#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4o n THR 15 N 0.00 0.11 -0.15 0.00 -1.04 -1.26 -4.55 114.28 107.40 1j4o n THR 15 Ca 0.00 -0.07 -0.07 0.00 -2.04 0.00 0.00 64.05 61.86 1j4o n THR 15 Cb 0.00 -0.94 0.01 0.00 -1.82 0.00 0.00 70.33 67.59 1j4o n THR 15 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1j4o h GLN 16 N 0.00 0.59 -0.57 -2.82 4.15 -2.07 -1.75 115.11 112.66 1j4o h GLN 16 Ca -0.05 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 1j4o h GLN 16 Cb 1.09 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.62 1j4o h GLN 16 CO 0.00 0.39 0.35 0.00 -1.93 0.00 0.00 178.83 177.65 1j4o h ARG 17 N 0.61 0.76 -0.68 1.69 -0.00 -2.01 -1.38 114.38 113.36 1j4o h ARG 17 Ca 0.17 -0.06 0.01 0.00 -0.50 0.00 0.00 59.98 59.61 1j4o h ARG 17 Cb -0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 29.97 29.71 1j4o h ARG 17 CO -0.04 0.52 0.45 0.35 0.00 0.00 0.00 179.97 181.26 1j4o h PHE 18 N 0.77 0.84 -0.53 3.04 3.57 -1.57 -1.30 116.94 121.78 1j4o h PHE 18 Ca 0.21 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 1j4o h PHE 18 Cb -0.05 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.38 1j4o h PHE 18 CO 0.00 0.52 0.24 1.25 -2.23 0.00 0.00 178.31 178.10 1j4o h LEU 19 N 0.90 0.70 -0.11 0.59 6.46 -0.86 0.68 115.31 123.67 1j4o h LEU 19 Ca 0.26 -0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 1j4o h LEU 19 Cb -0.07 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 39.68 1j4o h LEU 19 CO -0.06 0.64 0.04 0.40 -0.62 0.00 0.00 178.44 178.84 1j4o h ILE 20 N 0.70 1.16 -0.51 4.05 1.08 -1.24 -0.15 117.51 122.61 1j4o h ILE 20 Ca 0.18 -0.49 -0.08 0.00 -0.39 0.00 0.00 64.86 64.08 1j4o h ILE 20 Cb 0.14 1.28 -0.02 0.00 -3.07 0.00 0.00 36.82 35.15 1j4o h ILE 20 CO -0.02 0.15 -0.00 -0.33 -0.69 0.00 0.00 178.15 177.25 1j4o h GLU 21 N 0.01 0.86 0.00 2.37 5.08 -1.10 -2.27 114.58 119.53 1j4o h GLU 21 Ca 0.04 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.11 1j4o h GLU 21 Cb 0.19 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1j4o h GLU 21 CO -0.00 0.86 -0.23 -0.22 -1.00 0.00 0.00 179.01 178.42 1j4o h LYS 22 N 0.80 0.00 -0.30 2.33 3.64 0.62 -2.95 116.57 120.70 1j4o h LYS 22 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1j4o h LYS 22 Cb 0.48 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1j4o h LYS 22 CO 0.02 0.23 0.19 0.74 -2.27 0.00 0.00 179.45 178.36 1j4o h PHE 23 N 0.00 0.38 -0.23 1.91 -1.00 -0.40 1.08 116.94 118.67 1j4o h PHE 23 Ca -0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.77 1j4o h PHE 23 Cb 0.52 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 1j4o h PHE 23 CO 0.00 0.26 0.08 0.77 -1.61 0.00 0.00 178.31 177.80 1j4o h SER 24 N 0.39 0.33 -0.97 2.17 0.02 -1.55 -2.82 113.55 111.12 1j4o h SER 24 Ca 0.11 -0.19 -0.51 0.00 -0.84 0.00 0.00 61.79 60.35 1j4o h SER 24 Cb -0.02 -0.09 -0.30 0.00 0.14 0.00 0.00 62.40 62.13 1j4o h SER 24 CO -0.02 0.43 0.65 0.00 -1.14 0.00 0.00 176.83 176.75 1j4o n GLN 25 N -4.78 2.24 -2.50 3.45 6.02 -1.12 -4.98 117.38 115.70 1j4o n GLN 25 Ca -0.03 -2.94 -0.33 0.00 -0.01 0.00 0.00 57.00 53.69 1j4o n GLN 25 Cb 0.15 -2.15 -0.04 0.00 1.02 0.00 0.00 30.24 29.21 1j4o n GLN 25 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1j4o s GLU 26 N -3.23 3.94 -0.50 -1.09 2.12 0.37 -4.94 118.70 115.36 1j4o s GLU 26 Ca 0.56 1.09 -0.27 0.00 0.36 0.00 0.00 54.97 56.71 1j4o s GLU 26 Cb 0.47 -2.13 -0.04 0.00 0.26 0.00 0.00 34.13 32.68 1j4o s GLU 26 CO 0.10 -0.28 2.11 -1.14 -0.54 0.00 0.00 175.26 175.51 1j4o s GLN 27 N -3.68 2.51 0.21 4.30 0.74 -1.26 -4.94 119.66 117.53 1j4o s GLN 27 Ca 0.62 1.13 -0.28 0.00 0.05 0.00 0.00 55.36 56.88 1j4o s GLN 27 Cb -0.11 -4.45 -0.09 0.00 1.10 0.00 0.00 33.01 29.46 1j4o s GLN 27 CO 0.25 -2.84 0.87 0.42 -0.55 0.00 0.00 175.29 173.44 1j4o s ILE 28 N 10.15 4.21 0.00 -2.34 -1.09 -1.26 -4.93 121.20 125.93 1j4o s ILE 28 Ca 0.84 1.91 0.03 0.00 -2.23 0.00 0.00 60.65 61.19 1j4o s ILE 28 Cb -0.17 -4.24 0.04 0.00 -1.58 0.00 0.00 42.46 36.52 1j4o s ILE 28 CO 0.25 0.51 0.79 0.61 -1.23 0.00 0.00 174.94 175.87 1j4o n GLY 29 N 1.52 0.78 0.33 6.18 0.00 -1.26 -4.81 105.19 107.93 1j4o n GLY 29 Ca -0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 1j4o n GLY 29 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1j4o h GLU 30 N 0.10 1.12 0.00 1.61 4.81 -2.00 -3.41 114.58 116.81 1j4o h GLU 30 Ca -0.16 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1j4o h GLU 30 Cb 1.27 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1j4o h GLU 30 CO -0.06 0.80 0.00 0.09 -0.73 0.00 0.00 179.01 179.11 1j4o n ASN 31 N -4.44 0.00 -4.75 1.04 3.02 -1.26 -4.94 115.26 103.93 1j4o n ASN 31 Ca 0.08 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.22 1j4o n ASN 31 Cb 0.07 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.20 1j4o n ASN 31 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1j4o s ILE 32 N 0.00 3.54 -0.20 2.41 -1.09 -1.26 -0.36 121.20 124.23 1j4o s ILE 32 Ca 0.00 1.37 -0.11 0.00 -2.23 0.00 0.00 60.65 59.68 1j4o s ILE 32 Cb 0.00 -3.88 -0.08 0.00 -1.58 0.00 0.00 42.46 36.92 1j4o s ILE 32 CO 0.00 0.26 -0.28 0.52 -1.23 0.00 0.00 174.94 174.21 1j4o n VAL 33 N 2.02 1.23 -3.47 2.92 0.31 0.28 -4.61 118.33 117.01 1j4o n VAL 33 Ca 0.02 -0.20 -0.11 0.00 -0.01 0.00 0.00 64.34 64.04 1j4o n VAL 33 Cb 0.45 -1.87 -0.02 0.00 -0.91 0.00 0.00 33.84 31.49 1j4o n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1j4o s ARG 35 N -3.13 2.20 -0.25 0.00 3.00 0.30 -0.06 118.95 121.01 1j4o s ARG 35 Ca 0.02 -0.88 -0.09 0.00 -1.00 0.00 0.00 55.73 53.78 1j4o s ARG 35 Cb -0.01 -2.00 -0.04 0.00 0.00 0.00 0.00 34.95 32.90 1j4o s ARG 35 CO -0.09 0.46 0.12 0.08 0.00 0.00 0.00 175.30 175.87 1j4o s VAL 36 N -0.38 4.90 -0.11 7.11 1.01 -1.02 0.11 120.40 132.03 1j4o s VAL 36 Ca 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 1j4o s VAL 36 Cb -0.11 -3.29 0.03 0.00 0.00 0.00 0.00 36.38 33.00 1j4o s VAL 36 CO 0.01 0.33 -0.07 -0.63 0.00 0.00 0.00 175.10 174.74 1j4o s ILE 37 N 1.36 1.00 -0.09 2.22 1.01 0.32 -2.34 121.20 124.68 1j4o s ILE 37 Ca 0.06 -0.28 -0.26 0.00 0.00 0.00 0.00 60.65 60.17 1j4o s ILE 37 Cb -0.15 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 1j4o s ILE 37 CO 0.06 0.35 0.83 0.00 0.00 0.00 0.00 174.94 176.18 1j4o n THR 39 N 4.17 0.95 1.77 0.00 -2.24 -1.25 -4.06 114.28 113.62 1j4o n THR 39 Ca 0.03 -0.69 0.15 0.00 -2.27 0.00 0.00 64.05 61.27 1j4o n THR 39 Cb 0.50 -0.48 0.87 0.00 -2.10 0.00 0.00 70.33 69.12 1j4o n THR 39 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1j4o n THR 40 N -2.70 0.01 -2.65 4.28 -2.24 -1.26 -4.95 114.28 104.77 1j4o n THR 40 Ca -0.15 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.61 1j4o n THR 40 Cb 0.86 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1j4o n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j4o n GLY 41 N 1.06 -1.11 0.86 3.38 0.00 -1.26 -4.99 105.19 103.13 1j4o n GLY 41 Ca 0.20 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.85 1j4o n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j4o n GLN 42 N -1.02 0.00 -4.90 1.61 6.02 -1.26 -5.11 117.38 112.72 1j4o n GLN 42 Ca 0.04 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.71 1j4o n GLN 42 Cb 0.44 -0.20 -0.13 0.00 1.02 0.00 0.00 30.24 31.36 1j4o n GLN 42 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1j4o s ILE 43 N -1.43 2.97 0.38 5.09 1.01 -1.26 -4.52 121.20 123.44 1j4o s ILE 43 Ca 0.00 -0.79 -0.25 0.00 0.00 0.00 0.00 60.65 59.61 1j4o s ILE 43 Cb 0.00 -2.16 -0.09 0.00 0.01 0.00 0.00 42.46 40.22 1j4o s ILE 43 CO 0.00 0.57 1.07 -2.16 0.00 0.00 0.00 174.94 174.42 1j4o s PRO 44 N -0.79 4.22 0.52 2.79 0.04 -1.26 -4.22 135.00 136.31 1j4o s PRO 44 Ca 0.12 1.59 -0.22 0.00 0.04 0.00 0.00 61.00 62.53 1j4o s PRO 44 Cb -0.11 -2.66 -0.06 0.00 0.04 0.00 0.00 34.50 31.72 1j4o s PRO 44 CO 0.01 -0.11 1.30 -0.89 0.04 0.00 0.00 177.00 177.35 1j4o n ILE 45 N 0.14 3.51 -4.13 0.56 5.41 -1.26 -4.87 119.36 118.72 1j4o n ILE 45 Ca 0.04 -0.50 -0.09 0.00 1.00 0.00 0.00 62.75 63.20 1j4o n ILE 45 Cb 0.48 -1.60 -0.10 0.00 -0.71 0.00 0.00 39.64 37.72 1j4o n ILE 45 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1j4o s ARG 46 N -2.71 0.86 -0.20 0.38 3.52 -0.99 -5.03 118.95 114.78 1j4o s ARG 46 Ca 0.69 -1.38 -0.01 0.00 -0.13 0.00 0.00 55.73 54.90 1j4o s ARG 46 Cb -0.44 0.24 0.01 0.00 -1.56 0.00 0.00 34.95 33.20 1j4o s ARG 46 CO 0.51 -0.23 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.14 1j4o s ASP 47 N -3.02 3.71 -0.09 -2.12 1.01 -1.26 -2.42 116.67 112.47 1j4o s ASP 47 Ca 0.20 -0.58 -0.11 0.00 0.71 0.00 0.00 52.55 52.76 1j4o s ASP 47 Cb 0.07 -1.60 -0.05 0.00 1.01 0.00 0.00 42.92 42.36 1j4o s ASP 47 CO -0.01 -0.02 0.27 -0.76 0.21 0.00 0.00 175.17 174.86 1j4o s LEU 48 N 1.36 4.37 0.14 1.23 1.43 0.91 -5.02 118.68 123.10 1j4o s LEU 48 Ca 0.05 0.64 -0.16 0.00 -1.03 0.00 0.00 54.13 53.62 1j4o s LEU 48 Cb -0.14 -2.32 0.03 0.00 0.03 0.00 0.00 46.19 43.79 1j4o s LEU 48 CO -0.08 0.29 0.41 -0.44 0.23 0.00 0.00 176.35 176.76 1j4o s SER 49 N -0.61 -0.22 -0.03 2.29 0.01 -1.26 -0.56 113.70 113.32 1j4o s SER 49 Ca 0.18 -0.36 -0.07 0.00 1.31 0.00 0.00 55.95 57.00 1j4o s SER 49 Cb -0.14 0.48 0.01 0.00 0.21 0.00 0.00 66.02 66.58 1j4o s SER 49 CO 0.07 -0.88 0.16 0.00 0.41 0.00 0.00 173.24 173.00 1j4o s ALA 50 N -3.82 -0.40 0.12 1.44 0.00 0.51 -4.77 121.76 114.84 1j4o s ALA 50 Ca 0.04 0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.87 1j4o s ALA 50 Cb 0.02 -0.07 -0.06 0.00 0.00 0.00 0.00 23.12 23.00 1j4o s ALA 50 CO -0.10 -0.16 1.15 -0.51 0.00 0.00 0.00 175.76 176.13 1j4o s ASP 51 N -0.74 7.17 0.16 0.00 1.11 -1.26 -4.52 116.67 118.60 1j4o s ASP 51 Ca -0.08 2.05 -0.12 0.00 0.18 0.00 0.00 52.55 54.57 1j4o s ASP 51 Cb -0.05 -2.59 0.05 0.00 1.07 0.00 0.00 42.92 41.40 1j4o s ASP 51 CO 0.01 -0.35 1.67 0.40 1.18 0.00 0.00 175.17 178.09 1j4o h ILE 52 N 4.13 1.25 -0.84 0.77 2.04 -1.92 -2.56 117.51 120.38 1j4o h ILE 52 Ca -0.43 -0.87 0.07 0.00 1.00 0.00 0.00 64.86 64.63 1j4o h ILE 52 Cb 1.21 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.98 1j4o h ILE 52 CO 0.77 0.32 0.51 -1.28 0.00 0.00 0.00 178.15 178.47 1j4o h SER 53 N 0.79 0.79 -0.19 1.72 0.87 -1.98 0.19 113.55 115.73 1j4o h SER 53 Ca 0.18 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.63 1j4o h SER 53 Cb 0.34 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1j4o h SER 53 CO 0.00 0.49 -0.34 1.56 -0.53 0.00 0.00 176.83 178.01 1j4o h GLN 54 N 0.91 0.71 -0.13 2.24 4.20 -1.94 0.20 115.11 121.30 1j4o h GLN 54 Ca 0.38 -0.34 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1j4o h GLN 54 Cb 0.22 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 1j4o h GLN 54 CO -0.19 0.95 -0.05 0.28 -0.67 0.00 0.00 178.83 179.14 1j4o h VAL 55 N 0.59 1.31 0.00 -0.54 2.07 -0.87 0.27 116.25 119.08 1j4o h VAL 55 Ca 0.06 -1.05 -0.08 0.00 0.82 0.00 0.00 66.70 66.45 1j4o h VAL 55 Cb 0.86 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1j4o h VAL 55 CO 0.08 0.31 -0.36 -0.07 0.02 0.00 0.00 177.57 177.54 1j4o h LEU 56 N -0.06 0.00 0.05 2.57 3.38 -0.67 -3.23 115.31 117.35 1j4o h LEU 56 Ca 0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1j4o h LEU 56 Cb 0.50 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.26 1j4o h LEU 56 CO 0.02 0.36 -0.35 0.11 0.09 0.00 0.00 178.44 178.67 1j4o h LYS 57 N 0.00 0.10 -6.22 1.13 1.57 -0.84 -3.44 116.57 108.87 1j4o h LYS 57 Ca -0.00 -0.17 -0.56 0.00 -1.87 0.00 0.00 60.65 58.05 1j4o h LYS 57 Cb 0.83 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 1j4o h LYS 57 CO 0.05 1.08 1.01 -1.21 -0.57 0.00 0.00 179.45 179.81 1j4o s GLU 58 N -2.30 4.20 -0.41 3.15 2.02 0.94 -4.89 118.70 121.41 1j4o s GLU 58 Ca -0.18 1.98 0.05 0.00 0.02 0.00 0.00 54.97 56.85 1j4o s GLU 58 Cb -0.01 -3.90 0.66 0.00 0.10 0.00 0.00 34.13 30.98 1j4o s GLU 58 CO 0.73 -0.79 1.86 1.63 0.02 0.00 0.00 175.26 178.71 1j4o n LYS 59 N 6.91 2.49 -2.17 1.61 4.76 -1.26 -4.84 118.16 125.67 1j4o n LYS 59 Ca 0.16 -2.89 -0.15 0.00 -2.87 0.00 0.00 58.31 52.55 1j4o n LYS 59 Cb 0.44 -2.14 0.07 0.00 -1.84 0.00 0.00 35.03 31.55 1j4o n LYS 59 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1j4o n ARG 60 N -0.88 0.36 -1.17 1.97 1.74 -1.26 -5.00 116.66 112.41 1j4o n ARG 60 Ca 0.54 -2.05 -0.27 0.00 -0.77 0.00 0.00 57.85 55.29 1j4o n ARG 60 Cb 1.57 -0.35 0.10 0.00 -1.02 0.00 0.00 32.46 32.77 1j4o n ARG 60 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1j4o n SER 61 N -2.76 6.19 -3.64 0.55 2.88 -1.26 -4.68 113.62 110.90 1j4o n SER 61 Ca 0.12 -3.54 -0.03 0.00 -1.33 0.00 0.00 58.87 54.08 1j4o n SER 61 Cb 0.42 -0.93 -0.05 0.00 -0.75 0.00 0.00 64.21 62.90 1j4o n SER 61 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1j4o s ILE 62 N -3.78 0.00 0.10 2.46 1.10 -1.26 -4.78 121.20 115.04 1j4o s ILE 62 Ca 0.54 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.68 1j4o s ILE 62 Cb 0.44 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 42.05 1j4o s ILE 62 CO 0.03 0.00 0.00 0.29 -2.11 0.00 0.00 174.94 173.15 1j4o n LYS 63 N 0.92 0.00 -3.74 3.50 4.01 0.61 -4.94 118.16 118.51 1j4o n LYS 63 Ca -0.04 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.63 1j4o n LYS 63 Cb 0.58 -0.31 -0.11 0.00 -0.51 0.00 0.00 35.03 34.68 1j4o n LYS 63 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1j4o s LYS 64 N -1.74 0.34 -0.02 1.97 2.20 -1.15 -5.01 119.74 116.33 1j4o s LYS 64 Ca 0.00 0.52 0.06 0.00 -0.36 0.00 0.00 55.97 56.20 1j4o s LYS 64 Cb 0.00 0.09 -0.01 0.00 -1.51 0.00 0.00 37.83 36.39 1j4o s LYS 64 CO 0.00 -0.09 -0.22 0.08 -0.36 0.00 0.00 175.35 174.77 1j4o s VAL 65 N 0.60 1.71 -0.11 4.02 1.01 -1.26 -1.04 120.40 125.33 1j4o s VAL 65 Ca -0.04 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 1j4o s VAL 65 Cb -0.05 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1j4o s VAL 65 CO -0.04 0.48 0.08 0.26 0.00 0.00 0.00 175.10 175.89 1j4o s TRP 66 N -0.41 3.42 -0.13 5.22 0.51 0.53 -4.88 118.94 123.20 1j4o s TRP 66 Ca 0.06 0.38 -0.00 0.00 -2.12 0.00 0.00 56.10 54.41 1j4o s TRP 66 Cb -0.09 -1.89 -0.02 0.00 -0.81 0.00 0.00 33.47 30.66 1j4o s TRP 66 CO -0.00 0.60 -0.13 0.99 -0.51 0.00 0.00 176.95 177.91 1j4o s THR 67 N -0.89 3.09 0.06 2.01 2.01 -1.26 0.18 115.64 120.84 1j4o s THR 67 Ca 0.14 -0.65 0.09 0.00 0.31 0.00 0.00 61.69 61.57 1j4o s THR 67 Cb -0.12 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 1j4o s THR 67 CO 0.03 0.52 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.91 1j4o s PHE 68 N 0.32 2.44 -5.00 4.92 0.40 0.50 0.17 117.98 121.73 1j4o s PHE 68 Ca -0.10 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 1j4o s PHE 68 Cb -0.16 -1.40 0.00 0.00 0.51 0.00 0.00 43.02 41.97 1j4o s PHE 68 CO 0.06 0.23 0.00 0.41 0.70 0.00 0.00 175.22 176.62 1j4o n GLY 69 N 1.47 -1.09 0.00 4.36 0.00 -0.80 0.16 105.19 109.29 1j4o n GLY 69 Ca -0.17 -1.23 0.12 0.00 0.00 0.00 0.00 46.02 44.75 1j4o n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4o n ARG 70 N 0.00 0.99 -2.92 1.61 1.74 0.36 -2.20 116.66 116.24 1j4o n ARG 70 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 1j4o n ARG 70 Cb 0.00 -1.37 -0.04 0.00 -1.02 0.00 0.00 32.46 30.03 1j4o n ARG 70 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1j4o s ASN 71 N -1.74 7.09 0.20 0.55 2.47 0.15 -4.87 114.94 118.79 1j4o s ASN 71 Ca 0.35 1.32 0.18 0.00 0.42 0.00 0.00 52.86 55.13 1j4o s ASN 71 Cb 0.16 -2.46 0.85 0.00 -1.45 0.00 0.00 41.25 38.35 1j4o s ASN 71 CO 0.27 -0.21 1.56 -2.65 -3.72 0.00 0.00 177.10 172.35 1j4o n PRO 72 N 4.10 0.12 0.05 0.43 -0.02 -1.26 -1.77 135.00 136.64 1j4o n PRO 72 Ca 0.02 0.47 -0.22 0.00 -2.02 0.00 0.00 63.50 61.75 1j4o n PRO 72 Cb 0.51 -1.79 -0.14 0.00 -0.02 0.00 0.00 33.50 32.05 1j4o n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j4o h ALA 73 N 2.19 0.07 -0.97 3.55 0.00 -1.94 -3.47 119.26 118.69 1j4o h ALA 73 Ca 0.00 -1.00 -0.67 0.00 0.00 0.00 0.00 54.91 53.24 1j4o h ALA 73 Cb 0.19 0.36 0.09 0.00 0.00 0.00 0.00 17.79 18.44 1j4o h ALA 73 CO 0.00 0.77 -0.38 0.00 0.00 0.00 0.00 179.25 179.64 1j4o h ASP 75 N 1.41 0.00 -3.25 0.00 3.32 0.13 -3.36 116.42 114.68 1j4o h ASP 75 Ca -0.32 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.20 1j4o h ASP 75 Cb 1.39 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.56 1j4o h ASP 75 CO 0.57 0.00 -0.79 -0.47 -1.72 0.00 0.00 179.24 176.83 1j4o s TYR 76 N -3.85 1.49 -0.37 4.55 5.04 0.22 -4.91 117.35 119.51 1j4o s TYR 76 Ca -0.03 -0.84 -0.16 0.00 -2.44 0.00 0.00 57.07 53.60 1j4o s TYR 76 Cb 0.08 -1.22 0.00 0.00 0.35 0.00 0.00 41.96 41.17 1j4o s TYR 76 CO 0.25 -0.55 0.37 -1.58 -1.34 0.00 0.00 175.55 172.70 1j4o s HIS 77 N 1.71 3.20 0.00 4.97 2.46 -1.26 -1.90 115.29 124.47 1j4o s HIS 77 Ca 0.03 -0.21 0.00 0.00 0.47 0.00 0.00 55.06 55.34 1j4o s HIS 77 Cb -0.14 -2.71 0.00 0.00 -0.13 0.00 0.00 32.58 29.60 1j4o s HIS 77 CO -0.08 -0.53 0.00 1.28 -2.47 0.00 0.00 174.74 172.94 1j4o n LEU 78 N 5.40 0.00 0.00 8.88 4.77 -0.94 -4.79 117.00 130.33 1j4o n LEU 78 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1j4o n LEU 78 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1j4o n LEU 78 CO 0.42 -0.40 0.03 0.61 -1.33 0.00 0.00 177.39 176.72 1j4o n GLY 79 N 5.00 1.03 0.00 -0.72 0.00 -1.26 -4.94 105.19 104.31 1j4o n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1j4o n GLY 79 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1j4o n ASN 80 N -0.37 0.00 -4.29 1.61 0.23 -1.26 -5.04 115.26 106.14 1j4o n ASN 80 Ca 0.00 0.00 -0.36 0.00 -0.53 0.00 0.00 54.58 53.69 1j4o n ASN 80 Cb 0.00 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.57 1j4o n ASN 80 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1j4o s ILE 81 N 0.00 3.55 0.50 1.53 1.01 -1.26 -4.97 121.20 121.55 1j4o s ILE 81 Ca 0.00 -0.84 0.22 0.00 0.00 0.00 0.00 60.65 60.03 1j4o s ILE 81 Cb 0.00 -2.83 0.38 0.00 0.01 0.00 0.00 42.46 40.02 1j4o s ILE 81 CO 0.00 0.11 1.98 -1.28 0.00 0.00 0.00 174.94 175.75 1j4o h SER 82 N 8.15 0.12 0.04 3.58 0.87 -2.01 0.13 113.55 124.43 1j4o h SER 82 Ca -0.31 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.25 1j4o h SER 82 Cb 1.12 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1j4o h SER 82 CO 0.59 0.07 -0.03 -0.09 -0.53 0.00 0.00 176.83 176.83 1j4o h ARG 83 N 0.13 0.00 -6.27 2.24 9.65 -1.93 -3.42 114.38 114.79 1j4o h ARG 83 Ca 0.27 0.00 -0.55 0.00 -1.10 0.00 0.00 59.98 58.60 1j4o h ARG 83 Cb 0.90 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.45 1j4o h ARG 83 CO -0.03 0.03 -0.27 -0.51 2.80 0.00 0.00 179.97 181.99 1j4o s LEU 84 N -8.91 4.21 0.45 3.80 1.43 0.44 -4.58 118.68 115.51 1j4o s LEU 84 Ca -0.05 0.59 -0.00 0.00 -1.03 0.00 0.00 54.13 53.64 1j4o s LEU 84 Cb 0.17 -3.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.03 1j4o s LEU 84 CO 0.67 -0.03 0.67 -0.94 0.23 0.00 0.00 176.35 176.95 1j4o s SER 85 N -2.77 5.88 0.23 2.29 1.04 -1.26 -4.84 113.70 114.26 1j4o s SER 85 Ca 0.41 0.34 -0.15 0.00 0.48 0.00 0.00 55.95 57.03 1j4o s SER 85 Cb -0.11 -1.60 0.28 0.00 0.10 0.00 0.00 66.02 64.68 1j4o s SER 85 CO 0.27 -0.68 1.57 0.78 0.98 0.00 0.00 173.24 176.16 1j4o h ASN 86 N 0.40 -1.13 -3.34 7.02 2.35 -1.92 -2.35 115.58 116.60 1j4o h ASN 86 Ca -0.46 0.28 -0.62 0.00 -0.55 0.00 0.00 56.30 54.94 1j4o h ASN 86 Cb 1.25 0.64 -0.42 0.00 0.05 0.00 0.00 38.32 39.84 1j4o h ASN 86 CO 0.58 -0.29 -0.58 -0.54 -1.65 0.00 0.00 177.43 174.94 1j4o s LYS 87 N -6.08 2.38 0.15 0.81 1.02 -1.26 0.14 119.74 116.89 1j4o s LYS 87 Ca -0.14 -3.22 -0.16 0.00 0.02 0.00 0.00 55.97 52.46 1j4o s LYS 87 Cb 0.21 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 1j4o s LYS 87 CO 0.73 -1.25 1.78 1.25 -0.92 0.00 0.00 175.35 176.94 1j4o h HIS 88 N 5.60 0.51 -3.89 3.18 2.76 0.20 -3.35 115.15 120.15 1j4o h HIS 88 Ca 0.10 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.18 1j4o h HIS 88 Cb 0.78 -0.17 -0.14 0.00 1.55 0.00 0.00 27.41 29.43 1j4o h HIS 88 CO 0.66 0.36 -0.41 -0.59 -1.30 0.00 0.00 177.93 176.64 1j4o s PHE 89 N -6.02 0.25 0.01 5.26 -0.71 -0.42 0.15 117.98 116.50 1j4o s PHE 89 Ca -0.13 -0.68 0.02 0.00 -1.04 0.00 0.00 56.93 55.09 1j4o s PHE 89 Cb 0.10 -0.11 -0.01 0.00 -1.21 0.00 0.00 43.02 41.79 1j4o s PHE 89 CO 0.73 -0.54 -0.06 -1.14 -1.34 0.00 0.00 175.22 172.87 1j4o s GLN 90 N -3.89 0.43 -0.12 1.99 0.74 0.49 0.19 119.66 119.49 1j4o s GLN 90 Ca 0.07 -0.30 0.01 0.00 0.05 0.00 0.00 55.36 55.19 1j4o s GLN 90 Cb 0.05 -0.37 -0.01 0.00 1.10 0.00 0.00 33.01 33.78 1j4o s GLN 90 CO -0.09 0.09 -0.17 0.42 -0.55 0.00 0.00 175.29 174.99 1j4o s ILE 91 N -0.39 2.67 0.06 -2.34 1.01 0.47 0.19 121.20 122.86 1j4o s ILE 91 Ca -0.01 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 59.89 1j4o s ILE 91 Cb -0.04 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 1j4o s ILE 91 CO -0.00 0.54 -0.07 -1.48 0.00 0.00 0.00 174.94 173.93 1j4o s LEU 92 N 0.33 3.15 -0.12 2.97 2.34 0.01 0.20 118.68 127.56 1j4o s LEU 92 Ca -0.14 -0.25 0.01 0.00 0.06 0.00 0.00 54.13 53.82 1j4o s LEU 92 Cb -0.17 -1.88 0.02 0.00 -0.56 0.00 0.00 46.19 43.60 1j4o s LEU 92 CO 0.07 0.23 -0.15 -0.22 -1.06 0.00 0.00 176.35 175.22 1j4o s LEU 93 N -1.85 1.69 0.00 1.48 2.96 -0.21 -0.97 118.68 121.77 1j4o s LEU 93 Ca 0.20 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 1j4o s LEU 93 Cb -0.11 -1.11 0.00 0.00 0.50 0.00 0.00 46.19 45.47 1j4o s LEU 93 CO 0.11 -0.01 0.00 0.61 -1.32 0.00 0.00 176.35 175.74 1j4o n GLY 94 N 4.41 2.72 7.00 7.98 0.00 -1.18 -0.28 105.19 125.84 1j4o n GLY 94 Ca -0.18 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1j4o n GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j4o n GLU 95 N 0.00 0.00 -1.37 1.61 1.02 -1.26 -3.10 120.64 117.54 1j4o n GLU 95 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 1j4o n GLU 95 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 1j4o n GLU 95 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1j4o n ASP 96 N -3.06 7.89 0.00 1.62 9.92 -1.26 -4.47 116.55 127.19 1j4o n ASP 96 Ca 0.00 -2.67 0.00 0.00 -0.53 0.00 0.00 54.79 51.59 1j4o n ASP 96 Cb 0.00 -1.49 0.00 0.00 -0.64 0.00 0.00 41.12 38.99 1j4o n ASP 96 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1j4o n GLY 97 N 2.96 3.18 3.71 0.44 0.00 -1.21 -4.79 105.19 109.48 1j4o n GLY 97 Ca 0.68 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.28 1j4o n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1j4o n ASN 98 N 0.10 2.98 -4.75 1.61 4.13 -1.18 -4.85 115.26 113.30 1j4o n ASN 98 Ca 0.00 1.21 -0.28 0.00 1.68 0.00 0.00 54.58 57.18 1j4o n ASN 98 Cb 0.00 -1.51 -0.07 0.00 -1.54 0.00 0.00 39.78 36.67 1j4o n ASN 98 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1j4o s LEU 99 N -1.12 3.67 0.04 3.41 0.20 -1.26 -3.09 118.68 120.52 1j4o s LEU 99 Ca 0.56 -0.14 0.03 0.00 0.69 0.00 0.00 54.13 55.27 1j4o s LEU 99 Cb -0.55 -2.33 -0.02 0.00 -0.43 0.00 0.00 46.19 42.86 1j4o s LEU 99 CO 0.61 0.12 -0.11 -0.76 -0.29 0.00 0.00 176.35 175.93 1j4o s LEU 100 N -2.73 2.19 -0.17 -0.68 1.02 -0.15 -1.82 118.68 116.34 1j4o s LEU 100 Ca 0.29 -0.45 -0.02 0.00 0.02 0.00 0.00 54.13 53.97 1j4o s LEU 100 Cb -0.11 -0.39 -0.01 0.00 0.02 0.00 0.00 46.19 45.70 1j4o s LEU 100 CO 0.21 -0.06 -0.09 -0.76 0.02 0.00 0.00 176.35 175.68 1j4o s LEU 101 N -1.20 2.85 -0.24 1.79 1.43 -0.43 -0.81 118.68 122.07 1j4o s LEU 101 Ca -0.03 -0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1j4o s LEU 101 Cb -0.08 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.49 1j4o s LEU 101 CO 0.01 0.09 -0.10 0.21 0.23 0.00 0.00 176.35 176.79 1j4o s ASN 102 N 0.80 4.11 0.28 2.29 2.47 0.49 -2.35 114.94 123.03 1j4o s ASN 102 Ca -0.03 -0.91 -0.29 0.00 0.42 0.00 0.00 52.86 52.05 1j4o s ASN 102 Cb -0.15 -1.61 -0.09 0.00 -1.45 0.00 0.00 41.25 37.95 1j4o s ASN 102 CO 0.01 -0.11 1.00 1.51 -3.72 0.00 0.00 177.10 175.79 1j4o s ASP 103 N 1.28 7.40 -0.27 -4.21 1.47 -1.25 0.18 116.67 121.28 1j4o s ASP 103 Ca -0.00 2.03 0.18 0.00 1.18 0.00 0.00 52.55 55.94 1j4o s ASP 103 Cb -0.16 -2.61 0.45 0.00 -0.34 0.00 0.00 42.92 40.26 1j4o s ASP 103 CO -0.06 -0.03 1.27 2.30 0.68 0.00 0.00 175.17 179.33 1j4o n ILE 104 N 1.09 0.67 -3.84 2.11 -5.35 -0.52 0.19 119.36 113.71 1j4o n ILE 104 Ca -0.00 -1.97 -0.31 0.00 -0.27 0.00 0.00 62.75 60.20 1j4o n ILE 104 Cb 0.47 1.14 -0.04 0.00 -1.74 0.00 0.00 39.64 39.47 1j4o n ILE 104 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1j4o s SER 105 N -2.59 6.39 0.31 7.28 0.01 0.41 -4.19 113.70 121.33 1j4o s SER 105 Ca 0.20 0.36 0.10 0.00 1.31 0.00 0.00 55.95 57.91 1j4o s SER 105 Cb 0.36 -1.99 0.51 0.00 0.21 0.00 0.00 66.02 65.11 1j4o s SER 105 CO -0.08 0.12 1.71 0.74 0.41 0.00 0.00 173.24 176.14 1j4o h THR 106 N 2.00 1.33 0.00 1.44 2.02 -1.87 -3.17 112.91 114.67 1j4o h THR 106 Ca -0.46 -1.62 -0.01 0.00 0.77 0.00 0.00 66.41 65.09 1j4o h THR 106 Cb 1.17 1.82 -0.00 0.00 -1.74 0.00 0.00 68.15 69.40 1j4o h THR 106 CO 0.74 0.47 -1.83 0.59 0.37 0.00 0.00 175.52 175.86 1j4o n ASN 107 N -3.98 0.16 0.00 4.18 3.02 -1.26 -5.09 115.26 112.28 1j4o n ASN 107 Ca -0.02 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1j4o n ASN 107 Cb 0.50 1.68 0.00 0.00 -0.61 0.00 0.00 39.78 41.35 1j4o n ASN 107 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j4o n GLY 108 N 1.26 3.29 3.36 7.41 0.00 -1.20 -4.85 105.19 114.46 1j4o n GLY 108 Ca -0.04 -1.88 -0.32 0.00 0.00 0.00 0.00 46.02 43.79 1j4o n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j4o s THR 109 N -2.55 2.41 0.10 2.61 2.01 -1.26 -4.31 115.64 114.66 1j4o s THR 109 Ca 0.00 -0.96 0.09 0.00 0.31 0.00 0.00 61.69 61.13 1j4o s THR 109 Cb 0.00 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1j4o s THR 109 CO 0.00 0.58 -0.19 0.26 -0.69 0.00 0.00 174.62 174.57 1j4o s TRP 110 N -0.51 2.50 -0.22 4.92 0.51 0.38 -2.52 118.94 124.01 1j4o s TRP 110 Ca 0.07 -0.28 0.01 0.00 -2.12 0.00 0.00 56.10 53.78 1j4o s TRP 110 Cb -0.11 -1.35 0.05 0.00 -0.81 0.00 0.00 33.47 31.25 1j4o s TRP 110 CO 0.01 0.35 -0.08 -1.17 -0.51 0.00 0.00 176.95 175.55 1j4o s LEU 111 N -2.00 2.55 -1.67 2.99 2.96 0.13 0.16 118.68 123.81 1j4o s LEU 111 Ca 0.17 -1.07 -0.14 0.00 -0.22 0.00 0.00 54.13 52.86 1j4o s LEU 111 Cb -0.10 -1.25 0.13 0.00 0.50 0.00 0.00 46.19 45.46 1j4o s LEU 111 CO 0.09 -0.19 0.60 0.59 -1.32 0.00 0.00 176.35 176.12 1j4o n ASN 112 N 4.64 -2.02 0.00 3.68 3.02 -0.92 0.89 115.26 124.56 1j4o n ASN 112 Ca -0.13 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 1j4o n ASN 112 Cb 0.45 -2.46 0.00 0.00 -0.61 0.00 0.00 39.78 37.15 1j4o n ASN 112 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j4o n GLY 113 N -1.58 1.67 3.44 7.41 0.00 -1.26 -5.02 105.19 109.85 1j4o n GLY 113 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1j4o n GLY 113 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1j4o s GLN 114 N -0.41 3.44 -0.07 1.61 0.74 0.26 -5.06 119.66 120.16 1j4o s GLN 114 Ca 0.00 -0.64 -0.30 0.00 0.05 0.00 0.00 55.36 54.48 1j4o s GLN 114 Cb 0.00 -3.46 -0.04 0.00 1.10 0.00 0.00 33.01 30.61 1j4o s GLN 114 CO 0.00 -0.33 1.35 0.21 -0.55 0.00 0.00 175.29 175.97 1j4o s LYS 115 N 1.60 4.27 0.40 1.67 2.47 -1.26 0.20 119.74 129.09 1j4o s LYS 115 Ca 0.05 1.84 0.03 0.00 -1.56 0.00 0.00 55.97 56.32 1j4o s LYS 115 Cb -0.16 -3.68 -0.01 0.00 -1.46 0.00 0.00 37.83 32.52 1j4o s LYS 115 CO 0.05 -0.62 0.59 0.14 0.16 0.00 0.00 175.35 175.67 1j4o s VAL 116 N 2.90 4.07 0.05 4.02 -7.23 -1.05 -4.94 120.40 118.22 1j4o s VAL 116 Ca 0.60 -0.69 -0.31 0.00 -1.81 0.00 0.00 61.98 59.78 1j4o s VAL 116 Cb -0.27 -3.47 -0.07 0.00 0.56 0.00 0.00 36.38 33.14 1j4o s VAL 116 CO 0.22 -0.27 1.41 -0.70 -0.31 0.00 0.00 175.10 175.45 1j4o s GLU 117 N -4.40 4.30 0.99 4.82 2.12 -1.26 -4.64 118.70 120.62 1j4o s GLU 117 Ca 0.47 2.02 -0.14 0.00 0.36 0.00 0.00 54.97 57.68 1j4o s GLU 117 Cb -0.10 -3.44 0.07 0.00 0.26 0.00 0.00 34.13 30.92 1j4o s GLU 117 CO 0.35 -0.52 0.43 1.17 -0.54 0.00 0.00 175.26 176.15 1j4o n LYS 118 N 4.78 -0.66 -2.83 4.30 4.81 -1.26 -2.32 118.16 124.99 1j4o n LYS 118 Ca 0.12 -0.15 -0.17 0.00 -0.87 0.00 0.00 58.31 57.24 1j4o n LYS 118 Cb 0.43 -1.89 -0.03 0.00 0.02 0.00 0.00 35.03 33.56 1j4o n LYS 118 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1j4o n ASN 119 N -1.84 -0.99 -4.53 3.14 3.02 0.50 -4.85 115.26 109.71 1j4o n ASN 119 Ca 0.06 -0.34 -0.31 0.00 -0.03 0.00 0.00 54.58 53.95 1j4o n ASN 119 Cb 0.55 -0.90 -0.11 0.00 -0.61 0.00 0.00 39.78 38.70 1j4o n ASN 119 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1j4o s SER 120 N -2.02 4.24 -0.06 6.41 0.15 -0.98 -4.91 113.70 116.53 1j4o s SER 120 Ca 0.33 -0.29 -0.22 0.00 0.70 0.00 0.00 55.95 56.47 1j4o s SER 120 Cb -0.19 -0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 63.23 1j4o s SER 120 CO 0.40 0.26 0.65 0.20 1.20 0.00 0.00 173.24 175.95 1j4o s ASN 121 N -1.49 6.93 0.06 5.45 -0.87 -1.26 -3.91 114.94 119.84 1j4o s ASN 121 Ca 0.16 1.12 0.05 0.00 -1.57 0.00 0.00 52.86 52.63 1j4o s ASN 121 Cb -0.11 -2.38 -0.03 0.00 -0.02 0.00 0.00 41.25 38.71 1j4o s ASN 121 CO 0.07 -0.06 -0.15 -1.10 -2.57 0.00 0.00 177.10 173.29 1j4o s GLN 122 N 0.61 0.93 -0.30 -0.60 -1.52 -0.99 -4.92 119.66 112.87 1j4o s GLN 122 Ca 0.34 -0.87 -0.29 0.00 -1.95 0.00 0.00 55.36 52.59 1j4o s GLN 122 Cb -0.17 -0.96 -0.01 0.00 -0.22 0.00 0.00 33.01 31.65 1j4o s GLN 122 CO 0.17 0.23 1.49 -1.17 -0.25 0.00 0.00 175.29 175.76 1j4o s LEU 123 N -1.43 3.79 0.86 2.90 2.96 -1.26 -1.31 118.68 125.19 1j4o s LEU 123 Ca 0.01 1.29 -0.14 0.00 -0.22 0.00 0.00 54.13 55.07 1j4o s LEU 123 Cb -0.09 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.09 1j4o s LEU 123 CO 0.02 -1.28 0.56 -0.11 -1.32 0.00 0.00 176.35 174.22 1j4o n LEU 124 N 8.45 0.79 -4.33 -0.68 7.94 -0.76 -4.92 117.00 123.50 1j4o n LEU 124 Ca 0.17 0.45 -0.23 0.00 -1.11 0.00 0.00 56.01 55.29 1j4o n LEU 124 Cb 0.46 -1.26 -0.12 0.00 0.53 0.00 0.00 43.42 43.04 1j4o n LEU 124 CO 0.66 -3.19 -0.49 -0.44 -1.11 0.00 0.00 177.39 172.81 1j4o s SER 125 N -1.87 2.69 -0.03 1.96 0.01 -1.26 -4.95 113.70 110.25 1j4o s SER 125 Ca 0.62 -0.82 -0.30 0.00 1.31 0.00 0.00 55.95 56.76 1j4o s SER 125 Cb -0.26 -0.16 -0.05 0.00 0.21 0.00 0.00 66.02 65.76 1j4o s SER 125 CO 0.62 -0.00 1.44 -1.10 0.41 0.00 0.00 173.24 174.61 1j4o s GLN 126 N -2.56 4.25 -2.17 12.44 -1.52 -1.26 -2.34 119.66 126.50 1j4o s GLN 126 Ca 0.14 1.98 0.00 0.00 -1.95 0.00 0.00 55.36 55.53 1j4o s GLN 126 Cb -0.07 -3.69 0.00 0.00 -0.22 0.00 0.00 33.01 29.03 1j4o s GLN 126 CO 0.06 -0.66 0.00 0.41 -0.25 0.00 0.00 175.29 174.85 1j4o n GLY 127 N 3.76 1.73 3.26 3.09 0.00 -1.02 -4.94 105.19 111.06 1j4o n GLY 127 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1j4o n GLY 127 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1j4o n ASP 128 N -1.45 -2.60 -3.77 1.61 2.03 -0.99 -4.49 116.55 106.89 1j4o n ASP 128 Ca -0.21 -0.28 -0.13 0.00 0.52 0.00 0.00 54.79 54.69 1j4o n ASP 128 Cb 0.69 -0.98 -0.13 0.00 -0.72 0.00 0.00 41.12 39.98 1j4o n ASP 128 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1j4o s GLU 129 N -3.79 0.18 -0.13 -0.67 2.12 -1.26 0.13 118.70 115.28 1j4o s GLU 129 Ca 0.56 0.36 0.00 0.00 0.36 0.00 0.00 54.97 56.25 1j4o s GLU 129 Cb -0.13 -0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.23 1j4o s GLU 129 CO 0.59 -0.10 -0.15 0.42 -0.54 0.00 0.00 175.26 175.49 1j4o s ILE 130 N 0.66 2.84 -0.06 -3.70 1.01 0.42 -2.16 121.20 120.21 1j4o s ILE 130 Ca -0.05 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 1j4o s ILE 130 Cb -0.06 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 1j4o s ILE 130 CO -0.04 0.52 0.09 -0.89 0.00 0.00 0.00 174.94 174.62 1j4o s THR 131 N 0.50 4.91 0.05 2.92 2.01 0.42 0.31 115.64 126.76 1j4o s THR 131 Ca -0.10 -0.16 -0.01 0.00 0.31 0.00 0.00 61.69 61.72 1j4o s THR 131 Cb -0.16 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.14 1j4o s THR 131 CO 0.04 0.49 -0.02 0.68 -0.69 0.00 0.00 174.62 175.13 1j4o s VAL 132 N -1.08 0.20 -0.00 3.82 -7.23 0.26 0.14 120.40 116.51 1j4o s VAL 132 Ca 0.18 -1.64 -0.00 0.00 -1.81 0.00 0.00 61.98 58.72 1j4o s VAL 132 Cb -0.12 -1.32 0.00 0.00 0.56 0.00 0.00 36.38 35.50 1j4o s VAL 132 CO 0.08 -0.90 0.00 0.61 -0.31 0.00 0.00 175.10 174.58 1j4o n GLY 133 N 0.32 0.79 3.78 2.32 0.00 -1.26 0.55 105.19 111.69 1j4o n GLY 133 Ca -0.16 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 1j4o n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j4o s VAL 134 N -3.00 4.35 0.00 1.61 1.01 -1.26 -3.10 120.40 120.01 1j4o s VAL 134 Ca 0.00 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.69 1j4o s VAL 134 Cb -0.00 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1j4o s VAL 134 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1j4o n GLY 135 N 1.43 2.84 3.00 4.51 0.00 -1.26 -5.00 105.19 110.70 1j4o n GLY 135 Ca -0.05 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 1j4o n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j4o s VAL 136 N 0.00 1.33 0.51 1.61 1.01 -1.26 -5.01 120.40 118.58 1j4o s VAL 136 Ca 0.00 -0.51 0.30 0.00 0.00 0.00 0.00 61.98 61.77 1j4o s VAL 136 Cb 0.00 -1.26 0.48 0.00 0.00 0.00 0.00 36.38 35.61 1j4o s VAL 136 CO 0.00 0.41 1.84 -0.08 0.00 0.00 0.00 175.10 177.27 1j4o h GLU 137 N 7.74 0.09 -0.37 2.72 4.81 -1.98 0.75 114.58 128.34 1j4o h GLU 137 Ca -0.33 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1j4o h GLU 137 Cb 1.15 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1j4o h GLU 137 CO 0.47 0.06 0.00 0.43 -0.73 0.00 0.00 179.01 179.25 1j4o n SER 138 N -4.32 2.58 -0.66 1.04 7.64 -1.26 -4.17 113.62 114.47 1j4o n SER 138 Ca 0.22 -1.91 0.06 0.00 1.01 0.00 0.00 58.87 58.25 1j4o n SER 138 Cb 1.02 -0.25 0.13 0.00 -1.01 0.00 0.00 64.21 64.10 1j4o n SER 138 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1j4o n ASP 139 N 0.91 1.52 -4.67 6.43 -0.08 0.26 -5.04 116.55 115.89 1j4o n ASP 139 Ca 0.17 -3.11 -0.35 0.00 -1.51 0.00 0.00 54.79 50.00 1j4o n ASP 139 Cb 0.44 -0.42 -0.10 0.00 2.34 0.00 0.00 41.12 43.38 1j4o n ASP 139 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1j4o s ILE 140 N -2.12 4.22 -0.05 5.18 1.01 -1.17 -4.44 121.20 123.83 1j4o s ILE 140 Ca 0.32 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.72 1j4o s ILE 140 Cb 0.31 -2.77 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 1j4o s ILE 140 CO -0.06 0.60 -0.19 -0.22 0.00 0.00 0.00 174.94 175.07 1j4o s LEU 141 N -0.89 1.94 0.11 2.97 0.20 0.19 -4.96 118.68 118.24 1j4o s LEU 141 Ca 0.13 -0.39 0.06 0.00 0.69 0.00 0.00 54.13 54.62 1j4o s LEU 141 Cb -0.11 -1.06 -0.04 0.00 -0.43 0.00 0.00 46.19 44.55 1j4o s LEU 141 CO 0.02 0.16 -0.02 -0.55 -0.29 0.00 0.00 176.35 175.68 1j4o s SER 142 N 0.06 4.85 -0.01 3.68 0.15 -1.26 0.89 113.70 122.05 1j4o s SER 142 Ca -0.05 -0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.35 1j4o s SER 142 Cb -0.12 -1.09 -0.00 0.00 -1.71 0.00 0.00 66.02 63.10 1j4o s SER 142 CO 0.03 0.16 -0.04 -0.76 1.20 0.00 0.00 173.24 173.82 1j4o s LEU 143 N -2.42 1.95 -0.11 3.45 2.01 0.15 -3.87 118.68 119.83 1j4o s LEU 143 Ca 0.25 -0.08 -0.01 0.00 0.01 0.00 0.00 54.13 54.31 1j4o s LEU 143 Cb -0.11 -0.23 -0.02 0.00 0.01 0.00 0.00 46.19 45.83 1j4o s LEU 143 CO 0.17 0.04 -0.08 -0.69 1.01 0.00 0.00 176.35 176.81 1j4o s VAL 144 N -0.02 3.56 -0.17 -1.59 1.01 0.32 0.16 120.40 123.67 1j4o s VAL 144 Ca 0.01 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 1j4o s VAL 144 Cb -0.03 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1j4o s VAL 144 CO -0.00 0.54 0.03 -0.63 0.00 0.00 0.00 175.10 175.04 1j4o s ILE 145 N -0.07 4.51 -0.20 2.22 1.01 0.12 0.12 121.20 128.91 1j4o s ILE 145 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.50 1j4o s ILE 145 Cb -0.13 -3.01 0.01 0.00 0.01 0.00 0.00 42.46 39.33 1j4o s ILE 145 CO 0.03 0.48 -0.13 -0.36 0.00 0.00 0.00 174.94 174.96 1j4o s PHE 146 N 0.25 2.86 0.02 3.97 0.08 0.30 -2.34 117.98 123.12 1j4o s PHE 146 Ca 0.02 -1.34 -0.24 0.00 0.12 0.00 0.00 56.93 55.49 1j4o s PHE 146 Cb -0.13 -2.00 -0.05 0.00 -0.57 0.00 0.00 43.02 40.27 1j4o s PHE 146 CO 0.01 -0.70 0.71 0.42 -0.10 0.00 0.00 175.22 175.56 1j4o s ILE 147 N 1.37 4.81 -0.32 0.64 1.01 -1.26 0.11 121.20 127.56 1j4o s ILE 147 Ca 0.05 1.50 -0.29 0.00 0.00 0.00 0.00 60.65 61.92 1j4o s ILE 147 Cb -0.14 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.28 1j4o s ILE 147 CO -0.09 0.37 1.31 0.21 0.00 0.00 0.00 174.94 176.74 1j4o s ASN 148 N -0.02 6.64 0.36 3.58 2.47 -1.25 -4.89 114.94 121.82 1j4o s ASN 148 Ca 0.36 1.14 0.05 0.00 0.42 0.00 0.00 52.86 54.84 1j4o s ASN 148 Cb -0.20 -2.54 0.68 0.00 -1.45 0.00 0.00 41.25 37.75 1j4o s ASN 148 CO 0.21 -1.12 1.92 0.44 -3.72 0.00 0.00 177.10 174.83 1j4o h ASP 149 N 9.43 0.47 -0.38 -4.21 3.32 -1.95 -2.64 116.42 120.46 1j4o h ASP 149 Ca -0.26 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1j4o h ASP 149 Cb 1.10 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 1j4o h ASP 149 CO 1.04 0.49 0.25 0.50 -1.72 0.00 0.00 179.24 179.80 1j4o h LYS 150 N 0.50 0.51 -0.53 3.56 3.64 -1.90 -1.73 116.57 120.61 1j4o h LYS 150 Ca 0.11 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1j4o h LYS 150 Cb 0.23 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1j4o h LYS 150 CO 0.00 0.35 0.34 0.35 -2.27 0.00 0.00 179.45 178.22 1j4o h PHE 151 N 0.52 0.67 -0.59 1.91 3.57 -1.73 -2.14 116.94 119.15 1j4o h PHE 151 Ca 0.14 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1j4o h PHE 151 Cb -0.05 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 1j4o h PHE 151 CO -0.05 0.43 0.39 0.87 -2.23 0.00 0.00 178.31 177.72 1j4o h LYS 152 N 0.72 0.77 -0.74 1.11 1.57 -1.21 -1.81 116.57 116.98 1j4o h LYS 152 Ca 0.19 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1j4o h LYS 152 Cb -0.07 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 1j4o h LYS 152 CO -0.04 0.51 0.24 1.96 -0.57 0.00 0.00 179.45 181.55 1j4o h GLN 153 N 0.80 1.15 -0.27 3.15 4.20 -0.67 0.20 115.11 123.66 1j4o h GLN 153 Ca 0.21 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 1j4o h GLN 153 Cb -0.09 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 1j4o h GLN 153 CO -0.05 0.97 -0.10 0.00 -0.67 0.00 0.00 178.83 178.98 1j4o h LEU 155 N 0.29 0.89 -0.91 0.00 -0.00 -1.19 0.18 115.31 114.58 1j4o h LEU 155 Ca 0.06 -0.34 0.08 0.00 -0.00 0.00 0.00 57.88 57.68 1j4o h LEU 155 Cb 0.60 -0.25 -0.07 0.00 -0.00 0.00 0.00 40.66 40.95 1j4o h LEU 155 CO 0.03 1.09 0.56 -0.33 -0.00 0.00 0.00 178.44 179.80 1j4o h GLU 156 N 0.75 0.96 0.00 1.13 5.08 -0.57 -1.95 114.58 119.99 1j4o h GLU 156 Ca 0.10 -0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.18 1j4o h GLU 156 Cb 0.79 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1j4o h GLU 156 CO 0.07 0.64 -1.21 0.37 -1.00 0.00 0.00 179.01 177.87 1j4o h GLN 157 N 0.99 0.00 -6.45 2.33 4.15 -1.35 -3.49 115.11 111.29 1j4o h GLN 157 Ca 0.41 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 59.46 1j4o h GLN 157 Cb 0.24 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.95 1j4o h GLN 157 CO -0.20 0.68 -1.07 0.27 -1.93 0.00 0.00 178.83 176.58 1j4o n ASN 158 N -3.18 -5.63 -4.37 -0.69 0.23 0.63 -4.94 115.26 97.31 1j4o n ASN 158 Ca -0.06 -0.32 -0.38 0.00 -0.53 0.00 0.00 54.58 53.29 1j4o n ASN 158 Cb 0.94 -2.13 -0.12 0.00 -2.08 0.00 0.00 39.78 36.38 1j4o n ASN 158 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1j4o s LYS 159 N -3.18 3.09 -0.29 -3.83 2.47 -1.26 -5.06 119.74 111.68 1j4o s LYS 159 Ca 0.25 -0.87 -0.29 0.00 -1.56 0.00 0.00 55.97 53.50 1j4o s LYS 159 Cb -0.03 -3.50 0.00 0.00 -1.46 0.00 0.00 37.83 32.84 1j4o s LYS 159 CO 0.87 -0.49 1.23 0.14 0.16 0.00 0.00 175.35 177.25 1j4o s VAL 160 N 1.54 4.27 0.00 4.02 -7.23 -1.26 -4.90 120.40 116.83 1j4o s VAL 160 Ca 0.03 1.45 0.00 0.00 -1.81 0.00 0.00 61.98 61.65 1j4o s VAL 160 Cb -0.18 -4.21 0.00 0.00 0.56 0.00 0.00 36.38 32.55 1j4o s VAL 160 CO 0.04 -0.44 0.00 -0.90 -0.31 0.00 0.00 175.10 173.50 1j4o n ASP 161 N 7.27 0.00 -1.82 4.85 5.68 -1.26 -4.88 116.55 126.39 1j4o n ASP 161 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.43 1j4o n ASP 161 Cb 0.46 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 1j4o n ASP 161 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1j4o n ARG 162 N 0.00 -5.15 -4.13 0.11 3.00 -1.26 -4.94 116.66 104.29 1j4o n ARG 162 Ca 0.00 3.77 -0.34 0.00 -0.01 0.00 0.00 57.85 61.26 1j4o n ARG 162 Cb 0.00 -4.19 -0.10 0.00 0.00 0.00 0.00 32.46 28.17 1j4o n ARG 162 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1j4o s ILE 163 N -2.66 4.52 0.00 0.55 -5.25 -1.26 -5.22 121.20 111.87 1j4o s ILE 163 Ca 0.00 -0.13 0.00 0.00 -0.99 0.00 0.00 60.65 59.53 1j4o s ILE 163 Cb 0.00 -3.02 0.00 0.00 2.95 0.00 0.00 42.46 42.39 1j4o s ILE 163 CO 0.00 0.47 0.00 -2.11 -1.79 0.00 0.00 174.94 171.51