#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 1.49 -0.12 0.00 -2.24 -1.26 -3.52 114.28 108.63 2jqi n THR 15 Ca 0.00 0.05 -0.11 0.00 -2.27 0.00 0.00 64.05 61.73 2jqi n THR 15 Cb 0.00 -2.17 -0.02 0.00 -2.10 0.00 0.00 70.33 66.04 2jqi n THR 15 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2jqi h GLN 16 N -1.00 0.62 -0.85 -0.78 1.08 -2.07 -2.92 115.11 109.18 2jqi h GLN 16 Ca -0.23 -0.20 0.03 0.00 -1.45 0.00 0.00 58.65 56.80 2jqi h GLN 16 Cb 1.02 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 28.35 2jqi h GLN 16 CO -0.14 0.73 0.56 0.00 -0.95 0.00 0.00 178.83 179.04 2jqi h ARG 17 N 0.43 1.04 -0.93 1.46 3.08 -2.01 -1.83 114.38 115.62 2jqi h ARG 17 Ca 0.10 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.09 2jqi h ARG 17 Cb 0.46 -0.24 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 2jqi h ARG 17 CO 0.02 0.69 0.61 0.35 -1.07 0.00 0.00 179.97 180.57 2jqi h PHE 18 N 1.07 1.18 -0.18 3.04 3.04 -1.56 -1.40 116.94 122.14 2jqi h PHE 18 Ca 0.33 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.29 2jqi h PHE 18 Cb 0.01 -0.40 -0.01 0.00 2.56 0.00 0.00 35.95 38.11 2jqi h PHE 18 CO -0.00 0.75 0.04 1.25 -2.02 0.00 0.00 178.31 178.33 2jqi h LEU 19 N 1.26 0.22 -0.44 0.59 5.85 -1.17 -1.94 115.31 119.68 2jqi h LEU 19 Ca 0.34 -0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.86 2jqi h LEU 19 Cb -0.13 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 2jqi h LEU 19 CO -0.07 0.23 -0.68 0.40 -0.34 0.00 0.00 178.44 177.98 2jqi h ILE 20 N 0.25 1.36 -0.80 4.05 2.04 -1.05 -3.11 117.51 120.23 2jqi h ILE 20 Ca 0.06 -2.03 0.05 0.00 1.00 0.00 0.00 64.86 63.94 2jqi h ILE 20 Cb 0.11 2.01 -0.06 0.00 -0.74 0.00 0.00 36.82 38.14 2jqi h ILE 20 CO -0.00 0.62 0.50 -0.08 0.00 0.00 0.00 178.15 179.18 2jqi h GLU 21 N 0.32 0.89 0.00 2.37 4.81 -0.76 0.47 114.58 122.68 2jqi h GLU 21 Ca -0.02 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 2jqi h GLU 21 Cb 1.24 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 2jqi h GLU 21 CO 0.12 0.59 -0.14 0.87 -0.73 0.00 0.00 179.01 179.72 2jqi h LYS 22 N 0.92 0.00 -0.38 1.92 1.57 -1.49 -2.70 116.57 116.42 2jqi h LYS 22 Ca 0.35 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.17 2jqi h LYS 22 Cb 0.13 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 2jqi h LYS 22 CO -0.16 0.14 0.13 0.35 -0.57 0.00 0.00 179.45 179.34 2jqi h PHE 23 N 0.00 0.23 0.10 -1.35 3.04 -0.83 -2.79 116.94 115.34 2jqi h PHE 23 Ca -0.00 0.02 -0.28 0.00 3.98 0.00 0.00 57.97 61.69 2jqi h PHE 23 Cb 0.46 -0.05 0.02 0.00 2.56 0.00 0.00 35.95 38.94 2jqi h PHE 23 CO 0.00 0.09 -1.19 0.77 -2.02 0.00 0.00 178.31 175.96 2jqi h SER 24 N 0.28 0.68 -0.33 0.41 0.02 -1.52 -3.40 113.55 109.70 2jqi h SER 24 Ca 0.17 -0.64 -0.23 0.00 -0.84 0.00 0.00 61.79 60.25 2jqi h SER 24 Cb 0.15 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2jqi h SER 24 CO -0.18 1.46 0.74 1.67 -1.14 0.00 0.00 176.83 179.39 2jqi n GLN 25 N -3.71 1.10 -3.52 3.45 7.27 -1.03 -4.91 117.38 116.03 2jqi n GLN 25 Ca -0.11 -2.21 -0.37 0.00 0.07 0.00 0.00 57.00 54.38 2jqi n GLN 25 Cb 0.97 -3.79 -0.06 0.00 2.41 0.00 0.00 30.24 29.76 2jqi n GLN 25 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2jqi s GLU 26 N 7.14 4.08 -0.67 3.69 2.02 -1.26 -4.88 118.70 128.82 2jqi s GLU 26 Ca 0.73 0.24 -0.27 0.00 0.02 0.00 0.00 54.97 55.68 2jqi s GLU 26 Cb -0.02 -3.34 0.02 0.00 0.10 0.00 0.00 34.13 30.90 2jqi s GLU 26 CO 0.15 0.42 1.35 -1.14 0.02 0.00 0.00 175.26 176.06 2jqi s GLN 27 N -0.15 3.21 0.14 1.61 0.74 -1.26 -4.99 119.66 118.97 2jqi s GLN 27 Ca 0.20 0.06 -0.26 0.00 0.05 0.00 0.00 55.36 55.41 2jqi s GLN 27 Cb -0.14 -4.16 -0.07 0.00 1.10 0.00 0.00 33.01 29.73 2jqi s GLN 27 CO 0.08 -2.08 0.81 0.42 -0.55 0.00 0.00 175.29 173.96 2jqi s ILE 28 N 5.99 4.42 0.00 -2.34 -1.09 -1.26 -4.94 121.20 121.97 2jqi s ILE 28 Ca 0.43 1.77 0.12 0.00 -2.23 0.00 0.00 60.65 60.74 2jqi s ILE 28 Cb -0.09 -4.17 0.20 0.00 -1.58 0.00 0.00 42.46 36.82 2jqi s ILE 28 CO 0.19 0.47 1.06 0.61 -1.23 0.00 0.00 174.94 176.05 2jqi n GLY 29 N 1.80 0.75 0.14 6.18 0.00 -1.26 -4.69 105.19 108.12 2jqi n GLY 29 Ca -0.04 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.63 2jqi n GLY 29 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jqi h GLU 30 N 0.48 0.00 0.00 1.61 4.39 -2.00 -3.41 114.58 115.64 2jqi h GLU 30 Ca -0.37 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.30 2jqi h GLU 30 Cb 1.63 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.25 2jqi h GLU 30 CO -0.08 0.30 -0.07 0.09 -1.16 0.00 0.00 179.01 178.08 2jqi n ASN 31 N -3.06 -0.29 -4.46 1.42 3.02 -1.26 -4.96 115.26 105.68 2jqi n ASN 31 Ca -0.00 -0.77 -0.43 0.00 -0.03 0.00 0.00 54.58 53.35 2jqi n ASN 31 Cb 0.69 0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.94 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 0.01 4.48 0.06 2.41 -1.09 -1.26 -0.56 121.20 125.25 2jqi s ILE 32 Ca 0.01 -0.90 -0.19 0.00 -2.23 0.00 0.00 60.65 57.33 2jqi s ILE 32 Cb 0.04 -4.74 -0.08 0.00 -1.58 0.00 0.00 42.46 36.09 2jqi s ILE 32 CO -0.01 -1.50 1.30 0.58 -1.23 0.00 0.00 174.94 174.09 2jqi h VAL 33 N 5.96 0.00 -3.85 2.92 2.07 -1.79 -3.38 116.25 118.17 2jqi h VAL 33 Ca -0.08 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 2jqi h VAL 33 Cb 1.05 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.69 2jqi h VAL 33 CO 1.16 0.00 -0.31 0.00 0.02 0.00 0.00 177.57 178.45 2jqi s ARG 35 N -3.96 1.49 -0.21 0.00 3.52 0.32 -1.67 118.95 118.45 2jqi s ARG 35 Ca 0.16 -0.30 -0.21 0.00 -0.13 0.00 0.00 55.73 55.25 2jqi s ARG 35 Cb 0.03 -1.39 -0.02 0.00 -1.56 0.00 0.00 34.95 32.01 2jqi s ARG 35 CO -0.01 -0.11 0.65 0.08 -0.81 0.00 0.00 175.30 175.10 2jqi s VAL 36 N 1.15 5.00 -0.16 7.11 1.01 -0.99 0.12 120.40 133.63 2jqi s VAL 36 Ca -0.06 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.14 2jqi s VAL 36 Cb -0.14 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.31 2jqi s VAL 36 CO -0.02 0.09 -0.10 -0.63 0.00 0.00 0.00 175.10 174.44 2jqi s ILE 37 N 2.04 1.41 -0.23 2.22 1.01 0.29 -2.07 121.20 125.86 2jqi s ILE 37 Ca 0.29 -0.67 -0.29 0.00 0.00 0.00 0.00 60.65 59.98 2jqi s ILE 37 Cb -0.16 -1.43 0.01 0.00 0.01 0.00 0.00 42.46 40.89 2jqi s ILE 37 CO 0.10 0.30 1.04 0.00 0.00 0.00 0.00 174.94 176.39 2jqi n THR 39 N 5.33 1.07 1.73 0.00 -2.24 -1.25 -3.97 114.28 114.95 2jqi n THR 39 Ca 0.12 -0.69 0.15 0.00 -2.27 0.00 0.00 64.05 61.36 2jqi n THR 39 Cb 0.46 -0.61 0.86 0.00 -2.10 0.00 0.00 70.33 68.94 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 -2.80 0.00 -2.40 4.28 -2.24 -1.25 -4.95 114.28 104.92 2jqi n THR 40 Ca -0.12 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.63 2jqi n THR 40 Cb 0.85 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 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 1.11 -1.02 0.73 3.38 0.00 -1.25 -5.01 105.19 103.13 2jqi n GLY 41 Ca 0.19 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.79 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 -0.76 0.00 -4.90 1.61 6.02 -1.26 -5.11 117.38 112.97 2jqi n GLN 42 Ca 0.05 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.76 2jqi n GLN 42 Cb 0.36 -0.25 -0.15 0.00 1.02 0.00 0.00 30.24 31.22 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 -1.36 1.83 0.31 5.09 1.09 -1.26 -4.64 121.20 122.25 2jqi s ILE 43 Ca 0.00 -1.15 -0.29 0.00 -1.10 0.00 0.00 60.65 58.12 2jqi s ILE 43 Cb 0.00 -1.55 -0.10 0.00 -1.06 0.00 0.00 42.46 39.75 2jqi s ILE 43 CO 0.00 0.37 1.17 -2.16 -0.10 0.00 0.00 174.94 174.22 2jqi s PRO 44 N -0.92 4.47 0.06 2.79 0.04 -1.26 -4.23 135.00 135.96 2jqi s PRO 44 Ca 0.09 1.92 -0.35 0.00 0.04 0.00 0.00 61.00 62.71 2jqi s PRO 44 Cb -0.09 -3.07 -0.14 0.00 0.04 0.00 0.00 34.50 31.24 2jqi s PRO 44 CO 0.01 0.02 1.62 -0.89 0.04 0.00 0.00 177.00 177.80 2jqi n ILE 45 N 0.90 0.16 -4.42 0.56 5.41 -1.26 -4.86 119.36 115.84 2jqi n ILE 45 Ca 0.00 -0.03 -0.24 0.00 1.00 0.00 0.00 62.75 63.48 2jqi n ILE 45 Cb 0.44 -1.48 -0.09 0.00 -0.71 0.00 0.00 39.64 37.80 2jqi n ILE 45 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2jqi s ARG 46 N 1.75 1.87 -0.19 0.38 0.52 -0.88 -5.03 118.95 117.36 2jqi s ARG 46 Ca 0.84 -1.69 -0.01 0.00 -0.52 0.00 0.00 55.73 54.35 2jqi s ARG 46 Cb -0.75 -1.87 0.01 0.00 0.52 0.00 0.00 34.95 32.85 2jqi s ARG 46 CO 0.44 0.31 -0.14 0.16 0.02 0.00 0.00 175.30 176.10 2jqi s ASP 47 N -3.57 3.57 -0.14 0.23 -4.77 -1.26 -2.35 116.67 108.38 2jqi s ASP 47 Ca 0.31 -0.55 -0.07 0.00 -3.30 0.00 0.00 52.55 48.94 2jqi s ASP 47 Cb -0.05 -1.58 -0.04 0.00 -1.09 0.00 0.00 42.92 40.17 2jqi s ASP 47 CO 0.17 -0.00 0.12 -0.76 0.70 0.00 0.00 175.17 175.39 2jqi s LEU 48 N 1.33 4.20 0.08 2.11 1.43 -0.67 -5.01 118.68 122.15 2jqi s LEU 48 Ca 0.05 0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 53.37 2jqi s LEU 48 Cb -0.14 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.06 2jqi s LEU 48 CO -0.09 0.32 0.26 -0.44 0.23 0.00 0.00 176.35 176.64 2jqi s SER 49 N -0.51 -0.02 -0.02 2.29 0.01 -1.26 -2.73 113.70 111.45 2jqi s SER 49 Ca 0.12 -0.44 -0.02 0.00 1.31 0.00 0.00 55.95 56.91 2jqi s SER 49 Cb -0.12 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.48 2jqi s SER 49 CO 0.02 -0.71 0.05 0.00 0.41 0.00 0.00 173.24 173.01 2jqi s ALA 50 N -3.41 -0.13 0.07 1.44 0.00 0.28 -4.81 121.76 115.20 2jqi s ALA 50 Ca 0.01 0.06 -0.25 0.00 0.00 0.00 0.00 51.96 51.78 2jqi s ALA 50 Cb 0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 23.12 23.03 2jqi s ALA 50 CO -0.09 -0.06 0.78 -0.51 0.00 0.00 0.00 175.76 175.88 2jqi s ASP 51 N -0.24 7.25 0.11 0.00 1.01 -1.26 -4.55 116.67 118.99 2jqi s ASP 51 Ca -0.03 1.49 -0.17 0.00 0.71 0.00 0.00 52.55 54.55 2jqi s ASP 51 Cb -0.02 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 2jqi s ASP 51 CO 0.00 0.04 1.62 0.40 0.21 0.00 0.00 175.17 177.44 2jqi h ILE 52 N 4.00 1.21 -1.01 0.77 2.04 -1.92 -1.98 117.51 120.63 2jqi h ILE 52 Ca -0.44 -0.71 0.06 0.00 1.00 0.00 0.00 64.86 64.77 2jqi h ILE 52 Cb 1.21 1.05 -0.07 0.00 -0.74 0.00 0.00 36.82 38.27 2jqi h ILE 52 CO 0.70 0.24 0.65 0.28 0.00 0.00 0.00 178.15 180.03 2jqi h SER 53 N 0.38 1.05 -0.22 1.72 0.02 -1.98 0.34 113.55 114.86 2jqi h SER 53 Ca 0.11 0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.94 2jqi h SER 53 Cb 0.28 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2jqi h SER 53 CO -0.00 0.68 -0.30 1.56 -1.14 0.00 0.00 176.83 177.63 2jqi h GLN 54 N 1.20 0.72 -0.22 3.45 1.08 -1.94 -0.14 115.11 119.26 2jqi h GLN 54 Ca 0.43 -0.32 -0.17 0.00 -1.45 0.00 0.00 58.65 57.14 2jqi h GLN 54 Cb 0.15 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2jqi h GLN 54 CO -0.17 0.93 -0.53 0.28 -0.95 0.00 0.00 178.83 178.39 2jqi h VAL 55 N 0.61 1.30 0.00 -0.54 2.07 -0.46 0.86 116.25 120.09 2jqi h VAL 55 Ca 0.07 -1.75 -0.11 0.00 0.82 0.00 0.00 66.70 65.73 2jqi h VAL 55 Cb 0.82 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 2jqi h VAL 55 CO 0.07 0.55 -0.54 0.25 0.02 0.00 0.00 177.57 177.92 2jqi h LEU 56 N 0.47 0.00 0.00 2.57 5.85 -0.31 -3.27 115.31 120.62 2jqi h LEU 56 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2jqi h LEU 56 Cb 1.15 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 2jqi h LEU 56 CO 0.12 0.54 -0.04 0.11 -0.34 0.00 0.00 178.44 178.83 2jqi h LYS 57 N 0.00 0.00 -6.14 1.25 1.57 -0.96 -3.44 116.57 108.85 2jqi h LYS 57 Ca -0.01 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.20 2jqi h LYS 57 Cb 0.97 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 2jqi h LYS 57 CO 0.07 0.90 1.36 -1.21 -0.57 0.00 0.00 179.45 180.00 2jqi s GLU 58 N -2.16 3.42 -0.96 3.15 0.41 0.29 -4.89 118.70 117.96 2jqi s GLU 58 Ca -0.17 1.95 -0.01 0.00 -0.41 0.00 0.00 54.97 56.33 2jqi s GLU 58 Cb -0.02 -4.26 0.32 0.00 -1.78 0.00 0.00 34.13 28.38 2jqi s GLU 58 CO 0.62 -1.77 1.58 1.63 -0.49 0.00 0.00 175.26 176.83 2jqi n LYS 59 N 8.35 4.79 -4.26 1.61 4.76 -1.26 -4.85 118.16 127.30 2jqi n LYS 59 Ca 0.25 -4.67 -0.25 0.00 -2.87 0.00 0.00 58.31 50.77 2jqi n LYS 59 Cb 0.45 -2.44 -0.06 0.00 -1.84 0.00 0.00 35.03 31.14 2jqi n LYS 59 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2jqi n ARG 60 N 0.28 0.71 0.22 1.97 1.74 -1.26 -5.03 116.66 115.29 2jqi n ARG 60 Ca 0.39 -3.20 0.08 0.00 -0.77 0.00 0.00 57.85 54.35 2jqi n ARG 60 Cb 0.30 1.42 0.50 0.00 -1.02 0.00 0.00 32.46 33.66 2jqi n ARG 60 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2jqi h SER 61 N 1.34 0.00 -4.91 0.55 0.02 -2.02 -3.45 113.55 105.09 2jqi h SER 61 Ca -0.32 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.44 2jqi h SER 61 Cb 1.12 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.48 2jqi h SER 61 CO 0.52 0.26 -0.70 -0.51 -1.14 0.00 0.00 176.83 175.26 2jqi s ILE 62 N -4.00 0.37 -0.00 3.27 1.10 -1.26 -4.23 121.20 116.45 2jqi s ILE 62 Ca -0.02 -1.42 -0.04 0.00 -0.51 0.00 0.00 60.65 58.67 2jqi s ILE 62 Cb 0.13 -0.99 -0.01 0.00 0.15 0.00 0.00 42.46 41.73 2jqi s ILE 62 CO 0.66 -0.69 -0.08 0.29 -2.11 0.00 0.00 174.94 173.01 2jqi n LYS 63 N 0.81 0.12 -3.78 3.50 4.01 -1.08 -4.96 118.16 116.77 2jqi n LYS 63 Ca -0.18 0.05 -0.13 0.00 -0.51 0.00 0.00 58.31 57.53 2jqi n LYS 63 Cb 0.58 -0.57 -0.14 0.00 -0.51 0.00 0.00 35.03 34.38 2jqi n LYS 63 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 2jqi s LYS 64 N -1.78 0.10 -0.01 1.97 2.20 -1.18 -5.02 119.74 116.02 2jqi s LYS 64 Ca -0.06 0.28 0.03 0.00 -0.36 0.00 0.00 55.97 55.86 2jqi s LYS 64 Cb 0.01 -0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.22 2jqi s LYS 64 CO 0.09 -0.11 -0.10 0.08 -0.36 0.00 0.00 175.35 174.95 2jqi s VAL 65 N 0.77 0.81 -0.12 4.02 1.01 -1.26 -0.41 120.40 125.23 2jqi s VAL 65 Ca -0.06 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 2jqi s VAL 65 Cb -0.08 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 2jqi s VAL 65 CO -0.04 0.23 0.11 0.26 0.00 0.00 0.00 175.10 175.67 2jqi s TRP 66 N -0.17 3.50 -0.15 5.22 0.51 0.54 -4.89 118.94 123.51 2jqi s TRP 66 Ca 0.03 0.45 -0.03 0.00 -2.12 0.00 0.00 56.10 54.43 2jqi s TRP 66 Cb -0.05 -1.93 -0.02 0.00 -0.81 0.00 0.00 33.47 30.66 2jqi s TRP 66 CO -0.00 0.65 -0.06 0.99 -0.51 0.00 0.00 176.95 178.02 2jqi s THR 67 N -0.88 3.70 0.06 2.01 2.01 -1.26 0.15 115.64 121.43 2jqi s THR 67 Ca 0.14 -0.43 0.10 0.00 0.31 0.00 0.00 61.69 61.80 2jqi s THR 67 Cb -0.12 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 2jqi s THR 67 CO 0.03 0.51 -0.26 -0.36 -0.69 0.00 0.00 174.62 173.84 2jqi s PHE 68 N 0.30 2.30 -5.00 4.92 0.40 0.51 0.17 117.98 121.59 2jqi s PHE 68 Ca -0.05 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 2jqi s PHE 68 Cb -0.14 -1.35 0.00 0.00 0.51 0.00 0.00 43.02 42.03 2jqi s PHE 68 CO 0.04 0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.53 2jqi n GLY 69 N 1.61 -1.08 0.22 4.36 0.00 -0.41 0.14 105.19 110.04 2jqi n GLY 69 Ca -0.17 -1.20 0.09 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00 1.29 -2.97 1.61 1.74 0.29 -1.11 116.66 117.51 2jqi n ARG 70 Ca 0.00 -0.44 -0.40 0.00 -0.77 0.00 0.00 57.85 56.24 2jqi n ARG 70 Cb 0.00 -1.30 -0.05 0.00 -1.02 0.00 0.00 32.46 30.09 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 -1.50 7.14 0.30 0.55 3.04 0.14 -4.74 114.94 119.89 2jqi s ASN 71 Ca 0.27 1.37 0.23 0.00 0.04 0.00 0.00 52.86 54.77 2jqi s ASN 71 Cb 0.13 -2.46 1.11 0.00 -1.54 0.00 0.00 41.25 38.49 2jqi s ASN 71 CO 0.21 -0.07 1.71 -2.65 -3.04 0.00 0.00 177.10 173.25 2jqi n PRO 72 N 3.34 0.18 0.06 0.43 -0.02 -1.26 -1.69 135.00 136.03 2jqi n PRO 72 Ca -0.01 0.54 -0.22 0.00 -2.02 0.00 0.00 63.50 61.79 2jqi n PRO 72 Cb 0.51 -1.94 -0.15 0.00 -0.02 0.00 0.00 33.50 31.90 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 2.13 0.02 -1.43 3.55 0.00 -1.94 -3.46 119.26 118.12 2jqi h ALA 73 Ca 0.00 -0.91 -0.66 0.00 0.00 0.00 0.00 54.91 53.34 2jqi h ALA 73 Cb 0.19 0.29 0.10 0.00 0.00 0.00 0.00 17.79 18.37 2jqi h ALA 73 CO 0.00 0.66 -0.13 0.00 0.00 0.00 0.00 179.25 179.78 2jqi h ASP 75 N 1.92 0.00 -3.16 0.00 1.82 0.15 -3.37 116.42 113.79 2jqi h ASP 75 Ca -0.36 0.00 -0.57 0.00 -0.39 0.00 0.00 57.03 55.70 2jqi h ASP 75 Cb 1.39 0.00 -0.36 0.00 0.68 0.00 0.00 39.33 41.04 2jqi h ASP 75 CO 0.61 0.00 -0.82 -0.47 -1.61 0.00 0.00 179.24 176.95 2jqi s TYR 76 N -3.89 1.90 -0.33 0.28 5.04 -0.28 -4.95 117.35 115.11 2jqi s TYR 76 Ca -0.03 -1.02 -0.13 0.00 -2.44 0.00 0.00 57.07 53.45 2jqi s TYR 76 Cb 0.09 -1.45 -0.02 0.00 0.35 0.00 0.00 41.96 40.93 2jqi s TYR 76 CO 0.28 -0.59 0.23 -1.58 -1.34 0.00 0.00 175.55 172.55 2jqi s HIS 77 N 1.51 3.23 0.01 4.97 2.46 -1.25 -1.29 115.29 124.93 2jqi s HIS 77 Ca 0.04 -0.14 -0.00 0.00 0.47 0.00 0.00 55.06 55.43 2jqi s HIS 77 Cb -0.13 -2.46 0.00 0.00 -0.13 0.00 0.00 32.58 29.86 2jqi s HIS 77 CO -0.09 -0.32 0.01 1.28 -2.47 0.00 0.00 174.74 173.15 2jqi n LEU 78 N 5.10 0.00 -0.89 8.88 4.77 -0.27 -4.85 117.00 129.75 2jqi n LEU 78 Ca -0.13 -0.02 0.04 0.00 -0.03 0.00 0.00 56.01 55.88 2jqi n LEU 78 Cb 0.50 -0.01 0.17 0.00 -2.33 0.00 0.00 43.42 41.75 2jqi n LEU 78 CO 0.36 -0.50 0.58 0.61 -1.33 0.00 0.00 177.39 177.11 2jqi n GLY 79 N 4.94 1.39 2.61 -0.72 0.00 -1.26 -4.87 105.19 107.28 2jqi n GLY 79 Ca 0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 46.02 45.57 2jqi n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jqi n ASN 80 N 0.40 -6.79 -4.69 1.61 3.02 -1.26 -5.02 115.26 102.53 2jqi n ASN 80 Ca 0.12 0.36 -0.35 0.00 -0.03 0.00 0.00 54.58 54.69 2jqi n ASN 80 Cb 0.49 -4.54 -0.09 0.00 -0.61 0.00 0.00 39.78 35.03 2jqi n ASN 80 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jqi s ILE 81 N -2.40 4.93 0.55 2.41 1.01 -1.26 -4.98 121.20 121.46 2jqi s ILE 81 Ca 0.17 0.01 0.26 0.00 0.00 0.00 0.00 60.65 61.09 2jqi s ILE 81 Cb -0.05 -3.20 0.38 0.00 0.01 0.00 0.00 42.46 39.60 2jqi s ILE 81 CO 0.62 0.50 2.01 0.77 0.00 0.00 0.00 174.94 178.84 2jqi h SER 82 N 6.28 0.00 0.05 3.58 4.64 -2.00 -1.96 113.55 124.13 2jqi h SER 82 Ca -0.41 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.82 2jqi h SER 82 Cb 1.18 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2jqi h SER 82 CO 0.68 0.00 -0.35 0.03 -0.87 0.00 0.00 176.83 176.32 2jqi h ARG 83 N 0.00 0.16 -7.10 4.77 -0.00 -1.93 -3.46 114.38 106.82 2jqi h ARG 83 Ca 0.20 -0.23 -0.49 0.00 -0.50 0.00 0.00 59.98 58.96 2jqi h ARG 83 Cb 0.87 0.08 0.05 0.00 0.00 0.00 0.00 29.97 30.97 2jqi h ARG 83 CO -0.00 1.06 0.40 -0.51 0.00 0.00 0.00 179.97 180.92 2jqi s LEU 84 N -8.21 3.75 0.40 3.04 1.43 -0.74 -4.72 118.68 113.63 2jqi s LEU 84 Ca -0.16 2.01 0.03 0.00 -1.03 0.00 0.00 54.13 54.98 2jqi s LEU 84 Cb -0.00 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.64 2jqi s LEU 84 CO 0.75 -1.02 0.58 -0.44 0.23 0.00 0.00 176.35 176.45 2jqi s SER 85 N -2.02 5.93 0.23 2.29 0.01 -1.26 -4.62 113.70 114.25 2jqi s SER 85 Ca 0.69 0.13 -0.16 0.00 1.31 0.00 0.00 55.95 57.92 2jqi s SER 85 Cb -0.19 -1.48 0.25 0.00 0.21 0.00 0.00 66.02 64.82 2jqi s SER 85 CO 0.25 -0.56 1.58 0.78 0.41 0.00 0.00 173.24 175.70 2jqi h ASN 86 N 0.62 -1.10 -3.33 2.44 -0.26 -1.92 -2.38 115.58 109.65 2jqi h ASN 86 Ca -0.46 0.26 -0.62 0.00 -0.56 0.00 0.00 56.30 54.91 2jqi h ASN 86 Cb 1.25 0.61 -0.42 0.00 -1.06 0.00 0.00 38.32 38.71 2jqi h ASN 86 CO 0.56 -0.29 -0.58 -0.54 -1.06 0.00 0.00 177.43 175.52 2jqi s LYS 87 N -6.08 2.39 0.12 0.81 1.02 -1.26 0.10 119.74 116.85 2jqi s LYS 87 Ca -0.14 -3.23 -0.17 0.00 0.02 0.00 0.00 55.97 52.45 2jqi s LYS 87 Cb 0.20 -3.41 -0.03 0.00 -0.52 0.00 0.00 37.83 34.07 2jqi s LYS 87 CO 0.73 -1.26 1.69 1.25 -0.92 0.00 0.00 175.35 176.85 2jqi h HIS 88 N 5.59 0.48 -3.96 3.18 2.76 0.17 -3.36 115.15 120.00 2jqi h HIS 88 Ca 0.11 -0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.15 2jqi h HIS 88 Cb 0.78 -0.15 -0.15 0.00 1.55 0.00 0.00 27.41 29.44 2jqi h HIS 88 CO 0.66 0.42 -0.49 -0.59 -1.30 0.00 0.00 177.93 176.63 2jqi s PHE 89 N -5.69 0.29 0.01 5.26 -0.71 -0.35 0.13 117.98 116.91 2jqi s PHE 89 Ca -0.13 -0.75 0.02 0.00 -1.04 0.00 0.00 56.93 55.02 2jqi s PHE 89 Cb 0.09 -0.18 -0.01 0.00 -1.21 0.00 0.00 43.02 41.71 2jqi s PHE 89 CO 0.73 -0.47 -0.06 -1.14 -1.34 0.00 0.00 175.22 172.94 2jqi s GLN 90 N -3.79 0.46 -0.13 1.99 0.74 0.44 0.19 119.66 119.56 2jqi s GLN 90 Ca 0.05 -0.34 0.01 0.00 0.05 0.00 0.00 55.36 55.13 2jqi s GLN 90 Cb 0.06 -0.38 -0.00 0.00 1.10 0.00 0.00 33.01 33.78 2jqi s GLN 90 CO -0.10 0.10 -0.18 0.42 -0.55 0.00 0.00 175.29 174.98 2jqi s ILE 91 N -0.46 2.57 0.07 -2.34 1.01 0.40 0.19 121.20 122.64 2jqi s ILE 91 Ca -0.01 -0.82 0.05 0.00 0.00 0.00 0.00 60.65 59.87 2jqi s ILE 91 Cb -0.04 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 2jqi s ILE 91 CO -0.00 0.53 -0.07 -1.48 0.00 0.00 0.00 174.94 173.92 2jqi s LEU 92 N 0.54 3.14 -0.13 2.97 2.34 0.15 0.20 118.68 127.89 2jqi s LEU 92 Ca -0.11 -0.28 0.01 0.00 0.06 0.00 0.00 54.13 53.81 2jqi s LEU 92 Cb -0.16 -1.88 0.02 0.00 -0.56 0.00 0.00 46.19 43.60 2jqi s LEU 92 CO 0.04 0.21 -0.14 -0.22 -1.06 0.00 0.00 176.35 175.18 2jqi s LEU 93 N -1.95 1.68 0.00 1.48 2.96 0.46 -0.43 118.68 122.88 2jqi s LEU 93 Ca 0.21 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 2jqi s LEU 93 Cb -0.11 -1.12 0.00 0.00 0.50 0.00 0.00 46.19 45.46 2jqi s LEU 93 CO 0.12 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.74 2jqi n GLY 94 N 4.48 -0.47 2.52 7.98 0.00 -1.07 -2.65 105.19 115.98 2jqi n GLY 94 Ca -0.18 -1.11 -0.04 0.00 0.00 0.00 0.00 46.02 44.70 2jqi n GLY 94 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jqi n GLU 95 N 0.00 -4.84 0.00 1.61 0.00 -1.26 -3.40 120.64 112.75 2jqi n GLU 95 Ca 0.00 3.60 0.00 0.00 0.00 0.00 0.00 57.16 60.76 2jqi n GLU 95 Cb 0.00 -5.00 0.00 0.00 0.00 0.00 0.00 31.44 26.44 2jqi n GLU 95 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2jqi n ASP 96 N 1.76 0.00 0.00 4.31 -0.08 -1.26 -3.04 116.55 118.24 2jqi n ASP 96 Ca -0.30 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.98 2jqi n ASP 96 Cb 0.47 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.93 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 0.00 0.00 2.65 0.27 0.00 -1.26 -5.18 105.19 101.67 2jqi n GLY 97 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2jqi n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jqi n ASN 98 N 0.00 0.94 -4.73 1.61 3.02 -1.17 -5.02 115.26 109.91 2jqi n ASN 98 Ca 0.00 -2.73 -0.31 0.00 -0.03 0.00 0.00 54.58 51.51 2jqi n ASN 98 Cb 0.00 0.89 -0.07 0.00 -0.61 0.00 0.00 39.78 39.98 2jqi n ASN 98 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2jqi s LEU 99 N 0.00 3.64 0.04 3.41 0.20 -1.26 -2.60 118.68 122.11 2jqi s LEU 99 Ca 0.18 -0.05 0.04 0.00 0.69 0.00 0.00 54.13 54.99 2jqi s LEU 99 Cb 0.01 -2.28 -0.02 0.00 -0.43 0.00 0.00 46.19 43.47 2jqi s LEU 99 CO 0.13 0.20 -0.11 -0.76 -0.29 0.00 0.00 176.35 175.53 2jqi s LEU 100 N -2.13 2.20 -0.17 -0.68 1.02 0.43 -2.34 118.68 117.01 2jqi s LEU 100 Ca 0.26 -0.47 -0.02 0.00 0.02 0.00 0.00 54.13 53.91 2jqi s LEU 100 Cb -0.12 -0.39 -0.01 0.00 0.02 0.00 0.00 46.19 45.69 2jqi s LEU 100 CO 0.18 -0.07 -0.08 -0.22 0.02 0.00 0.00 176.35 176.18 2jqi s LEU 101 N -1.27 2.85 -0.24 1.79 0.20 -0.13 -0.68 118.68 121.20 2jqi s LEU 101 Ca -0.03 -0.34 -0.02 0.00 0.69 0.00 0.00 54.13 54.44 2jqi s LEU 101 Cb -0.08 -1.69 0.02 0.00 -0.43 0.00 0.00 46.19 44.02 2jqi s LEU 101 CO 0.01 0.08 -0.06 0.21 -0.29 0.00 0.00 176.35 176.30 2jqi s ASN 102 N 0.87 4.28 0.13 3.68 2.47 0.50 -2.12 114.94 124.75 2jqi s ASN 102 Ca -0.02 -0.83 -0.30 0.00 0.42 0.00 0.00 52.86 52.12 2jqi s ASN 102 Cb -0.15 -1.66 -0.06 0.00 -1.45 0.00 0.00 41.25 37.93 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 1.33 7.48 -0.27 -4.21 1.47 -1.25 0.17 116.67 121.38 2jqi s ASP 103 Ca 0.01 1.85 0.22 0.00 1.18 0.00 0.00 52.55 55.80 2jqi s ASP 103 Cb -0.16 -2.59 0.50 0.00 -0.34 0.00 0.00 42.92 40.32 2jqi s ASP 103 CO -0.05 -0.07 1.17 2.30 0.68 0.00 0.00 175.17 179.20 2jqi n ILE 104 N 2.64 1.10 -3.96 2.11 -5.35 -0.69 0.21 119.36 115.41 2jqi n ILE 104 Ca 0.02 -2.66 -0.24 0.00 -0.27 0.00 0.00 62.75 59.60 2jqi n ILE 104 Cb 0.49 1.27 -0.03 0.00 -1.74 0.00 0.00 39.64 39.62 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 -3.44 6.30 0.25 7.28 0.01 0.35 -4.17 113.70 120.27 2jqi s SER 105 Ca 0.25 0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.63 2jqi s SER 105 Cb 0.34 -1.87 0.29 0.00 0.21 0.00 0.00 66.02 64.99 2jqi s SER 105 CO -0.05 -0.00 1.63 0.74 0.41 0.00 0.00 173.24 175.97 2jqi h THR 106 N 1.44 1.30 0.00 1.44 2.02 -1.88 -3.23 112.91 113.99 2jqi h THR 106 Ca -0.50 -1.51 -0.00 0.00 0.77 0.00 0.00 66.41 65.17 2jqi h THR 106 Cb 1.21 1.53 -0.00 0.00 -1.74 0.00 0.00 68.15 69.16 2jqi h THR 106 CO 0.65 0.47 -1.86 -0.46 0.37 0.00 0.00 175.52 174.69 2jqi n ASN 107 N -4.04 0.12 0.00 4.18 0.23 -1.26 -5.09 115.26 109.39 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 1.78 0.00 0.00 -2.08 0.00 0.00 39.78 39.97 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 3.27 3.36 4.83 0.00 -1.22 -4.93 105.19 111.74 2jqi n GLY 108 Ca -0.04 -1.95 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.78 2.46 0.09 2.61 2.01 -1.26 -4.41 115.64 114.36 2jqi s THR 109 Ca 0.00 -0.94 0.08 0.00 0.31 0.00 0.00 61.69 61.14 2jqi s THR 109 Cb 0.00 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 2jqi s THR 109 CO 0.00 0.58 -0.15 0.26 -0.69 0.00 0.00 174.62 174.61 2jqi s TRP 110 N -0.45 2.61 -0.21 4.92 0.51 0.32 -2.38 118.94 124.26 2jqi s TRP 110 Ca 0.05 -0.22 0.01 0.00 -2.12 0.00 0.00 56.10 53.82 2jqi s TRP 110 Cb -0.12 -1.41 0.05 0.00 -0.81 0.00 0.00 33.47 31.18 2jqi s TRP 110 CO 0.01 0.36 -0.09 -1.17 -0.51 0.00 0.00 176.95 175.55 2jqi s LEU 111 N -1.95 2.44 -1.69 2.99 2.96 0.12 0.14 118.68 123.68 2jqi s LEU 111 Ca 0.18 -0.99 -0.15 0.00 -0.22 0.00 0.00 54.13 52.95 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 -0.17 0.59 0.59 -1.32 0.00 0.00 176.35 176.14 2jqi n ASN 112 N 4.66 -1.97 0.00 3.68 5.03 -1.08 0.89 115.26 126.47 2jqi n ASN 112 Ca -0.14 -1.10 0.00 0.00 0.87 0.00 0.00 54.58 54.21 2jqi n ASN 112 Cb 0.46 -2.37 0.00 0.00 -1.02 0.00 0.00 39.78 36.84 2jqi n ASN 112 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jqi n GLY 113 N -1.55 1.67 3.44 7.41 0.00 -1.26 -5.02 105.19 109.88 2jqi n GLY 113 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2jqi n GLY 113 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jqi s GLN 114 N -0.40 3.55 0.09 1.61 0.74 0.26 -5.07 119.66 120.43 2jqi s GLN 114 Ca 0.00 -0.56 -0.30 0.00 0.05 0.00 0.00 55.36 54.55 2jqi s GLN 114 Cb 0.00 -3.40 -0.06 0.00 1.10 0.00 0.00 33.01 30.65 2jqi s GLN 114 CO 0.00 -0.26 1.19 0.21 -0.55 0.00 0.00 175.29 175.88 2jqi s LYS 115 N 1.61 4.46 0.35 1.67 2.47 -1.26 0.12 119.74 129.16 2jqi s LYS 115 Ca 0.06 1.78 0.07 0.00 -1.56 0.00 0.00 55.97 56.32 2jqi s LYS 115 Cb -0.16 -3.32 -0.02 0.00 -1.46 0.00 0.00 37.83 32.87 2jqi s LYS 115 CO 0.04 -0.19 0.39 0.14 0.16 0.00 0.00 175.35 175.89 2jqi s VAL 116 N 0.74 3.57 0.03 4.02 -7.23 -1.00 -4.94 120.40 115.60 2jqi s VAL 116 Ca 0.57 -1.21 -0.30 0.00 -1.81 0.00 0.00 61.98 59.22 2jqi s VAL 116 Cb -0.30 -3.22 -0.06 0.00 0.56 0.00 0.00 36.38 33.35 2jqi s VAL 116 CO 0.31 -0.13 1.42 -1.61 -0.31 0.00 0.00 175.10 174.77 2jqi s GLU 117 N -4.10 4.28 0.99 4.82 0.41 -1.26 -4.61 118.70 119.23 2jqi s GLU 117 Ca 0.44 2.02 -0.14 0.00 -0.41 0.00 0.00 54.97 56.89 2jqi s GLU 117 Cb -0.07 -3.51 0.07 0.00 -1.78 0.00 0.00 34.13 28.84 2jqi s GLU 117 CO 0.29 -0.56 0.43 1.17 -0.49 0.00 0.00 175.26 176.10 2jqi n LYS 118 N 5.09 -0.64 -2.69 1.61 4.81 -1.26 -2.27 118.16 122.81 2jqi n LYS 118 Ca 0.13 -0.15 -0.13 0.00 -0.87 0.00 0.00 58.31 57.29 2jqi n LYS 118 Cb 0.43 -1.89 -0.02 0.00 0.02 0.00 0.00 35.03 33.57 2jqi n LYS 118 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2jqi n ASN 119 N -1.81 -0.98 -4.56 3.14 3.02 0.56 -4.85 115.26 109.78 2jqi n ASN 119 Ca 0.06 -0.16 -0.31 0.00 -0.03 0.00 0.00 54.58 54.13 2jqi n ASN 119 Cb 0.55 -0.91 -0.11 0.00 -0.61 0.00 0.00 39.78 38.70 2jqi n ASN 119 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2jqi s SER 120 N -1.95 4.38 -0.04 6.41 0.15 -0.96 -4.91 113.70 116.79 2jqi s SER 120 Ca 0.25 -0.24 -0.24 0.00 0.70 0.00 0.00 55.95 56.42 2jqi s SER 120 Cb -0.15 -0.93 -0.04 0.00 -1.71 0.00 0.00 66.02 63.19 2jqi s SER 120 CO 0.31 0.26 0.73 0.20 1.20 0.00 0.00 173.24 175.94 2jqi s ASN 121 N -1.51 7.05 0.04 5.45 0.02 -1.26 -3.90 114.94 120.84 2jqi s ASN 121 Ca 0.17 1.27 0.05 0.00 -1.02 0.00 0.00 52.86 53.33 2jqi s ASN 121 Cb -0.11 -2.43 -0.02 0.00 0.02 0.00 0.00 41.25 38.71 2jqi s ASN 121 CO 0.08 -0.09 -0.15 -1.10 0.02 0.00 0.00 177.10 175.85 2jqi s GLN 122 N 0.62 0.99 -0.28 -0.60 -1.52 -0.90 -4.91 119.66 113.07 2jqi s GLN 122 Ca 0.39 -0.78 -0.29 0.00 -1.95 0.00 0.00 55.36 52.72 2jqi s GLN 122 Cb -0.18 -1.01 -0.01 0.00 -0.22 0.00 0.00 33.01 31.58 2jqi s GLN 122 CO 0.20 0.25 1.46 -1.17 -0.25 0.00 0.00 175.29 175.78 2jqi s LEU 123 N -1.15 3.84 0.87 2.90 2.96 -1.26 -0.95 118.68 125.89 2jqi s LEU 123 Ca 0.02 1.35 -0.14 0.00 -0.22 0.00 0.00 54.13 55.15 2jqi s LEU 123 Cb -0.08 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.10 2jqi s LEU 123 CO 0.01 -1.21 0.60 -0.11 -1.32 0.00 0.00 176.35 174.33 2jqi n LEU 124 N 8.19 0.98 -4.33 -0.68 7.94 -0.99 -4.92 117.00 123.19 2jqi n LEU 124 Ca 0.17 0.44 -0.23 0.00 -1.11 0.00 0.00 56.01 55.28 2jqi n LEU 124 Cb 0.46 -1.27 -0.12 0.00 0.53 0.00 0.00 43.42 43.02 2jqi n LEU 124 CO 0.65 -3.12 -0.50 -0.44 -1.11 0.00 0.00 177.39 172.87 2jqi s SER 125 N -1.93 2.74 -0.01 1.96 0.01 -1.26 -4.99 113.70 110.23 2jqi s SER 125 Ca 0.62 -0.80 -0.30 0.00 1.31 0.00 0.00 55.95 56.78 2jqi s SER 125 Cb -0.26 -0.16 -0.05 0.00 0.21 0.00 0.00 66.02 65.75 2jqi s SER 125 CO 0.62 0.02 1.37 -1.10 0.41 0.00 0.00 173.24 174.56 2jqi s GLN 126 N -2.46 4.29 -2.02 12.44 -1.52 -1.26 -2.53 119.66 126.61 2jqi s GLN 126 Ca 0.13 1.93 0.00 0.00 -1.95 0.00 0.00 55.36 55.47 2jqi s GLN 126 Cb -0.08 -3.57 0.00 0.00 -0.22 0.00 0.00 33.01 29.15 2jqi s GLN 126 CO 0.06 -0.56 0.00 0.41 -0.25 0.00 0.00 175.29 174.96 2jqi n GLY 127 N 3.61 1.81 3.35 3.09 0.00 -1.17 -4.94 105.19 110.93 2jqi n GLY 127 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2jqi n GLY 127 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jqi n ASP 128 N -1.31 -2.63 -3.78 1.61 2.03 -1.05 -4.58 116.55 106.85 2jqi n ASP 128 Ca -0.19 -0.39 -0.13 0.00 0.52 0.00 0.00 54.79 54.61 2jqi n ASP 128 Cb 0.66 -1.12 -0.13 0.00 -0.72 0.00 0.00 41.12 39.81 2jqi n ASP 128 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2jqi s GLU 129 N -4.38 0.19 -0.18 -0.67 2.12 -1.26 -0.64 118.70 113.88 2jqi s GLU 129 Ca 0.65 0.35 -0.05 0.00 0.36 0.00 0.00 54.97 56.28 2jqi s GLU 129 Cb -0.20 -0.01 -0.03 0.00 0.26 0.00 0.00 34.13 34.16 2jqi s GLU 129 CO 0.62 -0.09 -0.00 0.42 -0.54 0.00 0.00 175.26 175.67 2jqi s ILE 130 N 0.60 4.12 -0.11 -3.70 1.01 0.42 -2.65 121.20 120.88 2jqi s ILE 130 Ca -0.04 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.30 2jqi s ILE 130 Cb -0.06 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 2jqi s ILE 130 CO -0.03 0.46 0.05 -0.89 0.00 0.00 0.00 174.94 174.54 2jqi s THR 131 N 0.58 4.76 0.05 2.92 2.01 0.37 -0.36 115.64 125.96 2jqi s THR 131 Ca -0.01 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.91 2jqi s THR 131 Cb -0.14 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 2jqi s THR 131 CO 0.02 0.58 -0.02 0.68 -0.69 0.00 0.00 174.62 175.20 2jqi s VAL 132 N -0.69 0.20 0.00 3.82 -7.23 0.16 0.12 120.40 116.78 2jqi s VAL 132 Ca 0.12 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 2jqi s VAL 132 Cb -0.12 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.49 2jqi s VAL 132 CO 0.02 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.51 2jqi n GLY 133 N 0.32 0.77 3.77 2.32 0.00 -1.26 0.12 105.19 111.23 2jqi n GLY 133 Ca -0.15 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.00 3.03 0.00 1.61 1.01 -1.26 -3.49 120.40 119.30 2jqi s VAL 134 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.00 2jqi s VAL 134 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.74 2jqi s VAL 134 CO 0.00 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.94 2jqi n GLY 135 N 0.92 3.21 3.06 4.51 0.00 -1.26 -4.99 105.19 110.64 2jqi n GLY 135 Ca 0.00 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 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 1.38 0.40 1.61 1.01 -1.26 -5.02 120.40 118.51 2jqi s VAL 136 Ca 0.00 -0.61 0.17 0.00 0.00 0.00 0.00 61.98 61.54 2jqi s VAL 136 Cb 0.00 -1.25 0.38 0.00 0.00 0.00 0.00 36.38 35.51 2jqi s VAL 136 CO 0.00 0.41 1.81 -0.08 0.00 0.00 0.00 175.10 177.24 2jqi h GLU 137 N 7.05 0.43 -0.32 2.72 4.81 -1.99 0.30 114.58 127.58 2jqi h GLU 137 Ca -0.29 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2jqi h GLU 137 Cb 1.19 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2jqi h GLU 137 CO 0.47 0.28 0.00 0.43 -0.73 0.00 0.00 179.01 179.47 2jqi n SER 138 N -4.59 2.43 -0.43 1.04 7.64 -1.26 -4.17 113.62 114.29 2jqi n SER 138 Ca 0.23 -1.88 0.07 0.00 1.01 0.00 0.00 58.87 58.30 2jqi n SER 138 Cb 0.77 -0.21 0.18 0.00 -1.01 0.00 0.00 64.21 63.94 2jqi n SER 138 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2jqi n ASP 139 N 0.82 1.91 -4.68 6.43 -0.08 0.11 -5.02 116.55 116.05 2jqi n ASP 139 Ca 0.17 -3.60 -0.35 0.00 -1.51 0.00 0.00 54.79 49.50 2jqi n ASP 139 Cb 0.43 -0.49 -0.10 0.00 2.34 0.00 0.00 41.12 43.30 2jqi n ASP 139 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2jqi s ILE 140 N -3.07 4.31 -0.06 5.18 1.01 -1.20 -4.31 121.20 123.07 2jqi s ILE 140 Ca 0.36 -0.24 0.06 0.00 0.00 0.00 0.00 60.65 60.82 2jqi s ILE 140 Cb 0.34 -2.82 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 2jqi s ILE 140 CO -0.04 0.60 -0.24 -0.22 0.00 0.00 0.00 174.94 175.04 2jqi s LEU 141 N -0.83 2.06 -0.10 2.97 0.20 0.32 -4.95 118.68 118.35 2jqi s LEU 141 Ca 0.13 -0.51 0.00 0.00 0.69 0.00 0.00 54.13 54.44 2jqi s LEU 141 Cb -0.11 -1.35 -0.02 0.00 -0.43 0.00 0.00 46.19 44.27 2jqi s LEU 141 CO 0.02 0.23 -0.10 -0.44 -0.29 0.00 0.00 176.35 175.77 2jqi s SER 142 N -0.08 4.33 -0.04 3.68 0.01 -1.26 0.39 113.70 120.73 2jqi s SER 142 Ca -0.06 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.05 2jqi s SER 142 Cb -0.14 -1.37 0.00 0.00 0.21 0.00 0.00 66.02 64.72 2jqi s SER 142 CO 0.04 0.25 -0.12 -0.76 0.41 0.00 0.00 173.24 173.07 2jqi s LEU 143 N -0.17 1.81 -0.09 2.44 2.01 0.51 -3.85 118.68 121.34 2jqi s LEU 143 Ca 0.01 -0.25 -0.00 0.00 0.01 0.00 0.00 54.13 53.89 2jqi s LEU 143 Cb -0.13 -0.72 -0.03 0.00 0.01 0.00 0.00 46.19 45.32 2jqi s LEU 143 CO 0.03 0.09 -0.07 -0.69 1.01 0.00 0.00 176.35 176.72 2jqi s VAL 144 N 0.19 3.64 -0.11 -1.59 1.01 0.13 0.16 120.40 123.83 2jqi s VAL 144 Ca -0.04 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 2jqi s VAL 144 Cb -0.10 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 2jqi s VAL 144 CO 0.01 0.57 0.02 -0.63 0.00 0.00 0.00 175.10 175.07 2jqi s ILE 145 N -0.44 4.43 -0.17 2.22 -1.09 0.19 0.10 121.20 126.44 2jqi s ILE 145 Ca 0.06 -0.19 -0.01 0.00 -2.23 0.00 0.00 60.65 58.28 2jqi s ILE 145 Cb -0.12 -2.90 -0.01 0.00 -1.58 0.00 0.00 42.46 37.85 2jqi s ILE 145 CO 0.02 0.57 -0.11 -0.36 -1.23 0.00 0.00 174.94 173.84 2jqi s PHE 146 N -0.56 2.86 -0.19 3.97 0.40 0.32 -3.03 117.98 121.76 2jqi s PHE 146 Ca 0.10 -0.93 -0.10 0.00 -0.60 0.00 0.00 56.93 55.40 2jqi s PHE 146 Cb -0.12 -1.96 -0.05 0.00 0.51 0.00 0.00 43.02 41.40 2jqi s PHE 146 CO 0.02 -0.45 0.16 0.42 0.70 0.00 0.00 175.22 176.07 2jqi s ILE 147 N 0.96 5.40 -0.32 0.64 1.09 -1.26 0.12 121.20 127.83 2jqi s ILE 147 Ca -0.02 0.25 -0.27 0.00 -1.10 0.00 0.00 60.65 59.51 2jqi s ILE 147 Cb -0.15 -3.49 0.01 0.00 -1.06 0.00 0.00 42.46 37.77 2jqi s ILE 147 CO -0.01 0.45 0.97 0.20 -0.10 0.00 0.00 174.94 176.44 2jqi s ASN 148 N 0.27 6.83 0.59 3.58 -0.87 -1.18 -4.91 114.94 119.25 2jqi s ASN 148 Ca 0.10 0.90 0.34 0.00 -1.57 0.00 0.00 52.86 52.63 2jqi s ASN 148 Cb -0.11 -2.49 1.84 0.00 -0.02 0.00 0.00 41.25 40.47 2jqi s ASN 148 CO -0.01 -0.78 2.20 0.44 -2.57 0.00 0.00 177.10 176.38 2jqi h ASP 149 N 8.10 0.00 -0.51 -1.22 3.32 -1.92 -2.57 116.42 121.62 2jqi h ASP 149 Ca -0.22 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.85 2jqi h ASP 149 Cb 1.07 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 2jqi h ASP 149 CO 0.98 0.04 0.31 0.11 -1.72 0.00 0.00 179.24 178.96 2jqi h LYS 150 N 0.00 0.60 -0.97 3.56 1.57 -1.91 -2.01 116.57 117.41 2jqi h LYS 150 Ca -0.00 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2jqi h LYS 150 Cb 0.17 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.29 2jqi h LYS 150 CO 0.01 0.40 0.63 0.35 -0.57 0.00 0.00 179.45 180.26 2jqi h PHE 151 N 0.62 1.17 -0.28 -1.35 3.57 -1.76 -1.39 116.94 117.51 2jqi h PHE 151 Ca 0.20 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 2jqi h PHE 151 Cb 0.01 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 38.35 2jqi h PHE 151 CO -0.06 0.64 -0.10 0.87 -2.23 0.00 0.00 178.31 177.43 2jqi h LYS 152 N 1.18 0.46 -0.49 1.11 1.57 -1.49 -2.69 116.57 116.22 2jqi h LYS 152 Ca 0.40 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.96 2jqi h LYS 152 Cb 0.08 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2jqi h LYS 152 CO -0.15 0.56 -0.10 0.37 -0.57 0.00 0.00 179.45 179.57 2jqi h GLN 153 N 0.43 0.89 -0.33 3.15 5.75 -0.58 -1.14 115.11 123.28 2jqi h GLN 153 Ca 0.08 -0.30 -0.01 0.00 -0.15 0.00 0.00 58.65 58.27 2jqi h GLN 153 Cb 0.44 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 2jqi h GLN 153 CO 0.02 0.94 0.16 0.00 -2.65 0.00 0.00 178.83 177.30 2jqi h LEU 155 N 0.40 1.01 -0.28 0.00 4.07 -1.42 0.84 115.31 119.93 2jqi h LEU 155 Ca 0.11 -0.38 0.01 0.00 0.08 0.00 0.00 57.88 57.71 2jqi h LEU 155 Cb 0.13 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.58 2jqi h LEU 155 CO -0.01 1.17 0.17 -0.08 -1.08 0.00 0.00 178.44 178.61 2jqi h GLU 156 N 0.86 0.34 0.13 1.13 4.81 -1.03 -3.00 114.58 117.81 2jqi h GLU 156 Ca 0.11 -0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 59.04 2jqi h GLU 156 Cb 0.78 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.08 2jqi h GLU 156 CO 0.06 0.23 -1.33 1.96 -0.73 0.00 0.00 179.01 179.20 2jqi h GLN 157 N 0.35 0.27 -6.27 1.92 1.08 -1.24 -3.49 115.11 107.72 2jqi h GLN 157 Ca 0.11 -0.45 -0.09 0.00 -1.45 0.00 0.00 58.65 56.76 2jqi h GLN 157 Cb -0.02 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2jqi h GLN 157 CO -0.04 1.19 -1.04 0.27 -0.95 0.00 0.00 178.83 178.26 2jqi n ASN 158 N -3.51 -6.48 -4.66 1.46 0.23 0.29 -4.97 115.26 97.61 2jqi n ASN 158 Ca -0.11 0.37 -0.32 0.00 -0.53 0.00 0.00 54.58 53.98 2jqi n ASN 158 Cb 1.03 -2.04 -0.09 0.00 -2.08 0.00 0.00 39.78 36.60 2jqi n ASN 158 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2jqi s LYS 159 N -1.45 2.72 -0.11 -3.83 2.20 -1.26 -5.08 119.74 112.93 2jqi s LYS 159 Ca 0.10 -0.65 -0.09 0.00 -0.36 0.00 0.00 55.97 54.97 2jqi s LYS 159 Cb -0.01 -2.63 -0.04 0.00 -1.51 0.00 0.00 37.83 33.64 2jqi s LYS 159 CO 0.30 0.62 0.19 0.54 -0.36 0.00 0.00 175.35 176.64 2jqi s VAL 160 N -1.08 5.41 0.12 4.02 0.11 -1.26 -4.86 120.40 122.86 2jqi s VAL 160 Ca 0.19 0.33 0.00 0.00 -2.93 0.00 0.00 61.98 59.57 2jqi s VAL 160 Cb -0.11 -3.47 0.00 0.00 -1.53 0.00 0.00 36.38 31.26 2jqi s VAL 160 CO 0.10 0.58 0.00 0.47 -3.33 0.00 0.00 175.10 172.92 2jqi n ASP 161 N 2.22 -8.50 0.11 3.54 9.92 -1.26 -4.84 116.55 117.74 2jqi n ASP 161 Ca -0.18 1.42 -0.01 0.00 -0.53 0.00 0.00 54.79 55.49 2jqi n ASP 161 Cb 0.54 -4.72 0.26 0.00 -0.64 0.00 0.00 41.12 36.56 2jqi n ASP 161 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 2jqi h ARG 162 N 3.87 0.21 -6.05 -1.24 1.12 -2.07 -3.42 114.38 106.80 2jqi h ARG 162 Ca 0.00 -0.09 -0.59 0.00 -1.11 0.00 0.00 59.98 58.19 2jqi h ARG 162 Cb 0.00 -0.01 -0.05 0.00 -0.01 0.00 0.00 29.97 29.90 2jqi h ARG 162 CO 0.00 0.56 -0.14 0.96 -3.11 0.00 0.00 179.97 178.24 2jqi s ILE 163 N -4.22 4.96 0.00 1.20 -4.36 -1.26 -5.24 121.20 112.27 2jqi s ILE 163 Ca -0.04 0.98 0.00 0.00 -0.26 0.00 0.00 60.65 61.33 2jqi s ILE 163 Cb 0.14 -3.79 0.00 0.00 1.25 0.00 0.00 42.46 40.06 2jqi s ILE 163 CO 0.76 0.53 0.45 -1.14 0.24 0.00 0.00 174.94 175.78