0.11 -0.25 0.00 -0.23 0.00 0.00 178.00 178.09 2j16 h ALA 101 N 1.90 1.41 -2.67 -0.56 0.00 -1.94 -3.44 119.26 113.96 2j16 h ALA 101 Ca 0.00 -0.23 -0.62 0.00 0.00 0.00 0.00 54.91 54.07 2j16 h ALA 101 Cb 0.16 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2j16 h ALA 101 CO 0.01 0.31 -0.29 0.54 0.00 0.00 0.00 179.25 179.82 2j16 s VAL 102 N -4.27 5.17 -0.71 0.00 0.11 -1.07 -4.96 120.40 114.66 2j16 s VAL 102 Ca -0.03 0.53 -0.27 0.00 -2.93 0.00 0.00 61.98 59.28 2j16 s VAL 102 Cb 0.14 -3.62 0.03 0.00 -1.53 0.00 0.00 36.38 31.40 2j16 s VAL 102 CO 0.67 0.48 1.26 -1.61 -3.33 0.00 0.00 175.10 172.57 2j16 s GLU 103 N -1.39 3.24 -0.19 1.54 2.02 0.41 -4.96 118.70 119.36 2j16 s GLU 103 Ca 0.25 -0.18 -0.09 0.00 0.02 0.00 0.00 54.97 54.98 2j16 s GLU 103 Cb -0.15 -4.16 -0.04 0.00 0.10 0.00 0.00 34.13 29.88 2j16 s GLU 103 CO 0.13 -2.07 0.09 -0.47 0.02 0.00 0.00 175.26 172.97 2j16 s TYR 104 N 5.59 3.31 0.02 1.61 6.14 -1.26 -1.82 117.35 130.95 2j16 s TYR 104 Ca 0.36 0.17 0.09 0.00 0.64 0.00 0.00 57.07 58.33 2j16 s TYR 104 Cb -0.08 -2.12 -0.03 0.00 0.42 0.00 0.00 41.96 40.15 2j16 s TYR 104 CO 0.16 0.20 -0.26 -1.01 0.64 0.00 0.00 175.55 175.28 2j16 s HIS 105 N 0.41 2.33 -0.25 4.97 3.76 0.38 -4.99 115.29 121.90 2j16 s HIS 105 Ca 0.05 -0.42 -0.01 0.00 -0.15 0.00 0.00 55.06 54.53 2j16 s HIS 105 Cb -0.12 -1.43 0.07 0.00 1.11 0.00 0.00 32.58 32.22 2j16 s HIS 105 CO -0.00 0.07 0.04 -1.58 -0.85 0.00 0.00 174.74 172.42 2j16 s HIS 106 N -0.74 1.56 -0.21 1.40 2.46 -1.26 -0.50 115.29 118.00 2j16 s HIS 106 Ca 0.11 -1.37 -0.09 0.00 0.47 0.00 0.00 55.06 54.18 2j16 s HIS 106 Cb -0.10 -1.40 -0.04 0.00 -0.13 0.00 0.00 32.58 30.91 2j16 s HIS 106 CO 0.01 -0.74 0.11 0.71 -2.47 0.00 0.00 174.74 172.36 2j16 s TYR 107 N 1.67 3.30 -1.19 3.88 2.02 0.55 -4.99 117.35 122.59 2j16 s TYR 107 Ca 0.02 0.15 -0.07 0.00 -0.37 0.00 0.00 57.07 56.80 2j16 s TYR 107 Cb -0.17 -2.16 0.23 0.00 -0.40 0.00 0.00 41.96 39.45 2j16 s TYR 107 CO -0.14 0.13 1.72 0.54 -1.57 0.00 0.00 175.55 176.22 2j16 n ARG 108 N 3.84 4.06 -2.73 -0.62 1.74 -1.26 -2.93 116.66 118.76 2j16 n ARG 108 Ca -0.16 -4.00 -0.43 0.00 -0.77 0.00 0.00 57.85 52.50 2j16 n ARG 108 Cb 0.52 -2.73 -0.03 0.00 -1.02 0.00 0.00 32.46 29.21 2j16 n ARG 108 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2j16 s TRP 109 N -1.15 3.37 0.61 -1.55 0.51 -1.24 -4.54 118.94 114.95 2j16 s TRP 109 Ca 0.36 1.40 -0.03 0.00 -2.12 0.00 0.00 56.10 55.71 2j16 s TRP 109 Cb 0.08 -3.19 0.04 0.00 -0.81 0.00 0.00 33.47 29.59 2j16 s TRP 109 CO 0.05 -0.40 0.88 -1.21 -0.51 0.00 0.00 176.95 175.76 2j16 s GLU 110 N 2.86 2.52 0.48 4.98 2.02 -1.26 -2.89 118.70 127.41 2j16 s GLU 110 Ca 0.42 -0.41 0.32 0.00 0.02 0.00 0.00 54.97 55.32 2j16 s GLU 110 Cb -0.16 -2.33 1.42 0.00 0.10 0.00 0.00 34.13 33.17 2j16 s GLU 110 CO 0.09 -0.88 1.73 1.25 0.02 0.00 0.00 175.26 177.47 2j16 h HIS 111 N -0.21 0.29 -0.05 1.61 -0.00 -1.98 -2.67 115.15 112.14 2j16 h HIS 111 Ca -0.44 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.94 2j16 h HIS 111 Cb 1.29 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.62 2j16 h HIS 111 CO 0.38 -0.03 0.00 -0.40 -0.00 0.00 0.00 177.93 177.89 2j16 n ASP 112 N -4.38 2.50 -4.70 3.26 5.68 -1.26 -4.80 116.55 112.85 2j16 n ASP 112 Ca 0.30 -2.81 -0.32 0.00 -0.50 0.00 0.00 54.79 51.46 2j16 n ASP 112 Cb 1.27 -0.35 0.13 0.00 -1.14 0.00 0.00 41.12 41.04 2j16 n ASP 112 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2j16 s SER 113 N -2.28 3.53 -0.47 -1.12 0.01 -1.01 -4.98 113.70 107.38 2j16 s SER 113 Ca 0.26 2.23 -0.18 0.00 1.31 0.00 0.00 55.95 59.57 2j16 s SER 113 Cb 0.22 -2.57 0.05 0.00 0.21 0.00 0.00 66.02 63.93 2j16 s SER 113 CO 0.04 -2.70 0.51 -1.10 0.41 0.00 0.00 173.24 170.40 2j16 s GLN 114 N -4.39 3.08 0.00 12.44 -1.52 -1.26 -4.93 119.66 123.07 2j16 s GLN 114 Ca 0.69 -0.97 0.26 0.00 -1.95 0.00 0.00 55.36 53.39 2j16 s GLN 114 Cb -0.25 -4.07 0.63 0.00 -0.22 0.00 0.00 33.01 29.11 2j16 s GLN 114 CO 0.53 -1.06 1.49 0.44 -0.25 0.00 0.00 175.29 176.44 2j16 n ILE 115 N 5.45 0.00 -0.26 1.08 -5.35 -1.26 -4.41 119.36 114.61 2j16 n ILE 115 Ca -0.08 -0.22 0.20 0.00 -0.27 0.00 0.00 62.75 62.38 2j16 n ILE 115 Cb 0.45 0.68 0.51 0.00 -1.74 0.00 0.00 39.64 39.55 2j16 n ILE 115 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2j16 h ALA 116 N 3.98 2.21 0.01 -1.28 0.00 -1.92 -1.34 119.26 120.91 2j16 h ALA 116 Ca 0.00 0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.69 2j16 h ALA 116 Cb 0.60 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2j16 h ALA 116 CO 0.00 -0.51 -1.31 -0.07 0.00 0.00 0.00 179.25 177.36 2j16 h LEU 117 N 0.41 0.02 -0.37 0.00 3.38 -2.03 -3.33 115.31 113.39 2j16 h LEU 117 Ca 0.49 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 58.25 2j16 h LEU 117 Cb 1.22 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 2j16 h LEU 117 CO -0.19 1.03 -0.82 0.44 0.09 0.00 0.00 178.44 178.98 2j16 h ASP 118 N 0.00 0.13 -0.42 -0.43 3.32 -1.56 -3.39 116.42 114.07 2j16 h ASP 118 Ca -0.13 -0.10 0.07 0.00 0.02 0.00 0.00 57.03 56.88 2j16 h ASP 118 Cb 1.88 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 41.33 2j16 h ASP 118 CO 0.11 0.89 0.06 -0.07 -1.72 0.00 0.00 179.24 178.52 2j16 h LEU 119 N 0.06 -0.04 -0.79 1.55 3.38 -1.50 -1.10 115.31 116.87 2j16 h LEU 119 Ca -0.02 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2j16 h LEU 119 Cb 1.43 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.26 2j16 h LEU 119 CO 0.12 0.02 0.34 -0.65 0.09 0.00 0.00 178.44 178.35 2j16 h PRO 120 N 0.19 1.17 -0.46 1.13 0.11 -1.80 0.60 132.00 132.95 2j16 h PRO 120 Ca 0.21 -0.20 -0.09 0.00 0.11 0.00 0.00 66.00 66.03 2j16 h PRO 120 Cb 0.27 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 2j16 h PRO 120 CO -0.29 0.94 -0.05 0.77 -0.21 0.00 0.00 178.00 179.16 2j16 h SER 121 N 1.14 0.84 -0.11 -2.05 0.02 -1.68 -2.59 113.55 109.12 2j16 h SER 121 Ca 0.27 -0.33 -0.09 0.00 -0.84 0.00 0.00 61.79 60.79 2j16 h SER 121 Cb 0.18 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2j16 h SER 121 CO -0.03 0.97 -0.30 -0.07 -1.14 0.00 0.00 176.83 176.26 2j16 h LEU 122 N 0.69 0.46 -2.10 5.07 3.38 -1.05 -2.45 115.31 119.31 2j16 h LEU 122 Ca 0.12 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 2j16 h LEU 122 Cb 0.57 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2j16 h LEU 122 CO 0.03 0.96 -0.06 0.71 0.09 0.00 0.00 178.44 180.18 2j16 h THR 123 N -0.03 0.27 0.17 0.22 1.35 -0.93 -2.18 112.91 111.78 2j16 h THR 123 Ca -0.01 -0.38 -0.30 0.00 -0.55 0.00 0.00 66.41 65.18 2j16 h THR 123 Cb 0.91 1.29 0.02 0.00 -1.73 0.00 0.00 68.15 68.64 2j16 h THR 123 CO 0.06 0.05 -1.32 0.28 -0.25 0.00 0.00 175.52 174.35 2j16 h SER 124 N 0.00 0.63 -0.80 5.36 0.02 -1.36 -1.79 113.55 115.61 2j16 h SER 124 Ca -0.00 -0.65 0.04 0.00 -0.84 0.00 0.00 61.79 60.33 2j16 h SER 124 Cb 0.29 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.57 2j16 h SER 124 CO 0.01 1.50 0.50 0.40 -1.14 0.00 0.00 176.83 178.10 2j16 h ILE 125 N 0.13 1.09 0.10 3.27 2.04 -0.91 0.50 117.51 123.73 2j16 h ILE 125 Ca -0.18 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 2j16 h ILE 125 Cb 2.03 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 2j16 h ILE 125 CO 0.23 0.18 -0.05 0.40 0.00 0.00 0.00 178.15 178.91 2j16 h ILE 126 N 0.96 1.11 -0.81 -0.67 2.04 -1.49 -2.50 117.51 116.16 2j16 h ILE 126 Ca 0.33 -0.87 0.05 0.00 1.00 0.00 0.00 64.86 65.36 2j16 h ILE 126 Cb 0.06 1.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 2j16 h ILE 126 CO -0.13 0.21 0.50 -0.74 0.00 0.00 0.00 178.15 177.99 2j16 h HIS 127 N -0.54 0.94 -0.81 1.37 2.76 -1.14 -1.43 115.15 116.30 2j16 h HIS 127 Ca -0.01 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 2j16 h HIS 127 Cb 0.44 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 29.06 2j16 h HIS 127 CO 0.06 0.50 0.45 0.00 -1.30 0.00 0.00 177.93 177.64 2j16 h ALA 128 N 1.36 1.04 -0.58 5.26 0.00 -0.93 -1.88 119.26 123.53 2j16 h ALA 128 Ca 0.34 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2j16 h ALA 128 Cb 0.09 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2j16 h ALA 128 CO -0.14 0.54 0.07 0.00 0.00 0.00 0.00 179.25 179.72 2j16 h ALA 129 N 1.24 1.04 -0.17 0.00 0.00 -0.93 -2.48 119.26 117.96 2j16 h ALA 129 Ca 0.29 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2j16 h ALA 129 Cb 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2j16 h ALA 129 CO -0.05 0.61 -0.40 1.79 0.00 0.00 0.00 179.25 181.20 2j16 h THR 130 N 0.89 1.31 -0.63 0.00 1.35 -0.95 0.28 112.91 115.15 2j16 h THR 130 Ca 0.18 -1.54 -0.03 0.00 -0.55 0.00 0.00 66.41 64.47 2j16 h THR 130 Cb 0.42 1.62 -0.03 0.00 -1.73 0.00 0.00 68.15 68.43 2j16 h THR 130 CO 0.01 0.47 0.26 0.74 -0.25 0.00 0.00 175.52 176.75 2j16 h THR 131 N 0.32 1.22 -0.19 6.82 2.02 -1.13 -1.91 112.91 120.06 2j16 h THR 131 Ca 0.03 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.54 2j16 h THR 131 Cb 0.85 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2j16 h THR 131 CO 0.07 0.27 0.00 0.29 0.37 0.00 0.00 175.52 176.52 2j16 n LYS 132 N -4.32 1.55 -3.22 6.66 5.02 -0.95 -4.92 118.16 117.97 2j16 n LYS 132 Ca 0.05 -0.84 -0.23 0.00 -2.02 0.00 0.00 58.31 55.27 2j16 n LYS 132 Cb 0.16 -1.27 0.04 0.00 -0.02 0.00 0.00 35.03 33.94 2j16 n LYS 132 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2j16 n ARG 133 N 0.12 -5.60 -3.31 1.97 1.74 -0.72 -4.98 116.66 105.88 2j16 n ARG 133 Ca 0.12 0.85 -0.29 0.00 -0.77 0.00 0.00 57.85 57.76 2j16 n ARG 133 Cb 0.23 -5.76 -0.03 0.00 -1.02 0.00 0.00 32.46 25.87 2j16 n ARG 133 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2j16 s GLU 134 N -5.91 3.65 -0.23 5.56 2.02 0.03 -5.01 118.70 118.81 2j16 s GLU 134 Ca 0.39 0.05 -0.26 0.00 0.02 0.00 0.00 54.97 55.17 2j16 s GLU 134 Cb -0.18 -2.63 -0.00 0.00 0.10 0.00 0.00 34.13 31.42 2j16 s GLU 134 CO 0.49 0.21 0.90 0.15 0.02 0.00 0.00 175.26 177.03 2j16 s LYS 135 N -3.51 4.22 -0.13 1.61 1.02 -1.26 -4.66 119.74 117.02 2j16 s LYS 135 Ca 0.45 1.09 0.01 0.00 0.02 0.00 0.00 55.97 57.54 2j16 s LYS 135 Cb -0.11 -3.64 -0.01 0.00 -0.52 0.00 0.00 37.83 33.56 2j16 s LYS 135 CO 0.29 -0.54 -0.16 0.42 -0.92 0.00 0.00 175.35 174.44 2j16 s ILE 136 N 2.92 2.76 -0.14 2.17 1.01 -0.76 -1.80 121.20 127.35 2j16 s ILE 136 Ca 0.38 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 60.23 2j16 s ILE 136 Cb -0.15 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 2j16 s ILE 136 CO 0.07 0.53 0.03 -0.22 0.00 0.00 0.00 174.94 175.35 2j16 s LEU 137 N 0.51 3.71 -0.11 2.97 2.96 -0.39 -0.73 118.68 127.60 2j16 s LEU 137 Ca -0.10 0.12 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 2j16 s LEU 137 Cb -0.16 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.63 2j16 s LEU 137 CO 0.04 0.27 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.49 2j16 s ILE 138 N -0.23 2.17 0.02 6.68 -1.09 -0.40 -0.52 121.20 127.83 2j16 s ILE 138 Ca 0.07 -0.97 -0.11 0.00 -2.23 0.00 0.00 60.65 57.41 2j16 s ILE 138 Cb -0.12 -1.85 0.01 0.00 -1.58 0.00 0.00 42.46 38.92 2j16 s ILE 138 CO 0.02 0.55 0.23 -1.38 -1.23 0.00 0.00 174.94 173.13 2j16 s HIS 139 N 0.47 -0.03 0.00 3.97 -3.43 -0.83 -1.92 115.29 113.53 2j16 s HIS 139 Ca -0.15 -0.09 0.00 0.00 -0.80 0.00 0.00 55.06 54.02 2j16 s HIS 139 Cb -0.17 0.02 0.00 0.00 -1.43 0.00 0.00 32.58 30.99 2j16 s HIS 139 CO 0.06 -0.41 0.00 0.00 -2.00 0.00 0.00 174.74 172.39 2j16 n GLN 141 N 0.00 0.53 -0.02 0.00 -0.06 -1.26 -3.17 117.38 113.39 2j16 n GLN 141 Ca 0.00 0.32 0.05 0.00 -2.00 0.00 0.00 57.00 55.37 2j16 n GLN 141 Cb 0.00 -1.52 -0.15 0.00 -4.06 0.00 0.00 30.24 24.51 2j16 n GLN 141 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2j16 n GLY 143 N 1.38 0.95 0.23 0.00 0.00 -1.26 -4.64 105.19 101.84 2j16 n GLY 143 Ca -0.11 -0.10 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 2j16 n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2j16 n LEU 144 N 0.00 2.34 0.02 0.99 4.77 -1.26 -4.71 117.00 119.15 2j16 n LEU 144 Ca 0.00 -0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 2j16 n LEU 144 Cb 0.00 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 40.79 2j16 n LEU 144 CO 0.00 0.52 -0.12 -0.24 -1.33 0.00 0.00 177.39 176.22 2j16 n SER 145 N -2.94 1.19 0.00 -1.43 2.88 -1.26 -0.40 113.62 111.66 2j16 n SER 145 Ca -0.16 0.16 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 2j16 n SER 145 Cb 0.65 -0.39 -0.10 0.00 -0.75 0.00 0.00 64.21 63.62 2j16 n SER 145 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2j16 h ARG 146 N -0.17 0.53 -0.16 -1.46 3.08 -1.92 -2.72 114.38 111.56 2j16 h ARG 146 Ca 0.00 -0.52 -0.15 0.00 0.07 0.00 0.00 59.98 59.38 2j16 h ARG 146 Cb 0.17 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2j16 h ARG 146 CO 0.00 1.15 -0.54 0.66 -1.07 0.00 0.00 179.97 180.17 2j16 h SER 147 N 0.10 0.51 -0.69 7.04 4.64 -1.89 -2.22 113.55 121.03 2j16 h SER 147 Ca -0.08 -0.27 0.01 0.00 -0.47 0.00 0.00 61.79 60.98 2j16 h SER 147 Cb 1.36 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 63.27 2j16 h SER 147 CO 0.14 0.95 0.45 0.00 -0.87 0.00 0.00 176.83 177.51 2j16 h ALA 148 N 1.06 0.88 -0.29 5.18 0.00 -1.83 -2.04 119.26 122.23 2j16 h ALA 148 Ca 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2j16 h ALA 148 Cb 1.07 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2j16 h ALA 148 CO 0.10 0.28 0.13 1.15 0.00 0.00 0.00 179.25 180.91 2j16 h THR 149 N 0.92 0.98 -0.41 0.00 2.02 -1.22 0.65 112.91 115.85 2j16 h THR 149 Ca 0.26 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 2j16 h THR 149 Cb -0.09 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 2j16 h THR 149 CO -0.06 0.05 0.23 0.25 0.37 0.00 0.00 175.52 176.35 2j16 h LEU 150 N 0.28 0.52 -0.46 2.58 5.85 -1.22 -0.72 115.31 122.14 2j16 h LEU 150 Ca 0.12 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 2j16 h LEU 150 Cb 0.05 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2j16 h LEU 150 CO -0.09 0.46 0.10 0.40 -0.34 0.00 0.00 178.44 178.97 2j16 h ILE 151 N 0.54 1.24 -0.98 4.05 2.04 -1.20 0.47 117.51 123.66 2j16 h ILE 151 Ca 0.15 -0.84 0.03 0.00 1.00 0.00 0.00 64.86 65.20 2j16 h ILE 151 Cb 0.06 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 2j16 h ILE 151 CO -0.02 0.30 0.64 0.40 0.00 0.00 0.00 178.15 179.47 2j16 h ILE 152 N 0.61 1.19 -0.54 -0.67 2.04 -0.75 -0.43 117.51 118.95 2j16 h ILE 152 Ca 0.14 -0.43 -0.10 0.00 1.00 0.00 0.00 64.86 65.46 2j16 h ILE 152 Cb 0.34 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.21 2j16 h ILE 152 CO 0.00 0.23 -0.07 0.00 0.00 0.00 0.00 178.15 178.31 2j16 h ALA 153 N 1.39 0.84 0.36 1.87 0.00 -0.49 -1.03 119.26 122.20 2j16 h ALA 153 Ca 0.39 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2j16 h ALA 153 Cb -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2j16 h ALA 153 CO -0.12 0.66 -0.19 -0.92 0.00 0.00 0.00 179.25 178.69 2j16 h TYR 154 N 0.90 -0.49 -1.00 0.00 3.20 -0.40 -2.52 116.97 116.66 2j16 h TYR 154 Ca 0.15 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.11 2j16 h TYR 154 Cb 0.62 0.17 -0.08 0.00 1.54 0.00 0.00 36.73 38.98 2j16 h TYR 154 CO 0.04 -0.30 0.63 0.82 -1.64 0.00 0.00 178.16 177.72 2j16 h ILE 155 N -0.50 0.98 -0.06 1.81 2.04 -0.94 -0.95 117.51 119.87 2j16 h ILE 155 Ca -0.04 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.47 2j16 h ILE 155 Cb 0.40 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 2j16 h ILE 155 CO 0.07 0.19 -0.01 0.24 0.00 0.00 0.00 178.15 178.64 2j16 h MET 156 N 1.05 0.01 0.07 2.37 2.86 -0.92 -2.17 114.93 118.20 2j16 h MET 156 Ca 0.47 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.11 2j16 h MET 156 Cb 0.38 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 2j16 h MET 156 CO -0.23 0.00 -0.03 -0.22 1.06 0.00 0.00 176.91 177.49 2j16 h LYS 157 N 0.01 -0.09 -0.00 1.72 3.64 -1.19 -2.45 116.57 118.20 2j16 h LYS 157 Ca 0.03 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2j16 h LYS 157 Cb 0.04 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2j16 h LYS 157 CO -0.06 0.47 -0.11 0.66 -2.27 0.00 0.00 179.45 178.14 2j16 n TYR 158 N -4.80 0.00 -0.14 1.91 4.01 -0.39 -2.77 117.16 114.99 2j16 n TYR 158 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 2j16 n TYR 158 Cb 0.30 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 2j16 n TYR 158 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2j16 n HIS 159 N -1.26 0.00 -3.79 -0.72 8.25 -0.82 -5.03 115.22 111.85 2j16 n HIS 159 Ca 0.11 -0.16 -0.25 0.00 -0.26 0.00 0.00 57.72 57.15 2j16 n HIS 159 Cb 0.29 -0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.40 2j16 n HIS 159 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2j16 n ASN 160 N -0.16 -1.97 -4.49 0.41 4.05 -1.02 -4.99 115.26 107.09 2j16 n ASN 160 Ca 0.00 -0.95 -0.28 0.00 0.45 0.00 0.00 54.58 53.80 2j16 n ASN 160 Cb 0.13 -3.48 -0.11 0.00 1.23 0.00 0.00 39.78 37.55 2j16 n ASN 160 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2j16 s LEU 161 N -6.72 2.68 0.98 1.20 1.43 -0.95 -5.04 118.68 112.26 2j16 s LEU 161 Ca 0.13 -0.63 -0.12 0.00 -1.03 0.00 0.00 54.13 52.48 2j16 s LEU 161 Cb -0.05 -1.48 0.18 0.00 0.03 0.00 0.00 46.19 44.88 2j16 s LEU 161 CO 0.86 0.15 1.09 -0.94 0.23 0.00 0.00 176.35 177.73 2j16 s SER 162 N -2.37 2.70 0.17 2.29 1.04 -1.26 -4.37 113.70 111.90 2j16 s SER 162 Ca 0.19 1.35 -0.14 0.00 0.48 0.00 0.00 55.95 57.84 2j16 s SER 162 Cb -0.10 -2.03 0.11 0.00 0.10 0.00 0.00 66.02 64.10 2j16 s SER 162 CO 0.11 -3.11 1.77 0.25 0.98 0.00 0.00 173.24 173.24 2j16 h LEU 163 N -1.87 0.29 0.38 2.42 5.85 -1.95 -1.94 115.31 118.49 2j16 h LEU 163 Ca -0.53 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.21 2j16 h LEU 163 Cb 1.31 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 2j16 h LEU 163 CO 0.55 0.20 -0.42 -0.09 -0.34 0.00 0.00 178.44 178.35 2j16 h ARG 164 N 0.42 -0.79 -0.75 1.25 2.43 -1.99 0.12 114.38 115.07 2j16 h ARG 164 Ca 0.20 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2j16 h ARG 164 Cb 0.14 0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.83 2j16 h ARG 164 CO -0.16 -0.53 0.48 0.45 -1.51 0.00 0.00 179.97 178.70 2j16 h HIS 165 N -0.83 0.97 0.02 2.20 3.86 -1.92 0.61 115.15 120.06 2j16 h HIS 165 Ca -0.03 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2j16 h HIS 165 Cb 0.74 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.89 2j16 h HIS 165 CO -0.24 0.63 -0.01 0.77 0.86 0.00 0.00 177.93 179.94 2j16 h SER 166 N 1.02 -0.02 -0.48 2.45 0.02 -1.17 -0.39 113.55 114.99 2j16 h SER 166 Ca 0.27 -0.10 0.06 0.00 -0.84 0.00 0.00 61.79 61.19 2j16 h SER 166 Cb -0.08 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.41 2j16 h SER 166 CO -0.06 0.09 0.16 0.22 -1.14 0.00 0.00 176.83 176.10 2j16 h TYR 167 N -0.12 0.28 -0.58 3.45 3.20 -0.58 -2.28 116.97 120.34 2j16 h TYR 167 Ca -0.00 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.91 2j16 h TYR 167 Cb 0.11 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 2j16 h TYR 167 CO -0.04 0.09 0.36 -0.44 -1.64 0.00 0.00 178.16 176.48 2j16 h ASP 168 N 0.33 0.59 -0.17 -2.11 3.32 -0.51 0.12 116.42 117.99 2j16 h ASP 168 Ca 0.23 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2j16 h ASP 168 Cb 0.24 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2j16 h ASP 168 CO -0.24 0.41 0.11 -0.07 -1.72 0.00 0.00 179.24 177.73 2j16 h LEU 169 N 0.71 0.20 -0.41 1.55 3.38 -0.88 -1.69 115.31 118.16 2j16 h LEU 169 Ca 0.23 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 2j16 h LEU 169 Cb 0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2j16 h LEU 169 CO -0.09 0.17 0.05 0.25 0.09 0.00 0.00 178.44 178.91 2j16 h LEU 170 N 0.21 0.68 -0.97 1.67 6.46 -1.11 -2.95 115.31 119.29 2j16 h LEU 170 Ca 0.06 -0.28 0.05 0.00 -0.12 0.00 0.00 57.88 57.60 2j16 h LEU 170 Cb 0.01 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 39.69 2j16 h LEU 170 CO -0.01 0.78 0.63 0.50 -0.62 0.00 0.00 178.44 179.72 2j16 h LYS 171 N 0.54 1.14 -0.38 1.25 3.11 -0.65 0.31 116.57 121.89 2j16 h LYS 171 Ca 0.12 -0.07 -0.04 0.00 -2.81 0.00 0.00 60.65 57.86 2j16 h LYS 171 Cb 0.41 -0.26 -0.02 0.00 -1.00 0.00 0.00 32.23 31.36 2j16 h LYS 171 CO 0.01 0.75 0.08 0.77 -2.81 0.00 0.00 179.45 178.25 2j16 h SER 172 N 1.17 0.51 0.05 4.20 0.02 -1.13 -3.07 113.55 115.29 2j16 h SER 172 Ca 0.40 -0.07 -0.26 0.00 -0.84 0.00 0.00 61.79 61.02 2j16 h SER 172 Cb 0.09 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 2j16 h SER 172 CO -0.15 0.53 -1.41 -0.09 -1.14 0.00 0.00 176.83 174.57 2j16 h ARG 173 N 0.54 0.10 -3.98 3.45 9.65 -1.39 -3.42 114.38 119.34 2j16 h ARG 173 Ca 0.13 -0.17 -0.71 0.00 -1.10 0.00 0.00 59.98 58.13 2j16 h ARG 173 Cb 0.23 0.06 -0.33 0.00 -1.39 0.00 0.00 29.97 28.54 2j16 h ARG 173 CO -0.00 1.08 -0.37 0.00 2.80 0.00 0.00 179.97 183.48 2j16 s ALA 174 N -2.42 3.49 0.11 2.80 0.00 0.10 -4.97 121.76 120.88 2j16 s ALA 174 Ca -0.26 -2.94 0.26 0.00 0.00 0.00 0.00 51.96 49.02 2j16 s ALA 174 Cb 0.05 -2.73 0.99 0.00 0.00 0.00 0.00 23.12 21.44 2j16 s ALA 174 CO 0.66 -2.01 1.85 0.22 0.00 0.00 0.00 175.76 176.48 2j16 h ASP 175 N 7.65 0.00 -0.01 0.00 3.58 -1.78 -3.10 116.42 122.76 2j16 h ASP 175 Ca -0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.38 2j16 h ASP 175 Cb 1.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.06 2j16 h ASP 175 CO 0.75 0.18 0.00 0.29 -2.88 0.00 0.00 179.24 177.57 2j16 n LYS 176 N -3.32 1.55 -1.82 0.28 4.01 -1.26 -4.95 118.16 112.65 2j16 n LYS 176 Ca 0.00 -0.80 -0.40 0.00 -0.51 0.00 0.00 58.31 56.60 2j16 n LYS 176 Cb 0.41 -1.48 0.01 0.00 -0.51 0.00 0.00 35.03 33.45 2j16 n LYS 176 CO 0.00 0.00 0.00 0.96 -1.11 0.00 0.00 177.40 177.25 2j16 s ILE 177 N -2.00 2.10 -0.48 -0.18 -4.36 -1.17 -4.83 121.20 110.28 2j16 s ILE 177 Ca 0.40 0.09 0.06 0.00 -0.26 0.00 0.00 60.65 60.94 2j16 s ILE 177 Cb 0.21 -3.06 0.25 0.00 1.25 0.00 0.00 42.46 41.11 2j16 s ILE 177 CO 0.34 0.02 0.90 -3.20 0.24 0.00 0.00 174.94 173.24 2j16 n ASN 178 N 0.17 -2.76 -4.76 4.36 5.15 0.47 -5.05 115.26 112.84 2j16 n ASN 178 Ca 0.03 -3.33 -0.41 0.00 -0.60 0.00 0.00 54.58 50.26 2j16 n ASN 178 Cb 0.41 1.78 -0.01 0.00 -0.53 0.00 0.00 39.78 41.42 2j16 n ASN 178 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2j16 s PRO 179 N 0.60 4.15 0.56 1.20 0.04 -1.18 -4.20 135.00 136.17 2j16 s PRO 179 Ca 0.31 2.52 -0.20 0.00 0.04 0.00 0.00 61.00 63.67 2j16 s PRO 179 Cb 0.24 -3.02 -0.06 0.00 0.04 0.00 0.00 34.50 31.70 2j16 s PRO 179 CO -0.22 -0.54 1.04 -1.13 0.04 0.00 0.00 177.00 176.18 2j16 n SER 180 N 1.46 1.18 -0.33 6.66 3.41 -1.26 -4.75 113.62 120.00 2j16 n SER 180 Ca 0.05 0.88 0.11 0.00 -0.26 0.00 0.00 58.87 59.64 2j16 n SER 180 Cb 0.39 -1.41 0.31 0.00 -0.26 0.00 0.00 64.21 63.23 2j16 n SER 180 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2j16 h ILE 181 N 0.84 0.83 -1.00 -1.33 2.04 -1.98 0.12 117.51 117.02 2j16 h ILE 181 Ca -0.48 -0.28 0.13 0.00 1.00 0.00 0.00 64.86 65.22 2j16 h ILE 181 Cb 1.35 -0.07 -0.09 0.00 -0.74 0.00 0.00 36.82 37.27 2j16 h ILE 181 CO 0.53 0.15 0.63 1.23 0.00 0.00 0.00 178.15 180.68 2j16 h GLY 182 N 0.83 1.65 1.51 5.37 0.00 -1.93 -1.15 103.07 109.35 2j16 h GLY 182 Ca 0.51 -0.41 -0.24 0.00 0.00 0.00 0.00 47.33 47.18 2j16 h GLY 182 CO -0.28 0.13 -1.01 1.41 0.00 0.00 0.00 176.54 176.80 2j16 h LEU 183 N 0.96 0.56 -1.01 3.11 3.38 -1.12 -3.01 115.31 118.19 2j16 h LEU 183 Ca 0.51 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2j16 h LEU 183 Cb 0.53 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2j16 h LEU 183 CO -0.28 1.29 0.01 0.40 0.09 0.00 0.00 178.44 179.95 2j16 h ILE 184 N 0.22 1.23 -0.72 1.22 2.04 -0.93 -1.51 117.51 119.06 2j16 h ILE 184 Ca -0.10 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 2j16 h ILE 184 Cb 1.66 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 38.58 2j16 h ILE 184 CO 0.18 0.33 0.44 -0.26 0.00 0.00 0.00 178.15 178.83 2j16 h PHE 185 N 0.68 0.93 0.00 1.37 0.04 -1.21 -1.95 116.94 116.81 2j16 h PHE 185 Ca 0.14 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.81 2j16 h PHE 185 Cb 0.40 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 2j16 h PHE 185 CO 0.02 0.61 -0.50 1.96 -0.60 0.00 0.00 178.31 179.80 2j16 h GLN 186 N 0.98 0.00 -0.21 1.51 4.20 -1.29 -2.59 115.11 117.72 2j16 h GLN 186 Ca 0.26 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.85 2j16 h GLN 186 Cb -0.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2j16 h GLN 186 CO -0.05 0.50 -0.36 -0.07 -0.67 0.00 0.00 178.83 178.18 2j16 h LEU 187 N 0.00 0.48 -0.85 1.46 3.38 -0.63 -1.29 115.31 117.86 2j16 h LEU 187 Ca -0.00 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 2j16 h LEU 187 Cb 0.98 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 2j16 h LEU 187 CO 0.06 0.80 0.42 0.24 0.09 0.00 0.00 178.44 180.06 2j16 h MET 188 N 0.39 1.22 -0.78 1.13 2.86 -1.13 -0.47 114.93 118.15 2j16 h MET 188 Ca 0.04 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2j16 h MET 188 Cb 0.81 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 32.21 2j16 h MET 188 CO 0.07 0.92 0.48 0.93 1.06 0.00 0.00 176.91 180.36 2j16 h GLU 189 N 1.21 1.05 -0.74 1.72 5.08 -1.16 -1.03 114.58 120.71 2j16 h GLU 189 Ca 0.29 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2j16 h GLU 189 Cb 0.10 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 2j16 h GLU 189 CO -0.04 0.73 0.44 2.35 -1.00 0.00 0.00 179.01 181.49 2j16 h TRP 190 N 1.06 0.99 -0.50 4.33 -0.00 -0.77 -1.10 115.95 119.96 2j16 h TRP 190 Ca 0.28 -0.00 -0.12 0.00 -0.00 0.00 0.00 58.89 59.04 2j16 h TRP 190 Cb -0.05 -0.32 -0.01 0.00 -0.00 0.00 0.00 29.16 28.77 2j16 h TRP 190 CO -0.01 0.66 -0.18 1.49 -0.00 0.00 0.00 178.44 180.41 2j16 h GLU 191 N 1.03 0.98 -0.54 2.65 4.81 -0.48 -0.85 114.58 122.18 2j16 h GLU 191 Ca 0.27 -0.40 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 2j16 h GLU 191 Cb -0.02 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 2j16 h GLU 191 CO -0.05 1.07 0.22 0.28 -0.73 0.00 0.00 179.01 179.81 2j16 h VAL 192 N 0.86 1.22 -0.26 0.32 2.07 -0.89 -2.38 116.25 117.19 2j16 h VAL 192 Ca 0.12 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.98 2j16 h VAL 192 Cb 0.75 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2j16 h VAL 192 CO 0.06 0.26 0.15 0.00 0.02 0.00 0.00 177.57 178.06 2j16 h ALA 193 N 1.07 0.32 0.00 1.67 0.00 -1.01 -0.88 119.26 120.43 2j16 h ALA 193 Ca 0.18 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2j16 h ALA 193 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2j16 h ALA 193 CO -0.02 -0.23 -0.36 -0.07 0.00 0.00 0.00 179.25 178.57 2j16 h LEU 194 N 0.32 0.00 -0.33 0.00 3.38 -1.06 -2.51 115.31 115.11 2j16 h LEU 194 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2j16 h LEU 194 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2j16 h LEU 194 CO -0.04 0.36 -0.37 0.59 0.09 0.00 0.00 178.44 179.07 2j16 n ASN 195 N -4.09 0.89 0.00 -0.43 3.02 -0.91 -4.36 115.26 109.39 2j16 n ASN 195 Ca -0.02 -0.71 0.08 0.00 -0.03 0.00 0.00 54.58 53.91 2j16 n ASN 195 Cb 0.40 0.21 0.44 0.00 -0.61 0.00 0.00 39.78 40.22 2j16 n ASN 195 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2j16 n ALA 196 N -0.93 1.97 0.00 5.41 0.00 -0.34 -5.07 120.51 121.54 2j16 n ALA 196 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2j16 n ALA 196 Cb 0.35 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2j16 n ALA 196 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86