#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqi n THR 15 N 0.00 0.00 -0.07 0.00 5.66 -1.26 -4.57 114.28 114.04 2jqi n THR 15 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 2jqi n THR 15 Cb 0.00 -0.79 -0.04 0.00 -1.55 0.00 0.00 70.33 67.95 2jqi n THR 15 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 2jqi h GLN 16 N 0.00 0.34 -0.76 1.09 4.20 -2.06 -2.12 115.11 115.80 2jqi h GLN 16 Ca 0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2jqi h GLN 16 Cb 0.80 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.49 2jqi h GLN 16 CO 0.00 0.41 0.48 0.00 -0.67 0.00 0.00 178.83 179.05 2jqi h ARG 17 N 0.20 1.02 -0.82 1.46 3.08 -2.01 -2.13 114.38 115.19 2jqi h ARG 17 Ca 0.07 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.06 2jqi h ARG 17 Cb 0.21 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 2jqi h ARG 17 CO -0.00 0.70 0.54 0.35 -1.07 0.00 0.00 179.97 180.49 2jqi h PHE 18 N 1.04 1.02 -0.20 3.04 3.57 -1.76 -1.12 116.94 122.52 2jqi h PHE 18 Ca 0.27 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 2jqi h PHE 18 Cb -0.07 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.32 2jqi h PHE 18 CO -0.01 0.63 0.03 1.25 -2.23 0.00 0.00 178.31 177.98 2jqi h LEU 19 N 1.09 0.26 -0.41 0.59 5.85 -0.71 -2.02 115.31 119.96 2jqi h LEU 19 Ca 0.31 -0.03 -0.18 0.00 0.84 0.00 0.00 57.88 58.82 2jqi h LEU 19 Cb -0.09 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 2jqi h LEU 19 CO -0.07 0.28 -0.70 0.40 -0.34 0.00 0.00 178.44 178.01 2jqi h ILE 20 N 0.29 1.36 -1.01 4.05 2.04 -0.97 -3.14 117.51 120.13 2jqi h ILE 20 Ca 0.07 -2.07 0.06 0.00 1.00 0.00 0.00 64.86 63.92 2jqi h ILE 20 Cb 0.14 2.05 -0.07 0.00 -0.74 0.00 0.00 36.82 38.21 2jqi h ILE 20 CO -0.00 0.63 0.65 -0.08 0.00 0.00 0.00 178.15 179.35 2jqi h GLU 21 N 0.31 1.16 0.00 2.37 4.57 -0.85 0.66 114.58 122.81 2jqi h GLU 21 Ca -0.03 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.06 2jqi h GLU 21 Cb 1.28 -0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 29.60 2jqi h GLU 21 CO 0.12 0.77 -0.13 -0.22 -1.18 0.00 0.00 179.01 178.37 2jqi h LYS 22 N 1.20 0.00 -0.39 1.92 3.64 -1.48 -2.75 116.57 118.72 2jqi h LYS 22 Ca 0.43 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.85 2jqi h LYS 22 Cb 0.14 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 2jqi h LYS 22 CO -0.16 0.13 0.14 0.35 -2.27 0.00 0.00 179.45 177.64 2jqi h PHE 23 N 0.00 0.25 0.08 1.91 3.04 -0.85 -2.71 116.94 118.67 2jqi h PHE 23 Ca -0.00 0.02 -0.26 0.00 3.98 0.00 0.00 57.97 61.70 2jqi h PHE 23 Cb 0.46 -0.06 0.01 0.00 2.56 0.00 0.00 35.95 38.92 2jqi h PHE 23 CO 0.00 0.10 -1.14 0.77 -2.02 0.00 0.00 178.31 176.03 2jqi h SER 24 N 0.30 0.58 -5.28 0.41 0.02 -1.56 -3.49 113.55 104.53 2jqi h SER 24 Ca 0.18 -0.54 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 2jqi h SER 24 Cb 0.15 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2jqi h SER 24 CO -0.18 1.37 -0.57 1.67 -1.14 0.00 0.00 176.83 177.98 2jqi n GLN 25 N -3.68 -2.52 -2.79 3.45 7.27 -1.02 -4.98 117.38 113.11 2jqi n GLN 25 Ca -0.09 2.20 -0.33 0.00 0.07 0.00 0.00 57.00 58.85 2jqi n GLN 25 Cb 0.95 -5.59 -0.06 0.00 2.41 0.00 0.00 30.24 27.94 2jqi n GLN 25 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2jqi s GLU 26 N -2.48 4.15 -0.17 3.69 2.12 -1.26 -5.05 118.70 119.69 2jqi s GLU 26 Ca 0.22 1.03 -0.13 0.00 0.36 0.00 0.00 54.97 56.45 2jqi s GLU 26 Cb -0.06 -2.20 -0.05 0.00 0.26 0.00 0.00 34.13 32.08 2jqi s GLU 26 CO 0.77 -0.05 0.28 -1.14 -0.54 0.00 0.00 175.26 174.58 2jqi s GLN 27 N -3.32 4.23 0.16 4.30 2.00 -1.26 -5.07 119.66 120.71 2jqi s GLN 27 Ca 0.60 0.05 -0.27 0.00 -2.00 0.00 0.00 55.36 53.74 2jqi s GLN 27 Cb -0.09 -3.45 -0.08 0.00 0.80 0.00 0.00 33.01 30.19 2jqi s GLN 27 CO 0.17 0.20 0.85 0.42 -0.50 0.00 0.00 175.29 176.43 2jqi s ILE 28 N 0.60 4.35 -1.43 -2.34 -1.09 -1.26 -4.97 121.20 115.07 2jqi s ILE 28 Ca 0.15 1.87 -0.11 0.00 -2.23 0.00 0.00 60.65 60.34 2jqi s ILE 28 Cb -0.13 -4.22 0.06 0.00 -1.58 0.00 0.00 42.46 36.58 2jqi s ILE 28 CO 0.04 0.46 2.31 0.61 -1.23 0.00 0.00 174.94 177.12 2jqi n GLY 29 N 1.78 4.57 0.31 6.18 0.00 -1.26 -4.69 105.19 112.09 2jqi n GLY 29 Ca -0.03 -1.76 -0.07 0.00 0.00 0.00 0.00 46.02 44.16 2jqi n GLY 29 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2jqi h GLU 30 N 5.56 1.04 0.00 1.61 4.11 -2.02 -3.41 114.58 121.47 2jqi h GLU 30 Ca 0.60 -0.27 0.00 0.00 0.07 0.00 0.00 59.36 59.76 2jqi h GLU 30 Cb 0.52 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2jqi h GLU 30 CO 1.75 0.96 0.00 0.09 0.07 0.00 0.00 179.01 181.88 2jqi n ASN 31 N -4.22 0.00 -4.73 3.06 3.02 -1.26 -5.07 115.26 106.06 2jqi n ASN 31 Ca 0.04 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.18 2jqi n ASN 31 Cb 0.29 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.42 2jqi n ASN 31 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jqi s ILE 32 N 0.00 3.90 -0.13 2.41 -1.09 -1.26 -0.84 121.20 124.19 2jqi s ILE 32 Ca 0.00 1.57 -0.10 0.00 -2.23 0.00 0.00 60.65 59.89 2jqi s ILE 32 Cb 0.00 -4.00 -0.03 0.00 -1.58 0.00 0.00 42.46 36.85 2jqi s ILE 32 CO 0.00 0.24 -0.19 0.52 -1.23 0.00 0.00 174.94 174.28 2jqi n VAL 33 N 2.71 1.21 -3.68 2.92 0.31 0.10 -4.41 118.33 117.49 2jqi n VAL 33 Ca 0.04 0.25 -0.13 0.00 -0.01 0.00 0.00 64.34 64.49 2jqi n VAL 33 Cb 0.46 -2.24 -0.09 0.00 -0.91 0.00 0.00 33.84 31.06 2jqi n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jqi s ARG 35 N 0.53 2.65 -0.14 0.00 1.04 0.14 -1.33 118.95 121.84 2jqi s ARG 35 Ca -0.02 -0.69 -0.13 0.00 -1.04 0.00 0.00 55.73 53.85 2jqi s ARG 35 Cb -0.04 -2.42 -0.05 0.00 -2.04 0.00 0.00 34.95 30.39 2jqi s ARG 35 CO -0.03 0.56 0.29 0.08 -0.04 0.00 0.00 175.30 176.17 2jqi s VAL 36 N -0.57 5.29 -0.18 4.99 1.01 -0.87 0.10 120.40 130.18 2jqi s VAL 36 Ca 0.08 0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.62 2jqi s VAL 36 Cb -0.11 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.68 2jqi s VAL 36 CO 0.01 0.43 -0.12 -0.63 0.00 0.00 0.00 175.10 174.80 2jqi s ILE 37 N 0.16 1.58 -0.47 2.22 1.01 0.33 -2.33 121.20 123.69 2jqi s ILE 37 Ca 0.17 -0.83 -0.23 0.00 0.00 0.00 0.00 60.65 59.77 2jqi s ILE 37 Cb -0.13 -1.59 0.03 0.00 0.01 0.00 0.00 42.46 40.78 2jqi s ILE 37 CO 0.05 0.29 0.77 0.00 0.00 0.00 0.00 174.94 176.05 2jqi n THR 39 N 6.06 0.41 1.69 0.00 -2.24 -1.26 -3.99 114.28 114.95 2jqi n THR 39 Ca 0.01 -0.54 0.15 0.00 -2.27 0.00 0.00 64.05 61.41 2jqi n THR 39 Cb 0.48 -0.22 0.84 0.00 -2.10 0.00 0.00 70.33 69.33 2jqi n THR 39 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2jqi n THR 40 N -2.53 0.01 -1.91 4.28 -2.24 -1.26 -4.95 114.28 105.67 2jqi n THR 40 Ca -0.02 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.75 2jqi n THR 40 Cb 0.56 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 2jqi n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jqi n GLY 41 N 1.13 -0.73 0.20 3.38 0.00 -1.26 -5.01 105.19 102.90 2jqi n GLY 41 Ca 0.19 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2jqi n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jqi n GLN 42 N -0.80 0.00 -4.27 1.61 6.02 -1.26 -5.12 117.38 113.55 2jqi n GLN 42 Ca 0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.84 2jqi n GLN 42 Cb 0.30 -0.27 -0.14 0.00 1.02 0.00 0.00 30.24 31.15 2jqi n GLN 42 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2jqi s ILE 43 N -1.10 0.64 0.41 5.09 1.01 -1.26 -4.22 121.20 121.77 2jqi s ILE 43 Ca 0.00 -0.46 -0.24 0.00 0.00 0.00 0.00 60.65 59.96 2jqi s ILE 43 Cb 0.00 -0.56 -0.09 0.00 0.01 0.00 0.00 42.46 41.83 2jqi s ILE 43 CO 0.00 0.10 1.08 -2.16 0.00 0.00 0.00 174.94 173.96 2jqi s PRO 44 N -0.40 4.08 0.67 2.79 0.04 -1.26 -3.98 135.00 136.93 2jqi s PRO 44 Ca 0.02 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 62.46 2jqi s PRO 44 Cb -0.04 -2.51 -0.02 0.00 0.04 0.00 0.00 34.50 31.97 2jqi s PRO 44 CO -0.00 -0.23 0.99 -0.89 0.04 0.00 0.00 177.00 176.90 2jqi n ILE 45 N -0.16 3.42 -3.76 0.56 5.41 -1.26 -4.82 119.36 118.75 2jqi n ILE 45 Ca 0.05 -0.44 -0.10 0.00 1.00 0.00 0.00 62.75 63.27 2jqi n ILE 45 Cb 0.49 -1.15 -0.06 0.00 -0.71 0.00 0.00 39.64 38.21 2jqi n ILE 45 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2jqi s ARG 46 N -3.10 0.91 -0.17 0.38 3.52 -0.98 -5.03 118.95 114.48 2jqi s ARG 46 Ca 0.76 -0.80 0.01 0.00 -0.13 0.00 0.00 55.73 55.56 2jqi s ARG 46 Cb -0.38 0.39 0.01 0.00 -1.56 0.00 0.00 34.95 33.41 2jqi s ARG 46 CO 0.48 -0.32 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.95 2jqi s ASP 47 N -2.71 3.23 -0.05 -2.12 1.11 -1.26 -2.04 116.67 112.83 2jqi s ASP 47 Ca 0.03 -0.61 -0.14 0.00 0.18 0.00 0.00 52.55 52.01 2jqi s ASP 47 Cb 0.03 -1.49 -0.05 0.00 1.07 0.00 0.00 42.92 42.47 2jqi s ASP 47 CO -0.10 0.02 0.36 -0.76 1.18 0.00 0.00 175.17 175.87 2jqi s LEU 48 N 1.15 4.41 0.05 1.23 1.43 -0.44 -4.98 118.68 121.54 2jqi s LEU 48 Ca 0.01 0.82 -0.04 0.00 -1.03 0.00 0.00 54.13 53.89 2jqi s LEU 48 Cb -0.14 -2.49 -0.02 0.00 0.03 0.00 0.00 46.19 43.57 2jqi s LEU 48 CO -0.09 0.28 0.05 -0.94 0.23 0.00 0.00 176.35 175.88 2jqi s SER 49 N -0.71 0.31 0.00 2.29 1.04 -1.26 0.02 113.70 115.39 2jqi s SER 49 Ca 0.22 -0.77 -0.01 0.00 0.48 0.00 0.00 55.95 55.87 2jqi s SER 49 Cb -0.15 0.23 -0.00 0.00 0.10 0.00 0.00 66.02 66.20 2jqi s SER 49 CO 0.10 -0.59 0.01 0.00 0.98 0.00 0.00 173.24 173.74 2jqi s ALA 50 N -3.45 -0.01 -0.37 5.32 0.00 -0.02 -4.79 121.76 118.44 2jqi s ALA 50 Ca 0.02 -0.15 -0.24 0.00 0.00 0.00 0.00 51.96 51.59 2jqi s ALA 50 Cb 0.04 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.20 2jqi s ALA 50 CO -0.08 -0.06 0.84 -0.51 0.00 0.00 0.00 175.76 175.94 2jqi s ASP 51 N -0.49 6.59 0.18 0.00 1.01 -1.26 -4.67 116.67 118.02 2jqi s ASP 51 Ca -0.05 0.40 -0.11 0.00 0.71 0.00 0.00 52.55 53.50 2jqi s ASP 51 Cb -0.03 -2.42 0.08 0.00 1.01 0.00 0.00 42.92 41.56 2jqi s ASP 51 CO -0.00 -0.80 1.70 0.40 0.21 0.00 0.00 175.17 176.68 2jqi h ILE 52 N 5.80 1.25 -0.89 0.77 2.04 -1.98 -2.83 117.51 121.68 2jqi h ILE 52 Ca -0.24 -0.90 0.08 0.00 1.00 0.00 0.00 64.86 64.80 2jqi h ILE 52 Cb 1.09 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 2jqi h ILE 52 CO 0.94 0.34 0.58 -1.28 0.00 0.00 0.00 178.15 178.73 2jqi h SER 53 N 0.91 0.84 -0.19 1.72 0.87 -2.00 -0.50 113.55 115.22 2jqi h SER 53 Ca 0.20 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.65 2jqi h SER 53 Cb 0.33 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 2jqi h SER 53 CO -0.00 0.52 -0.30 1.56 -0.53 0.00 0.00 176.83 178.08 2jqi h GLN 54 N 0.95 0.68 0.01 2.24 1.08 -1.94 -2.79 115.11 115.34 2jqi h GLN 54 Ca 0.40 -0.30 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2jqi h GLN 54 Cb 0.30 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 2jqi h GLN 54 CO -0.16 0.90 -0.00 0.28 -0.95 0.00 0.00 178.83 178.90 2jqi h VAL 55 N 0.58 1.26 -0.20 -0.54 2.07 -0.93 -1.79 116.25 116.70 2jqi h VAL 55 Ca 0.07 -0.78 0.06 0.00 0.82 0.00 0.00 66.70 66.87 2jqi h VAL 55 Cb 0.81 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 2jqi h VAL 55 CO 0.07 0.20 0.17 -0.07 0.02 0.00 0.00 177.57 177.96 2jqi h LEU 56 N -0.34 0.00 0.06 2.57 4.07 -1.15 -0.56 115.31 119.96 2jqi h LEU 56 Ca -0.00 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.72 2jqi h LEU 56 Cb 0.33 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 2jqi h LEU 56 CO 0.00 0.00 -1.13 0.50 -1.08 0.00 0.00 178.44 176.74 2jqi h LYS 57 N 0.00 0.16 -5.21 1.13 1.63 -1.27 -3.43 116.57 109.57 2jqi h LYS 57 Ca 0.10 -0.26 -0.62 0.00 -0.85 0.00 0.00 60.65 59.02 2jqi h LYS 57 Cb 0.44 0.10 -0.14 0.00 -0.60 0.00 0.00 32.23 32.03 2jqi h LYS 57 CO -0.00 1.12 -0.32 -2.00 -3.45 0.00 0.00 179.45 174.80 2jqi s GLU 58 N -2.71 4.08 -0.97 1.90 2.56 -0.22 -5.03 118.70 118.33 2jqi s GLU 58 Ca -0.02 -0.02 -0.18 0.00 0.00 0.00 0.00 54.97 54.76 2jqi s GLU 58 Cb 0.08 -3.58 0.14 0.00 2.00 0.00 0.00 34.13 32.77 2jqi s GLU 58 CO 0.86 -0.09 1.16 0.15 -0.56 0.00 0.00 175.26 176.77 2jqi s LYS 59 N 1.51 3.67 0.29 4.30 -0.14 -1.26 -4.81 119.74 123.30 2jqi s LYS 59 Ca 0.14 -1.90 -0.15 0.00 -1.36 0.00 0.00 55.97 52.70 2jqi s LYS 59 Cb -0.15 -4.93 0.01 0.00 -1.68 0.00 0.00 37.83 31.09 2jqi s LYS 59 CO 0.08 -1.76 0.61 0.50 -0.76 0.00 0.00 175.35 174.02 2jqi s ARG 60 N 2.46 1.79 -0.39 1.68 6.06 -1.26 -5.04 118.95 124.25 2jqi s ARG 60 Ca 0.34 -1.24 0.04 0.00 -2.50 0.00 0.00 55.73 52.36 2jqi s ARG 60 Cb -0.05 0.54 0.59 0.00 0.06 0.00 0.00 34.95 36.10 2jqi s ARG 60 CO -0.08 -0.79 1.80 0.43 -2.50 0.00 0.00 175.30 174.16 2jqi n SER 61 N -0.69 3.68 -3.73 -2.12 7.64 -1.26 -4.79 113.62 112.36 2jqi n SER 61 Ca -0.03 -3.40 -0.14 0.00 1.01 0.00 0.00 58.87 56.31 2jqi n SER 61 Cb 0.61 -0.80 -0.09 0.00 -1.01 0.00 0.00 64.21 62.92 2jqi n SER 61 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2jqi s ILE 62 N -2.89 0.03 0.03 0.44 1.10 -1.26 -2.72 121.20 115.92 2jqi s ILE 62 Ca 0.50 -0.21 -0.00 0.00 -0.51 0.00 0.00 60.65 60.43 2jqi s ILE 62 Cb 0.42 -0.63 -0.00 0.00 0.15 0.00 0.00 42.46 42.40 2jqi s ILE 62 CO 0.10 -0.12 -0.00 0.29 -2.11 0.00 0.00 174.94 173.10 2jqi n LYS 63 N 1.96 0.00 -3.69 3.50 5.02 0.81 -4.92 118.16 120.84 2jqi n LYS 63 Ca -0.18 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 55.98 2jqi n LYS 63 Cb 0.57 -0.16 -0.09 0.00 -0.02 0.00 0.00 35.03 35.33 2jqi n LYS 63 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2jqi s LYS 64 N -1.30 0.65 -0.02 1.97 2.20 -1.14 -5.01 119.74 117.09 2jqi s LYS 64 Ca -0.00 0.49 0.05 0.00 -0.36 0.00 0.00 55.97 56.15 2jqi s LYS 64 Cb 0.00 0.31 -0.01 0.00 -1.51 0.00 0.00 37.83 36.62 2jqi s LYS 64 CO 0.00 -0.12 -0.16 0.08 -0.36 0.00 0.00 175.35 174.79 2jqi s VAL 65 N -0.16 1.29 -0.09 4.02 1.01 -1.26 -1.30 120.40 123.90 2jqi s VAL 65 Ca -0.03 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 2jqi s VAL 65 Cb -0.03 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 2jqi s VAL 65 CO 0.02 0.37 -0.02 0.26 0.00 0.00 0.00 175.10 175.73 2jqi s TRP 66 N -0.33 3.10 -0.18 5.22 0.51 0.52 -4.91 118.94 122.88 2jqi s TRP 66 Ca 0.05 0.10 -0.03 0.00 -2.12 0.00 0.00 56.10 54.10 2jqi s TRP 66 Cb -0.07 -1.80 -0.02 0.00 -0.81 0.00 0.00 33.47 30.77 2jqi s TRP 66 CO -0.00 0.38 -0.05 0.99 -0.51 0.00 0.00 176.95 177.75 2jqi s THR 67 N -0.69 3.60 0.01 2.01 2.01 -1.26 0.17 115.64 121.49 2jqi s THR 67 Ca 0.11 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 61.68 2jqi s THR 67 Cb -0.12 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 2jqi s THR 67 CO 0.02 0.47 0.02 -0.36 -0.69 0.00 0.00 174.62 174.07 2jqi s PHE 68 N 0.79 3.10 -3.53 4.92 0.40 0.60 0.12 117.98 124.38 2jqi s PHE 68 Ca -0.02 0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.40 2jqi s PHE 68 Cb -0.15 -1.66 0.00 0.00 0.51 0.00 0.00 43.02 41.73 2jqi s PHE 68 CO 0.02 0.48 0.00 0.41 0.70 0.00 0.00 175.22 176.83 2jqi n GLY 69 N 1.21 -2.26 0.00 4.36 0.00 -1.01 0.11 105.19 107.60 2jqi n GLY 69 Ca -0.13 -1.22 0.14 0.00 0.00 0.00 0.00 46.02 44.81 2jqi n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jqi n ARG 70 N -0.61 0.60 -3.00 1.61 1.74 -0.91 -2.53 116.66 113.56 2jqi n ARG 70 Ca 0.00 0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.70 2jqi n ARG 70 Cb 0.00 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 2jqi n ARG 70 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2jqi s ASN 71 N -2.34 7.26 0.00 0.55 2.47 -1.12 -4.78 114.94 116.98 2jqi s ASN 71 Ca 0.33 1.50 0.14 0.00 0.42 0.00 0.00 52.86 55.25 2jqi s ASN 71 Cb 0.19 -2.47 0.69 0.00 -1.45 0.00 0.00 41.25 38.22 2jqi s ASN 71 CO 0.38 0.10 1.38 -2.65 -3.72 0.00 0.00 177.10 172.60 2jqi n PRO 72 N 2.31 0.18 0.01 0.43 -0.02 -1.26 -2.27 135.00 134.38 2jqi n PRO 72 Ca -0.04 0.16 -0.20 0.00 -2.02 0.00 0.00 63.50 61.40 2jqi n PRO 72 Cb 0.50 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.34 2jqi n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jqi h ALA 73 N 2.64 0.03 -1.39 3.55 0.00 -1.93 -3.46 119.26 118.70 2jqi h ALA 73 Ca 0.00 -0.84 -0.65 0.00 0.00 0.00 0.00 54.91 53.42 2jqi h ALA 73 Cb 0.14 0.26 0.11 0.00 0.00 0.00 0.00 17.79 18.30 2jqi h ALA 73 CO 0.00 0.51 -0.22 0.00 0.00 0.00 0.00 179.25 179.53 2jqi h ASP 75 N 1.58 0.00 -3.55 0.00 5.19 0.57 -3.39 116.42 116.83 2jqi h ASP 75 Ca -0.34 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 55.57 2jqi h ASP 75 Cb 1.40 0.00 -0.33 0.00 0.18 0.00 0.00 39.33 40.58 2jqi h ASP 75 CO 0.59 0.00 -0.81 -0.47 -3.12 0.00 0.00 179.24 175.43 2jqi s TYR 76 N -3.94 1.35 -0.17 4.55 5.04 -0.04 -4.89 117.35 119.26 2jqi s TYR 76 Ca -0.03 -0.45 -0.06 0.00 -2.44 0.00 0.00 57.07 54.08 2jqi s TYR 76 Cb 0.09 -0.99 -0.04 0.00 0.35 0.00 0.00 41.96 41.38 2jqi s TYR 76 CO 0.29 -0.23 0.04 -1.58 -1.34 0.00 0.00 175.55 172.73 2jqi s HIS 77 N 0.52 3.21 0.35 4.97 2.46 -1.26 -2.41 115.29 123.12 2jqi s HIS 77 Ca -0.11 0.02 0.05 0.00 0.47 0.00 0.00 55.06 55.48 2jqi s HIS 77 Cb -0.14 -2.02 -0.02 0.00 -0.13 0.00 0.00 32.58 30.27 2jqi s HIS 77 CO 0.03 0.16 0.16 1.47 -2.47 0.00 0.00 174.74 174.09 2jqi n LEU 78 N 3.36 0.00 -4.75 8.88 -0.00 -1.05 -4.80 117.00 118.64 2jqi n LEU 78 Ca -0.17 -2.81 -0.41 0.00 -0.00 0.00 0.00 56.01 52.62 2jqi n LEU 78 Cb 0.52 1.08 -0.02 0.00 -0.00 0.00 0.00 43.42 45.00 2jqi n LEU 78 CO 0.34 -0.44 1.12 -0.83 -0.00 0.00 0.00 177.39 177.58 2jqi s GLY 79 N -3.20 2.37 -0.92 1.47 0.00 -1.26 -4.60 107.32 101.17 2jqi s GLY 79 Ca 0.23 1.37 -0.24 0.00 0.00 0.00 0.00 44.72 46.08 2jqi s GLY 79 CO 0.16 2.30 1.94 0.54 0.00 0.00 0.00 173.10 178.04 2jqi s ASN 80 N 0.30 5.16 -0.20 1.64 4.22 -1.26 -4.71 114.94 120.09 2jqi s ASN 80 Ca 0.59 -0.75 -0.07 0.00 -2.14 0.00 0.00 52.86 50.49 2jqi s ASN 80 Cb -0.43 -2.56 -0.04 0.00 1.28 0.00 0.00 41.25 39.50 2jqi s ASN 80 CO 0.46 -2.74 0.06 -0.63 -2.04 0.00 0.00 177.10 172.21 2jqi s ILE 81 N 10.05 4.66 0.60 0.54 1.01 -1.26 -4.97 121.20 131.83 2jqi s ILE 81 Ca 0.70 -0.07 0.29 0.00 0.00 0.00 0.00 60.65 61.57 2jqi s ILE 81 Cb -0.06 -3.12 0.36 0.00 0.01 0.00 0.00 42.46 39.65 2jqi s ILE 81 CO -0.00 0.43 2.02 0.77 0.00 0.00 0.00 174.94 178.16 2jqi h SER 82 N 7.04 0.00 -0.01 3.58 4.64 -1.99 -1.55 113.55 125.26 2jqi h SER 82 Ca -0.36 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.87 2jqi h SER 82 Cb 1.17 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2jqi h SER 82 CO 0.67 0.00 -0.33 -0.09 -0.87 0.00 0.00 176.83 176.21 2jqi h ARG 83 N 0.00 0.24 -7.12 4.77 9.65 -1.93 -3.45 114.38 116.53 2jqi h ARG 83 Ca 0.12 -0.25 -0.49 0.00 -1.10 0.00 0.00 59.98 58.27 2jqi h ARG 83 Cb 0.73 0.07 0.06 0.00 -1.39 0.00 0.00 29.97 29.44 2jqi h ARG 83 CO -0.00 0.96 0.40 -0.51 2.80 0.00 0.00 179.97 183.61 2jqi s LEU 84 N -8.49 3.69 0.44 3.80 1.43 -0.58 -4.71 118.68 114.25 2jqi s LEU 84 Ca -0.15 1.98 0.03 0.00 -1.03 0.00 0.00 54.13 54.96 2jqi s LEU 84 Cb 0.02 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.68 2jqi s LEU 84 CO 0.76 -1.09 0.63 -0.94 0.23 0.00 0.00 176.35 175.94 2jqi s SER 85 N -2.18 5.75 0.21 2.29 1.04 -1.26 -4.76 113.70 114.79 2jqi s SER 85 Ca 0.68 0.05 -0.19 0.00 0.48 0.00 0.00 55.95 56.96 2jqi s SER 85 Cb -0.19 -1.26 0.18 0.00 0.10 0.00 0.00 66.02 64.86 2jqi s SER 85 CO 0.28 -0.72 1.56 0.78 0.98 0.00 0.00 173.24 176.13 2jqi h ASN 86 N 0.48 -1.37 -3.46 7.02 -0.26 -1.93 -2.63 115.58 113.43 2jqi h ASN 86 Ca -0.45 0.28 -0.64 0.00 -0.56 0.00 0.00 56.30 54.94 2jqi h ASN 86 Cb 1.26 0.70 -0.41 0.00 -1.06 0.00 0.00 38.32 38.81 2jqi h ASN 86 CO 0.54 -0.29 -0.53 -0.54 -1.06 0.00 0.00 177.43 175.54 2jqi s LYS 87 N -5.95 2.44 0.13 0.81 1.02 -1.26 -2.15 119.74 114.78 2jqi s LYS 87 Ca -0.14 -3.15 -0.18 0.00 0.02 0.00 0.00 55.97 52.52 2jqi s LYS 87 Cb 0.18 -3.47 -0.03 0.00 -0.52 0.00 0.00 37.83 34.00 2jqi s LYS 87 CO 0.70 -1.24 1.76 1.25 -0.92 0.00 0.00 175.35 176.90 2jqi h HIS 88 N 5.76 0.40 -3.72 3.18 2.76 0.12 -3.35 115.15 120.30 2jqi h HIS 88 Ca 0.09 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.17 2jqi h HIS 88 Cb 0.80 -0.13 -0.14 0.00 1.55 0.00 0.00 27.41 29.48 2jqi h HIS 88 CO 0.65 0.30 -0.34 -0.59 -1.30 0.00 0.00 177.93 176.65 2jqi s PHE 89 N -6.00 0.10 0.00 5.26 -0.71 -0.85 0.17 117.98 115.95 2jqi s PHE 89 Ca -0.13 -0.49 0.02 0.00 -1.04 0.00 0.00 56.93 55.29 2jqi s PHE 89 Cb 0.09 -0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.88 2jqi s PHE 89 CO 0.71 -0.55 -0.06 -1.14 -1.34 0.00 0.00 175.22 172.85 2jqi s GLN 90 N -3.68 0.44 -0.11 1.99 0.74 0.48 0.22 119.66 119.74 2jqi s GLN 90 Ca 0.03 -0.27 0.01 0.00 0.05 0.00 0.00 55.36 55.18 2jqi s GLN 90 Cb 0.04 -0.40 -0.02 0.00 1.10 0.00 0.00 33.01 33.73 2jqi s GLN 90 CO -0.10 0.10 -0.14 0.42 -0.55 0.00 0.00 175.29 175.02 2jqi s ILE 91 N -0.31 3.01 0.04 -2.34 1.01 0.45 0.19 121.20 123.25 2jqi s ILE 91 Ca 0.00 -0.69 0.08 0.00 0.00 0.00 0.00 60.65 60.04 2jqi s ILE 91 Cb -0.03 -2.24 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 2jqi s ILE 91 CO -0.00 0.54 -0.24 -1.48 0.00 0.00 0.00 174.94 173.76 2jqi s LEU 92 N 0.10 2.16 -0.12 2.97 2.34 0.73 0.19 118.68 127.05 2jqi s LEU 92 Ca -0.06 -0.56 0.01 0.00 0.06 0.00 0.00 54.13 53.58 2jqi s LEU 92 Cb -0.15 -1.15 0.02 0.00 -0.56 0.00 0.00 46.19 44.35 2jqi s LEU 92 CO 0.05 0.22 -0.14 -0.22 -1.06 0.00 0.00 176.35 175.19 2jqi s LEU 93 N -1.20 1.68 0.00 1.48 2.96 -0.42 -0.06 118.68 123.13 2jqi s LEU 93 Ca 0.10 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 2jqi s LEU 93 Cb -0.09 -1.12 0.00 0.00 0.50 0.00 0.00 46.19 45.48 2jqi s LEU 93 CO 0.02 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.64 2jqi n GLY 94 N 4.46 1.76 5.12 7.98 0.00 -1.21 -0.13 105.19 123.17 2jqi n GLY 94 Ca -0.18 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2jqi n GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jqi n GLU 95 N 0.00 0.00 -2.28 1.61 1.02 -1.10 -2.14 120.64 117.74 2jqi n GLU 95 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 2jqi n GLU 95 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.48 2jqi n GLU 95 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2jqi n ASP 96 N 1.55 -0.99 0.00 1.62 -0.08 -1.26 -4.88 116.55 112.52 2jqi n ASP 96 Ca 0.00 -1.75 0.00 0.00 -1.51 0.00 0.00 54.79 51.53 2jqi n ASP 96 Cb 0.00 0.56 0.00 0.00 2.34 0.00 0.00 41.12 44.02 2jqi n ASP 96 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jqi n GLY 97 N -0.75 1.71 3.71 0.27 0.00 -0.91 -5.01 105.19 104.21 2jqi n GLY 97 Ca -0.12 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 2jqi n GLY 97 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jqi s ASN 98 N -0.03 3.52 0.10 1.61 -0.87 -1.23 -4.88 114.94 113.15 2jqi s ASN 98 Ca 0.00 1.80 0.04 0.00 -1.57 0.00 0.00 52.86 53.13 2jqi s ASN 98 Cb 0.00 -2.42 -0.04 0.00 -0.02 0.00 0.00 41.25 38.77 2jqi s ASN 98 CO 0.00 -2.66 0.05 -0.22 -2.57 0.00 0.00 177.10 171.70 2jqi s LEU 99 N -6.29 3.65 -0.00 0.60 0.20 -1.26 -3.35 118.68 112.23 2jqi s LEU 99 Ca 0.64 -0.10 0.03 0.00 0.69 0.00 0.00 54.13 55.38 2jqi s LEU 99 Cb -0.19 -2.35 -0.01 0.00 -0.43 0.00 0.00 46.19 43.21 2jqi s LEU 99 CO 0.57 0.16 -0.09 -0.76 -0.29 0.00 0.00 176.35 175.94 2jqi s LEU 100 N -2.45 2.03 -0.17 -0.68 1.43 0.92 -2.31 118.68 117.44 2jqi s LEU 100 Ca 0.28 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.18 2jqi s LEU 100 Cb -0.12 -0.46 -0.01 0.00 0.03 0.00 0.00 46.19 45.63 2jqi s LEU 100 CO 0.21 0.10 -0.08 -1.48 0.23 0.00 0.00 176.35 175.32 2jqi s LEU 101 N -0.26 2.86 -0.24 1.79 0.05 -0.41 -0.19 118.68 122.28 2jqi s LEU 101 Ca 0.03 -0.32 -0.01 0.00 0.05 0.00 0.00 54.13 53.88 2jqi s LEU 101 Cb -0.04 -1.68 0.03 0.00 -2.05 0.00 0.00 46.19 42.44 2jqi s LEU 101 CO -0.00 0.09 -0.08 0.21 -0.55 0.00 0.00 176.35 176.03 2jqi s ASN 102 N 0.79 4.22 0.27 1.48 2.47 0.50 -2.46 114.94 122.20 2jqi s ASN 102 Ca -0.03 -0.87 -0.29 0.00 0.42 0.00 0.00 52.86 52.09 2jqi s ASN 102 Cb -0.15 -1.64 -0.09 0.00 -1.45 0.00 0.00 41.25 37.92 2jqi s ASN 102 CO 0.01 -0.12 0.98 1.51 -3.72 0.00 0.00 177.10 175.76 2jqi s ASP 103 N 1.31 7.50 -0.24 -4.21 1.47 -1.25 0.18 116.67 121.43 2jqi s ASP 103 Ca 0.00 2.00 0.18 0.00 1.18 0.00 0.00 52.55 55.91 2jqi s ASP 103 Cb -0.16 -2.61 0.42 0.00 -0.34 0.00 0.00 42.92 40.23 2jqi s ASP 103 CO -0.05 0.04 1.27 2.30 0.68 0.00 0.00 175.17 179.42 2jqi n ILE 104 N 1.25 0.56 -3.72 2.11 -5.35 -0.63 0.22 119.36 113.80 2jqi n ILE 104 Ca -0.01 -1.76 -0.23 0.00 -0.27 0.00 0.00 62.75 60.48 2jqi n ILE 104 Cb 0.47 1.09 -0.02 0.00 -1.74 0.00 0.00 39.64 39.45 2jqi n ILE 104 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2jqi s SER 105 N -2.39 6.32 0.25 7.28 0.01 0.44 -4.20 113.70 121.42 2jqi s SER 105 Ca 0.19 0.26 0.01 0.00 1.31 0.00 0.00 55.95 57.71 2jqi s SER 105 Cb 0.35 -1.95 0.29 0.00 0.21 0.00 0.00 66.02 64.93 2jqi s SER 105 CO -0.08 -0.14 1.63 0.74 0.41 0.00 0.00 173.24 175.80 2jqi h THR 106 N 1.09 1.30 0.00 1.44 2.02 -1.88 -3.22 112.91 113.65 2jqi h THR 106 Ca -0.50 -1.51 0.00 0.00 0.77 0.00 0.00 66.41 65.16 2jqi h THR 106 Cb 1.22 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 2jqi h THR 106 CO 0.62 0.47 -1.84 -0.46 0.37 0.00 0.00 175.52 174.68 2jqi n ASN 107 N -4.04 0.13 0.00 4.18 0.23 -1.26 -5.09 115.26 109.41 2jqi n ASN 107 Ca -0.01 0.05 0.00 0.00 -0.53 0.00 0.00 54.58 54.08 2jqi n ASN 107 Cb 0.49 1.76 0.00 0.00 -2.08 0.00 0.00 39.78 39.95 2jqi n ASN 107 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jqi n GLY 108 N 1.25 3.04 3.36 4.83 0.00 -1.22 -4.90 105.19 111.55 2jqi n GLY 108 Ca -0.03 -2.03 -0.32 0.00 0.00 0.00 0.00 46.02 43.64 2jqi n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jqi s THR 109 N -2.72 2.48 0.09 2.61 2.01 -1.26 -4.38 115.64 114.46 2jqi s THR 109 Ca 0.00 -0.93 0.07 0.00 0.31 0.00 0.00 61.69 61.14 2jqi s THR 109 Cb 0.00 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 2jqi s THR 109 CO 0.00 0.58 -0.14 0.26 -0.69 0.00 0.00 174.62 174.62 2jqi s TRP 110 N -0.44 2.64 -0.21 4.92 0.51 0.35 -2.40 118.94 124.30 2jqi s TRP 110 Ca 0.05 -0.21 0.01 0.00 -2.12 0.00 0.00 56.10 53.83 2jqi s TRP 110 Cb -0.12 -1.42 0.05 0.00 -0.81 0.00 0.00 33.47 31.17 2jqi s TRP 110 CO 0.01 0.37 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.55 2jqi s LEU 111 N -1.94 2.43 -1.69 2.99 2.96 0.11 0.13 118.68 123.67 2jqi s LEU 111 Ca 0.18 -0.98 -0.15 0.00 -0.22 0.00 0.00 54.13 52.96 2jqi s LEU 111 Cb -0.11 -1.25 0.14 0.00 0.50 0.00 0.00 46.19 45.47 2jqi s LEU 111 CO 0.10 -0.16 0.58 0.59 -1.32 0.00 0.00 176.35 176.13 2jqi n ASN 112 N 4.66 -1.91 0.00 3.68 3.02 -0.91 0.89 115.26 124.69 2jqi n ASN 112 Ca -0.14 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 2jqi n ASN 112 Cb 0.46 -2.34 0.00 0.00 -0.61 0.00 0.00 39.78 37.29 2jqi n ASN 112 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jqi n GLY 113 N -1.56 1.83 3.46 7.41 0.00 -1.26 -5.01 105.19 110.05 2jqi n GLY 113 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 2jqi n GLY 113 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jqi s GLN 114 N -0.41 3.58 0.09 1.61 -0.21 0.26 -5.07 119.66 119.51 2jqi s GLN 114 Ca 0.00 -0.54 -0.31 0.00 0.02 0.00 0.00 55.36 54.53 2jqi s GLN 114 Cb 0.00 -3.44 -0.06 0.00 1.00 0.00 0.00 33.01 30.51 2jqi s GLN 114 CO 0.00 -0.26 1.22 0.21 -2.12 0.00 0.00 175.29 174.34 2jqi s LYS 115 N 1.63 4.43 0.32 2.91 2.20 -1.26 0.04 119.74 130.02 2jqi s LYS 115 Ca 0.06 1.82 0.07 0.00 -0.36 0.00 0.00 55.97 57.56 2jqi s LYS 115 Cb -0.16 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 32.83 2jqi s LYS 115 CO 0.05 -0.25 0.40 0.14 -0.36 0.00 0.00 175.35 175.34 2jqi s VAL 116 N 0.86 4.04 0.04 4.02 -7.23 -1.01 -4.93 120.40 116.19 2jqi s VAL 116 Ca 0.58 -1.11 -0.31 0.00 -1.81 0.00 0.00 61.98 59.34 2jqi s VAL 116 Cb -0.31 -3.39 -0.06 0.00 0.56 0.00 0.00 36.38 33.18 2jqi s VAL 116 CO 0.31 -0.18 1.41 -0.70 -0.31 0.00 0.00 175.10 175.62 2jqi s GLU 117 N -4.10 4.29 0.98 4.82 2.12 -1.26 -4.61 118.70 120.94 2jqi s GLU 117 Ca 0.43 2.01 -0.14 0.00 0.36 0.00 0.00 54.97 57.63 2jqi s GLU 117 Cb -0.08 -3.48 0.05 0.00 0.26 0.00 0.00 34.13 30.88 2jqi s GLU 117 CO 0.29 -0.54 0.37 1.17 -0.54 0.00 0.00 175.26 176.02 2jqi n LYS 118 N 4.94 -0.53 -2.85 4.30 4.81 -1.26 -2.20 118.16 125.38 2jqi n LYS 118 Ca 0.13 -0.12 -0.15 0.00 -0.87 0.00 0.00 58.31 57.30 2jqi n LYS 118 Cb 0.43 -1.85 -0.03 0.00 0.02 0.00 0.00 35.03 33.60 2jqi n LYS 118 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2jqi n ASN 119 N -1.51 -1.05 -4.56 3.14 0.23 0.60 -4.85 115.26 107.26 2jqi n ASN 119 Ca 0.06 -0.24 -0.32 0.00 -0.53 0.00 0.00 54.58 53.55 2jqi n ASN 119 Cb 0.55 -0.96 -0.11 0.00 -2.08 0.00 0.00 39.78 37.18 2jqi n ASN 119 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2jqi s SER 120 N -2.06 4.43 -0.15 0.53 0.15 -0.94 -4.90 113.70 110.75 2jqi s SER 120 Ca 0.30 -0.23 -0.20 0.00 0.70 0.00 0.00 55.95 56.52 2jqi s SER 120 Cb -0.17 -0.96 -0.03 0.00 -1.71 0.00 0.00 66.02 63.15 2jqi s SER 120 CO 0.36 0.27 0.58 0.20 1.20 0.00 0.00 173.24 175.85 2jqi s ASN 121 N -1.50 6.72 0.05 5.45 -0.87 -1.26 -3.89 114.94 119.64 2jqi s ASN 121 Ca 0.17 0.87 0.05 0.00 -1.57 0.00 0.00 52.86 52.38 2jqi s ASN 121 Cb -0.11 -2.33 -0.03 0.00 -0.02 0.00 0.00 41.25 38.76 2jqi s ASN 121 CO 0.08 -0.15 -0.15 -1.10 -2.57 0.00 0.00 177.10 173.20 2jqi s GLN 122 N 1.29 0.96 -0.11 -0.60 -1.52 -1.03 -4.92 119.66 113.72 2jqi s GLN 122 Ca 0.29 -0.87 -0.29 0.00 -1.95 0.00 0.00 55.36 52.54 2jqi s GLN 122 Cb -0.16 -1.00 -0.03 0.00 -0.22 0.00 0.00 33.01 31.60 2jqi s GLN 122 CO 0.12 0.24 1.36 -1.17 -0.25 0.00 0.00 175.29 175.59 2jqi s LEU 123 N -1.39 4.23 1.07 2.90 2.96 -1.26 -1.28 118.68 125.92 2jqi s LEU 123 Ca 0.01 1.87 -0.13 0.00 -0.22 0.00 0.00 54.13 55.66 2jqi s LEU 123 Cb -0.09 -3.54 0.19 0.00 0.50 0.00 0.00 46.19 43.26 2jqi s LEU 123 CO 0.02 -0.78 0.82 0.18 -1.32 0.00 0.00 176.35 175.27 2jqi n LEU 124 N 6.49 -0.10 -4.31 -0.68 7.99 -0.98 -4.92 117.00 120.49 2jqi n LEU 124 Ca 0.14 0.06 -0.22 0.00 -0.01 0.00 0.00 56.01 55.98 2jqi n LEU 124 Cb 0.44 -1.27 -0.12 0.00 -0.11 0.00 0.00 43.42 42.37 2jqi n LEU 124 CO 0.58 -2.99 -0.49 -0.55 -1.51 0.00 0.00 177.39 172.42 2jqi s SER 125 N -2.33 2.58 -0.11 -1.43 0.15 -1.26 -4.98 113.70 106.31 2jqi s SER 125 Ca 0.65 -0.79 -0.29 0.00 0.70 0.00 0.00 55.95 56.21 2jqi s SER 125 Cb -0.22 -0.14 -0.03 0.00 -1.71 0.00 0.00 66.02 63.91 2jqi s SER 125 CO 0.64 -0.01 1.43 -1.10 1.20 0.00 0.00 173.24 175.40 2jqi s GLN 126 N -2.45 4.22 -1.85 5.44 -1.52 -1.26 -2.65 119.66 119.59 2jqi s GLN 126 Ca 0.12 1.89 0.00 0.00 -1.95 0.00 0.00 55.36 55.42 2jqi s GLN 126 Cb -0.07 -3.84 0.00 0.00 -0.22 0.00 0.00 33.01 28.88 2jqi s GLN 126 CO 0.05 -0.75 0.00 0.41 -0.25 0.00 0.00 175.29 174.75 2jqi n GLY 127 N 3.82 0.37 3.28 3.09 0.00 -0.92 -4.95 105.19 109.88 2jqi n GLY 127 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2jqi n GLY 127 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jqi s ASP 128 N -2.28 -1.21 -0.08 1.61 2.15 -0.96 -4.53 116.67 111.38 2jqi s ASP 128 Ca 0.00 0.88 -0.05 0.00 0.43 0.00 0.00 52.55 53.81 2jqi s ASP 128 Cb 0.00 -1.25 0.03 0.00 -0.30 0.00 0.00 42.92 41.39 2jqi s ASP 128 CO 0.00 -5.46 0.19 -1.61 -0.17 0.00 0.00 175.17 168.12 2jqi s GLU 129 N -5.04 0.18 -0.16 4.34 2.02 -1.26 0.64 118.70 119.43 2jqi s GLU 129 Ca 0.68 0.34 -0.02 0.00 0.02 0.00 0.00 54.97 55.99 2jqi s GLU 129 Cb -0.14 -0.01 -0.01 0.00 0.10 0.00 0.00 34.13 34.07 2jqi s GLU 129 CO 0.58 -0.09 -0.09 0.42 0.02 0.00 0.00 175.26 176.10 2jqi s ILE 130 N 0.59 3.28 -0.07 -1.63 1.01 0.36 -2.15 121.20 122.59 2jqi s ILE 130 Ca -0.04 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 2jqi s ILE 130 Cb -0.06 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 2jqi s ILE 130 CO -0.03 0.49 0.06 -0.89 0.00 0.00 0.00 174.94 174.57 2jqi s THR 131 N 0.69 4.73 0.05 2.92 2.01 0.36 -0.14 115.64 126.25 2jqi s THR 131 Ca -0.04 -0.19 -0.01 0.00 0.31 0.00 0.00 61.69 61.76 2jqi s THR 131 Cb -0.15 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 2jqi s THR 131 CO 0.02 0.53 -0.02 0.68 -0.69 0.00 0.00 174.62 175.15 2jqi s VAL 132 N -1.01 0.20 0.00 3.82 -7.23 0.11 0.13 120.40 116.41 2jqi s VAL 132 Ca 0.17 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 2jqi s VAL 132 Cb -0.12 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.50 2jqi s VAL 132 CO 0.06 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.55 2jqi n GLY 133 N 0.32 0.81 3.78 2.32 0.00 -1.26 0.11 105.19 111.26 2jqi n GLY 133 Ca -0.16 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 2jqi n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jqi s VAL 134 N -2.97 4.34 0.00 1.61 1.01 -1.26 -2.52 120.40 120.61 2jqi s VAL 134 Ca 0.00 1.72 0.00 0.00 0.00 0.00 0.00 61.98 63.70 2jqi s VAL 134 Cb 0.00 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2jqi s VAL 134 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2jqi n GLY 135 N 1.51 4.13 2.98 4.51 0.00 -1.26 -5.00 105.19 112.05 2jqi n GLY 135 Ca -0.05 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 2jqi n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jqi s VAL 136 N 0.00 1.35 0.58 1.61 1.01 -1.26 -5.00 120.40 118.69 2jqi s VAL 136 Ca 0.00 -0.50 0.30 0.00 0.00 0.00 0.00 61.98 61.78 2jqi s VAL 136 Cb 0.00 -1.30 0.41 0.00 0.00 0.00 0.00 36.38 35.50 2jqi s VAL 136 CO 0.00 0.42 1.82 -0.33 0.00 0.00 0.00 175.10 177.01 2jqi h GLU 137 N 8.02 0.00 -0.33 2.72 5.08 -1.98 0.84 114.58 128.92 2jqi h GLU 137 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2jqi h GLU 137 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2jqi h GLU 137 CO 0.48 0.00 0.00 0.45 -1.00 0.00 0.00 179.01 178.94 2jqi n SER 138 N -3.77 2.45 -0.53 1.42 2.88 -1.26 -4.15 113.62 110.66 2jqi n SER 138 Ca 0.13 -1.88 0.06 0.00 -1.33 0.00 0.00 58.87 55.85 2jqi n SER 138 Cb 0.87 -0.22 0.11 0.00 -0.75 0.00 0.00 64.21 64.22 2jqi n SER 138 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2jqi n ASP 139 N 0.83 1.47 -4.67 -3.46 9.92 0.29 -5.04 116.55 115.89 2jqi n ASP 139 Ca 0.17 -2.92 -0.35 0.00 -0.53 0.00 0.00 54.79 51.17 2jqi n ASP 139 Cb 0.43 -0.39 -0.10 0.00 -0.64 0.00 0.00 41.12 40.42 2jqi n ASP 139 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2jqi s ILE 140 N -1.92 4.29 -0.05 0.53 1.01 -1.05 -4.12 121.20 119.88 2jqi s ILE 140 Ca 0.27 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.72 2jqi s ILE 140 Cb 0.26 -2.81 -0.01 0.00 0.01 0.00 0.00 42.46 39.92 2jqi s ILE 140 CO -0.04 0.60 -0.21 -0.22 0.00 0.00 0.00 174.94 175.08 2jqi s LEU 141 N -0.82 1.98 -0.15 2.97 0.20 0.31 -4.94 118.68 118.22 2jqi s LEU 141 Ca 0.13 -0.43 -0.02 0.00 0.69 0.00 0.00 54.13 54.50 2jqi s LEU 141 Cb -0.11 -1.15 -0.02 0.00 -0.43 0.00 0.00 46.19 44.47 2jqi s LEU 141 CO 0.02 0.19 -0.09 -0.44 -0.29 0.00 0.00 176.35 175.74 2jqi s SER 142 N -0.00 4.33 0.10 3.68 0.01 -1.26 0.05 113.70 120.62 2jqi s SER 142 Ca -0.05 -0.26 0.09 0.00 1.31 0.00 0.00 55.95 57.04 2jqi s SER 142 Cb -0.13 -1.69 -0.04 0.00 0.21 0.00 0.00 66.02 64.38 2jqi s SER 142 CO 0.03 0.14 -0.23 -0.76 0.41 0.00 0.00 173.24 172.83 2jqi s LEU 143 N 0.49 2.28 -0.07 2.44 1.43 0.79 -4.13 118.68 121.92 2jqi s LEU 143 Ca -0.06 -0.68 0.03 0.00 -1.03 0.00 0.00 54.13 52.38 2jqi s LEU 143 Cb -0.15 -1.03 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 2jqi s LEU 143 CO 0.04 0.12 -0.13 -0.69 0.23 0.00 0.00 176.35 175.91 2jqi s VAL 144 N -1.07 3.11 -0.24 -1.59 1.01 0.84 0.13 120.40 122.60 2jqi s VAL 144 Ca 0.09 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 2jqi s VAL 144 Cb -0.10 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 2jqi s VAL 144 CO 0.04 0.58 0.06 -0.63 0.00 0.00 0.00 175.10 175.15 2jqi s ILE 145 N -0.53 4.28 -0.15 2.22 -1.09 0.21 0.12 121.20 126.26 2jqi s ILE 145 Ca 0.07 -0.19 -0.04 0.00 -2.23 0.00 0.00 60.65 58.27 2jqi s ILE 145 Cb -0.12 -2.99 -0.03 0.00 -1.58 0.00 0.00 42.46 37.74 2jqi s ILE 145 CO 0.02 0.35 -0.02 0.12 -1.23 0.00 0.00 174.94 174.18 2jqi s PHE 146 N 1.50 3.06 -0.17 3.97 5.36 0.28 -2.15 117.98 129.83 2jqi s PHE 146 Ca 0.06 -0.20 -0.07 0.00 -0.96 0.00 0.00 56.93 55.75 2jqi s PHE 146 Cb -0.15 -1.95 -0.04 0.00 -0.34 0.00 0.00 43.02 40.54 2jqi s PHE 146 CO 0.03 0.04 0.08 0.42 -1.46 0.00 0.00 175.22 174.33 2jqi s ILE 147 N 0.22 4.93 -0.32 3.12 1.09 -1.26 0.26 121.20 129.25 2jqi s ILE 147 Ca -0.01 0.01 -0.26 0.00 -1.10 0.00 0.00 60.65 59.29 2jqi s ILE 147 Cb -0.14 -3.20 0.01 0.00 -1.06 0.00 0.00 42.46 38.07 2jqi s ILE 147 CO 0.03 0.49 0.90 0.21 -0.10 0.00 0.00 174.94 176.47 2jqi s ASN 148 N 0.05 6.76 0.53 3.58 2.47 -1.19 -4.91 114.94 122.23 2jqi s ASN 148 Ca 0.06 0.79 0.28 0.00 0.42 0.00 0.00 52.86 54.42 2jqi s ASN 148 Cb -0.12 -2.46 1.51 0.00 -1.45 0.00 0.00 41.25 38.73 2jqi s ASN 148 CO 0.00 -0.73 2.09 0.44 -3.72 0.00 0.00 177.10 175.19 2jqi h ASP 149 N 8.14 0.00 -0.44 -4.21 5.19 -1.93 -2.74 116.42 120.43 2jqi h ASP 149 Ca -0.23 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.20 2jqi h ASP 149 Cb 1.08 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.56 2jqi h ASP 149 CO 0.95 0.10 0.27 0.50 -3.12 0.00 0.00 179.24 177.94 2jqi h LYS 150 N 0.00 0.53 -0.81 3.56 3.11 -1.91 -1.61 116.57 119.44 2jqi h LYS 150 Ca -0.00 -0.03 0.05 0.00 -2.81 0.00 0.00 60.65 57.86 2jqi h LYS 150 Cb 0.30 -0.12 -0.06 0.00 -1.00 0.00 0.00 32.23 31.35 2jqi h LYS 150 CO 0.01 0.35 0.51 0.35 -2.81 0.00 0.00 179.45 177.86 2jqi h PHE 151 N 0.55 0.94 -0.38 1.91 3.57 -1.69 -1.67 116.94 120.17 2jqi h PHE 151 Ca 0.17 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 2jqi h PHE 151 Cb -0.01 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 2jqi h PHE 151 CO -0.06 0.50 -0.04 0.87 -2.23 0.00 0.00 178.31 177.35 2jqi h LYS 152 N 0.95 0.62 -0.39 1.11 1.57 -1.49 -2.12 116.57 116.82 2jqi h LYS 152 Ca 0.34 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2jqi h LYS 152 Cb 0.11 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2jqi h LYS 152 CO -0.15 0.67 0.24 0.37 -0.57 0.00 0.00 179.45 180.01 2jqi h GLN 153 N 0.58 0.48 -0.30 3.15 4.15 -0.35 0.36 115.11 123.18 2jqi h GLN 153 Ca 0.12 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.44 2jqi h GLN 153 Cb 0.42 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 2jqi h GLN 153 CO 0.02 0.32 -0.06 0.00 -1.93 0.00 0.00 178.83 177.18 2jqi h LEU 155 N 0.34 0.27 -1.15 0.00 7.12 -1.16 -1.80 115.31 118.92 2jqi h LEU 155 Ca 0.08 -0.18 0.04 0.00 0.13 0.00 0.00 57.88 57.95 2jqi h LEU 155 Cb 0.53 -0.07 -0.05 0.00 -0.53 0.00 0.00 40.66 40.54 2jqi h LEU 155 CO 0.03 0.37 0.58 -0.08 -0.13 0.00 0.00 178.44 179.21 2jqi h GLU 156 N 0.14 1.06 0.00 1.25 4.81 -0.29 -0.83 114.58 120.72 2jqi h GLU 156 Ca 0.06 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 2jqi h GLU 156 Cb 0.19 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2jqi h GLU 156 CO -0.00 0.70 -0.35 0.37 -0.73 0.00 0.00 179.01 179.00 2jqi h GLN 157 N 1.09 0.00 -2.32 1.92 5.75 -1.12 -3.28 115.11 117.15 2jqi h GLN 157 Ca 0.36 0.00 -0.64 0.00 -0.15 0.00 0.00 58.65 58.22 2jqi h GLN 157 Cb 0.06 0.00 -0.39 0.00 1.07 0.00 0.00 27.48 28.22 2jqi h GLN 157 CO -0.11 0.35 -0.28 0.09 -2.65 0.00 0.00 178.83 176.22 2jqi n ASN 158 N -3.70 4.72 -4.71 -0.69 5.03 -0.33 -5.06 115.26 110.52 2jqi n ASN 158 Ca -0.01 -3.56 -0.42 0.00 0.87 0.00 0.00 54.58 51.46 2jqi n ASN 158 Cb 0.44 -0.75 -0.03 0.00 -1.02 0.00 0.00 39.78 38.42 2jqi n ASN 158 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2jqi s LYS 159 N -3.08 4.46 -0.13 3.52 2.36 -1.14 -4.85 119.74 120.87 2jqi s LYS 159 Ca 0.42 1.73 -0.29 0.00 -2.55 0.00 0.00 55.97 55.28 2jqi s LYS 159 Cb 0.19 -3.35 -0.01 0.00 -1.05 0.00 0.00 37.83 33.61 2jqi s LYS 159 CO -0.06 -0.21 1.07 0.08 1.55 0.00 0.00 175.35 177.78 2jqi s VAL 160 N 0.95 4.63 0.01 4.02 1.01 -1.26 -5.03 120.40 124.73 2jqi s VAL 160 Ca 0.57 1.92 0.05 0.00 0.00 0.00 0.00 61.98 64.53 2jqi s VAL 160 Cb -0.29 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.84 2jqi s VAL 160 CO 0.30 -0.04 -0.16 -0.62 0.00 0.00 0.00 175.10 174.57 2jqi s ASP 161 N 1.24 1.90 -0.03 3.32 -1.08 -1.26 -5.14 116.67 115.62 2jqi s ASP 161 Ca 0.49 -0.36 0.05 0.00 -0.52 0.00 0.00 52.55 52.21 2jqi s ASP 161 Cb -0.19 -0.18 -0.01 0.00 -1.46 0.00 0.00 42.92 41.08 2jqi s ASP 161 CO 0.16 0.15 -0.19 0.00 0.52 0.00 0.00 175.17 175.81 2jqi s ARG 162 N -0.67 1.77 -0.18 4.34 1.70 -1.26 -5.13 118.95 119.52 2jqi s ARG 162 Ca 0.05 -0.69 -0.09 0.00 -0.47 0.00 0.00 55.73 54.54 2jqi s ARG 162 Cb -0.07 -1.61 -0.05 0.00 -0.57 0.00 0.00 34.95 32.65 2jqi s ARG 162 CO 0.00 0.35 0.12 0.96 -1.08 0.00 0.00 175.30 175.65 2jqi s ILE 163 N -0.23 5.34 -0.94 4.99 -5.25 -1.26 -5.36 121.20 118.49 2jqi s ILE 163 Ca 0.02 0.16 0.08 0.00 -0.99 0.00 0.00 60.65 59.91 2jqi s ILE 163 Cb -0.10 -3.40 0.06 0.00 2.95 0.00 0.00 42.46 41.97 2jqi s ILE 163 CO 0.01 0.49 0.74 -1.14 -1.79 0.00 0.00 174.94 173.25