#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 -0.11 0.00 -1.04 -1.26 -4.84 114.28 107.03 2jqi n THR 15 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 2jqi n THR 15 Cb 0.00 -0.44 0.02 0.00 -1.82 0.00 0.00 70.33 68.09 2jqi n THR 15 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 2jqi h GLN 16 N 0.00 0.88 -0.67 -2.82 1.08 -2.06 -2.99 115.11 108.53 2jqi h GLN 16 Ca 0.00 -0.41 0.03 0.00 -1.45 0.00 0.00 58.65 56.82 2jqi h GLN 16 Cb 0.00 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 2jqi h GLN 16 CO 0.00 1.06 0.45 -0.09 -0.95 0.00 0.00 178.83 179.30 2jqi h ARG 17 N 0.74 0.80 -0.56 1.46 2.43 -1.99 -1.93 114.38 115.33 2jqi h ARG 17 Ca 0.08 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 2jqi h ARG 17 Cb 0.87 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 2jqi h ARG 17 CO 0.08 0.53 0.16 0.35 -1.51 0.00 0.00 179.97 179.58 2jqi h PHE 18 N 0.82 0.91 -0.60 2.20 3.04 -1.85 0.12 116.94 121.58 2jqi h PHE 18 Ca 0.27 -0.10 -0.05 0.00 3.98 0.00 0.00 57.97 62.07 2jqi h PHE 18 Cb 0.05 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.27 2jqi h PHE 18 CO -0.00 0.78 0.19 -0.07 -2.02 0.00 0.00 178.31 177.19 2jqi h LEU 19 N 0.79 0.87 -0.08 0.59 3.38 -1.33 -0.85 115.31 118.68 2jqi h LEU 19 Ca 0.18 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2jqi h LEU 19 Cb 0.30 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2jqi h LEU 19 CO -0.00 0.84 -0.05 0.40 0.09 0.00 0.00 178.44 179.72 2jqi h ILE 20 N 0.85 1.34 -0.36 1.22 1.08 -1.18 -3.11 117.51 117.35 2jqi h ILE 20 Ca 0.19 -1.12 0.00 0.00 -0.39 0.00 0.00 64.86 63.55 2jqi h ILE 20 Cb 0.28 1.92 -0.02 0.00 -3.07 0.00 0.00 36.82 35.93 2jqi h ILE 20 CO -0.01 0.31 0.24 -0.33 -0.69 0.00 0.00 178.15 177.67 2jqi h GLU 21 N -0.21 0.47 -0.30 2.37 5.08 -0.71 -2.17 114.58 119.12 2jqi h GLU 21 Ca 0.02 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2jqi h GLU 21 Cb 0.52 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2jqi h GLU 21 CO 0.01 0.31 0.19 -0.22 -1.00 0.00 0.00 179.01 178.31 2jqi h LYS 22 N 0.49 0.38 -0.07 2.33 1.63 -1.08 0.77 116.57 121.02 2jqi h LYS 22 Ca 0.13 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.86 2jqi h LYS 22 Cb -0.06 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.49 2jqi h LYS 22 CO -0.03 0.25 -0.16 0.27 -3.45 0.00 0.00 179.45 176.34 2jqi h PHE 23 N 0.39 0.28 0.00 1.91 -5.15 -1.49 -3.16 116.94 109.73 2jqi h PHE 23 Ca 0.11 -0.11 -0.05 0.00 -0.20 0.00 0.00 57.97 57.73 2jqi h PHE 23 Cb -0.03 -0.05 -0.01 0.00 0.22 0.00 0.00 35.95 36.08 2jqi h PHE 23 CO -0.06 0.76 -0.21 0.66 -2.00 0.00 0.00 178.31 177.46 2jqi h SER 24 N -0.28 0.00 0.00 -0.68 4.64 -1.34 -3.46 113.55 112.43 2jqi h SER 24 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jqi h SER 24 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 2jqi h SER 24 CO 0.03 0.21 0.00 0.00 -0.87 0.00 0.00 176.83 176.21 2jqi n GLN 25 N -4.01 0.00 -2.59 4.77 6.02 0.27 -4.74 117.38 117.09 2jqi n GLN 25 Ca -0.02 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.61 2jqi n GLN 25 Cb 0.29 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.51 2jqi n GLN 25 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2jqi s GLU 26 N 0.00 4.21 -0.44 -1.09 0.41 -1.26 -4.87 118.70 115.66 2jqi s GLU 26 Ca 0.00 1.45 -0.27 0.00 -0.41 0.00 0.00 54.97 55.74 2jqi s GLU 26 Cb 0.00 -2.53 -0.04 0.00 -1.78 0.00 0.00 34.13 29.78 2jqi s GLU 26 CO 0.00 -0.09 2.07 -0.65 -0.49 0.00 0.00 175.26 176.10 2jqi s GLN 27 N -2.51 2.73 0.17 1.61 1.11 -1.26 -4.94 119.66 116.55 2jqi s GLN 27 Ca 0.57 1.28 -0.28 0.00 0.01 0.00 0.00 55.36 56.95 2jqi s GLN 27 Cb -0.20 -4.40 -0.08 0.00 -1.01 0.00 0.00 33.01 27.32 2jqi s GLN 27 CO 0.26 -2.58 0.87 0.42 0.01 0.00 0.00 175.29 174.27 2jqi s ILE 28 N 9.35 4.33 -0.03 1.08 -1.09 -1.26 -4.67 121.20 128.90 2jqi s ILE 28 Ca 0.85 1.90 -0.03 0.00 -2.23 0.00 0.00 60.65 61.14 2jqi s ILE 28 Cb -0.20 -4.24 0.01 0.00 -1.58 0.00 0.00 42.46 36.46 2jqi s ILE 28 CO 0.28 0.46 0.06 0.61 -1.23 0.00 0.00 174.94 175.12 2jqi n GLY 29 N 1.78 -5.34 0.09 6.18 0.00 -1.26 -4.91 105.19 101.73 2jqi n GLY 29 Ca -0.02 0.51 -0.03 0.00 0.00 0.00 0.00 46.02 46.47 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 4.28 0.00 0.00 1.61 4.11 -2.01 -3.42 114.58 119.15 2jqi h GLU 30 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.29 2jqi h GLU 30 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2jqi h GLU 30 CO 0.00 0.75 0.00 0.09 0.07 0.00 0.00 179.01 179.93 2jqi n ASN 31 N -3.26 0.00 -4.73 3.06 3.02 -1.26 -5.09 115.26 106.99 2jqi n ASN 31 Ca -0.01 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.13 2jqi n ASN 31 Cb 0.87 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 40.00 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 3.86 -0.13 2.41 -1.09 -1.26 -0.94 121.20 124.06 2jqi s ILE 32 Ca 0.00 1.53 -0.09 0.00 -2.23 0.00 0.00 60.65 59.86 2jqi s ILE 32 Cb 0.00 -3.98 -0.03 0.00 -1.58 0.00 0.00 42.46 36.87 2jqi s ILE 32 CO 0.00 0.22 -0.17 0.52 -1.23 0.00 0.00 174.94 174.28 2jqi n VAL 33 N 2.77 1.27 -3.83 2.92 0.31 0.58 -4.41 118.33 117.94 2jqi n VAL 33 Ca 0.04 0.24 -0.12 0.00 -0.01 0.00 0.00 64.34 64.50 2jqi n VAL 33 Cb 0.46 -2.29 -0.10 0.00 -0.91 0.00 0.00 33.84 30.99 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 -0.93 3.31 -0.21 0.00 3.00 0.35 -1.12 118.95 123.35 2jqi s ARG 35 Ca -0.10 -0.68 -0.21 0.00 -1.00 0.00 0.00 55.73 53.74 2jqi s ARG 35 Cb -0.05 -2.85 -0.02 0.00 0.00 0.00 0.00 34.95 32.02 2jqi s ARG 35 CO 0.02 -0.12 0.65 0.08 0.00 0.00 0.00 175.30 175.93 2jqi s VAL 36 N 1.22 5.00 -0.19 7.11 1.01 -1.00 0.11 120.40 133.66 2jqi s VAL 36 Ca 0.02 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.23 2jqi s VAL 36 Cb -0.14 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.32 2jqi s VAL 36 CO -0.03 0.08 -0.09 -0.63 0.00 0.00 0.00 175.10 174.43 2jqi s ILE 37 N 2.06 1.48 -0.29 2.22 1.01 0.25 -2.24 121.20 125.69 2jqi s ILE 37 Ca 0.29 -0.90 -0.18 0.00 0.00 0.00 0.00 60.65 59.86 2jqi s ILE 37 Cb -0.16 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 2jqi s ILE 37 CO 0.10 0.15 0.51 0.00 0.00 0.00 0.00 174.94 175.70 2jqi n THR 39 N 5.24 0.00 1.71 0.00 5.66 -1.26 -4.48 114.28 121.16 2jqi n THR 39 Ca -0.04 -0.27 0.15 0.00 -3.05 0.00 0.00 64.05 60.84 2jqi n THR 39 Cb 0.50 0.83 0.82 0.00 -1.55 0.00 0.00 70.33 70.93 2jqi n THR 39 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2jqi n THR 40 N -1.36 0.00 -1.04 1.09 -2.24 -1.26 -4.95 114.28 104.52 2jqi n THR 40 Ca 0.01 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2jqi n THR 40 Cb 0.16 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 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 1.14 -1.24 1.50 3.38 0.00 -1.26 -4.96 105.19 103.75 2jqi n GLY 41 Ca 0.19 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2jqi n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jqi n GLN 42 N -0.16 0.00 -4.31 1.61 10.64 -1.26 -5.05 117.38 118.85 2jqi n GLN 42 Ca 0.00 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 54.99 2jqi n GLN 42 Cb 0.00 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.24 2jqi n GLN 42 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 2jqi s ILE 43 N -1.95 0.76 0.40 -0.39 1.01 -1.26 -4.88 121.20 114.88 2jqi s ILE 43 Ca 0.00 -0.59 -0.24 0.00 0.00 0.00 0.00 60.65 59.82 2jqi s ILE 43 Cb 0.00 -0.67 -0.09 0.00 0.01 0.00 0.00 42.46 41.71 2jqi s ILE 43 CO 0.00 0.08 1.04 -2.16 0.00 0.00 0.00 174.94 173.90 2jqi s PRO 44 N -0.58 4.18 0.61 2.79 0.04 -1.26 -4.04 135.00 136.75 2jqi s PRO 44 Ca 0.01 1.48 -0.18 0.00 0.04 0.00 0.00 61.00 62.36 2jqi s PRO 44 Cb -0.05 -2.53 -0.07 0.00 0.04 0.00 0.00 34.50 31.89 2jqi s PRO 44 CO 0.00 -0.12 0.60 -0.89 0.04 0.00 0.00 177.00 176.63 2jqi n ILE 45 N -0.08 2.43 -3.72 0.56 5.41 -1.26 -4.81 119.36 117.88 2jqi n ILE 45 Ca 0.05 -0.48 -0.10 0.00 1.00 0.00 0.00 62.75 63.22 2jqi n ILE 45 Cb 0.50 -0.77 -0.06 0.00 -0.71 0.00 0.00 39.64 38.59 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 -2.36 0.93 -0.14 0.38 3.52 -0.95 -5.06 118.95 115.27 2jqi s ARG 46 Ca 0.69 -0.69 0.01 0.00 -0.13 0.00 0.00 55.73 55.62 2jqi s ARG 46 Cb -0.42 0.40 -0.00 0.00 -1.56 0.00 0.00 34.95 33.37 2jqi s ARG 46 CO 0.54 -0.33 -0.17 -0.51 -0.81 0.00 0.00 175.30 174.02 2jqi s ASP 47 N -2.55 3.53 -0.13 -2.12 1.11 -1.26 -2.38 116.67 112.86 2jqi s ASP 47 Ca 0.01 -0.49 -0.07 0.00 0.18 0.00 0.00 52.55 52.17 2jqi s ASP 47 Cb 0.02 -1.53 -0.04 0.00 1.07 0.00 0.00 42.92 42.44 2jqi s ASP 47 CO -0.09 0.10 0.12 -0.76 1.18 0.00 0.00 175.17 175.72 2jqi s LEU 48 N 0.73 4.23 0.07 1.23 1.43 -0.27 -5.02 118.68 121.07 2jqi s LEU 48 Ca -0.07 0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 53.33 2jqi s LEU 48 Cb -0.16 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 2jqi s LEU 48 CO 0.01 0.35 0.13 -0.94 0.23 0.00 0.00 176.35 176.13 2jqi s SER 49 N -0.68 0.21 -0.12 2.29 1.04 -1.26 -0.31 113.70 114.86 2jqi s SER 49 Ca 0.13 -0.69 -0.14 0.00 0.48 0.00 0.00 55.95 55.73 2jqi s SER 49 Cb -0.12 0.29 0.04 0.00 0.10 0.00 0.00 66.02 66.33 2jqi s SER 49 CO 0.03 -0.65 0.38 0.00 0.98 0.00 0.00 173.24 173.97 2jqi s ALA 50 N -3.58 -0.94 0.06 5.32 0.00 -0.11 -4.79 121.76 117.72 2jqi s ALA 50 Ca 0.03 0.97 -0.28 0.00 0.00 0.00 0.00 51.96 52.68 2jqi s ALA 50 Cb 0.04 -0.50 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 2jqi s ALA 50 CO -0.09 -0.20 0.87 -0.51 0.00 0.00 0.00 175.76 175.83 2jqi s ASP 51 N -0.08 7.34 0.13 0.00 1.11 -1.26 -4.67 116.67 119.24 2jqi s ASP 51 Ca -0.02 1.60 -0.16 0.00 0.18 0.00 0.00 52.55 54.15 2jqi s ASP 51 Cb -0.03 -2.53 -0.01 0.00 1.07 0.00 0.00 42.92 41.42 2jqi s ASP 51 CO 0.01 -0.05 1.64 0.40 1.18 0.00 0.00 175.17 178.35 2jqi h ILE 52 N 4.18 1.22 -0.83 0.77 5.03 -1.99 -2.15 117.51 123.75 2jqi h ILE 52 Ca -0.43 -0.75 0.07 0.00 -0.12 0.00 0.00 64.86 63.62 2jqi h ILE 52 Cb 1.21 0.96 -0.06 0.00 -3.03 0.00 0.00 36.82 35.90 2jqi h ILE 52 CO 0.72 0.26 0.50 -1.28 -0.68 0.00 0.00 178.15 177.67 2jqi h SER 53 N 0.49 0.78 -0.19 1.72 0.87 -1.99 0.54 113.55 115.77 2jqi h SER 53 Ca 0.13 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.58 2jqi h SER 53 Cb 0.29 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2jqi h SER 53 CO -0.00 0.49 -0.31 1.56 -0.53 0.00 0.00 176.83 178.04 2jqi h GLN 54 N 0.91 0.69 -0.18 2.24 4.20 -1.95 -1.06 115.11 119.95 2jqi h GLN 54 Ca 0.37 -0.31 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 2jqi h GLN 54 Cb 0.20 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2jqi h GLN 54 CO -0.18 0.91 -0.03 0.28 -0.67 0.00 0.00 178.83 179.13 2jqi h VAL 55 N 0.59 1.28 0.00 -0.54 2.07 -0.61 0.27 116.25 119.31 2jqi h VAL 55 Ca 0.07 -0.98 -0.09 0.00 0.82 0.00 0.00 66.70 66.52 2jqi h VAL 55 Cb 0.81 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 2jqi h VAL 55 CO 0.07 0.29 -0.42 0.25 0.02 0.00 0.00 177.57 177.78 2jqi h LEU 56 N 0.07 0.00 0.03 2.57 5.85 -0.90 -3.05 115.31 119.87 2jqi h LEU 56 Ca 0.05 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.50 2jqi h LEU 56 Cb 0.46 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.52 2jqi h LEU 56 CO 0.02 0.42 -1.08 0.50 -0.34 0.00 0.00 178.44 177.96 2jqi h LYS 57 N 0.00 0.68 -6.61 1.25 3.64 -1.06 -3.44 116.57 111.02 2jqi h LYS 57 Ca -0.00 -0.77 -0.52 0.00 -1.27 0.00 0.00 60.65 58.08 2jqi h LYS 57 Cb 0.77 0.23 0.05 0.00 -0.41 0.00 0.00 32.23 32.87 2jqi h LYS 57 CO 0.06 1.34 0.93 -1.21 -2.27 0.00 0.00 179.45 178.30 2jqi s GLU 58 N -3.23 4.18 -0.05 1.90 2.02 0.07 -4.90 118.70 118.70 2jqi s GLU 58 Ca -0.10 2.44 0.24 0.00 0.02 0.00 0.00 54.97 57.58 2jqi s GLU 58 Cb 0.06 -3.16 0.44 0.00 0.10 0.00 0.00 34.13 31.57 2jqi s GLU 58 CO 0.92 -0.67 1.17 0.36 0.02 0.00 0.00 175.26 177.07 2jqi n LYS 59 N 4.09 0.35 -2.39 1.61 -0.00 -1.26 -4.87 118.16 115.70 2jqi n LYS 59 Ca 0.15 -2.29 -0.22 0.00 -0.00 0.00 0.00 58.31 55.94 2jqi n LYS 59 Cb 0.37 -0.33 0.01 0.00 -0.00 0.00 0.00 35.03 35.09 2jqi n LYS 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2jqi n ARG 60 N 0.23 3.11 -1.48 -1.58 3.00 -1.26 -5.07 116.66 113.61 2jqi n ARG 60 Ca 0.08 -4.20 0.00 0.00 -0.00 0.00 0.00 57.85 53.73 2jqi n ARG 60 Cb 1.07 -2.10 0.00 0.00 0.00 0.00 0.00 32.46 31.43 2jqi n ARG 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2jqi n SER 61 N -0.50 -8.00 -1.31 6.15 3.41 -1.26 -4.98 113.62 107.13 2jqi n SER 61 Ca 0.35 1.13 0.15 0.00 -0.26 0.00 0.00 58.87 60.24 2jqi n SER 61 Cb 0.78 -4.21 -0.07 0.00 -0.26 0.00 0.00 64.21 60.45 2jqi n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jqi n ILE 62 N -0.55 -0.33 0.13 -1.33 0.13 -1.26 -5.01 119.36 111.14 2jqi n ILE 62 Ca 0.00 0.58 0.00 0.00 -1.10 0.00 0.00 62.75 62.23 2jqi n ILE 62 Cb 0.00 -0.99 0.00 0.00 -0.84 0.00 0.00 39.64 37.81 2jqi n ILE 62 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 2jqi n LYS 63 N -4.04 0.00 -3.71 9.51 4.01 -0.60 -4.84 118.16 118.49 2jqi n LYS 63 Ca -0.05 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.63 2jqi n LYS 63 Cb 0.63 -0.06 -0.12 0.00 -0.51 0.00 0.00 35.03 34.97 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 -2.00 0.27 -0.02 1.97 2.20 -1.17 -5.00 119.74 115.99 2jqi s LYS 64 Ca 0.00 0.64 0.05 0.00 -0.36 0.00 0.00 55.97 56.29 2jqi s LYS 64 Cb 0.00 -0.08 -0.01 0.00 -1.51 0.00 0.00 37.83 36.23 2jqi s LYS 64 CO 0.00 -0.17 -0.15 0.08 -0.36 0.00 0.00 175.35 174.75 2jqi s VAL 65 N 1.39 1.23 -0.12 4.02 1.01 -1.26 0.20 120.40 126.87 2jqi s VAL 65 Ca -0.09 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 2jqi s VAL 65 Cb -0.10 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2jqi s VAL 65 CO -0.10 0.35 0.12 0.26 0.00 0.00 0.00 175.10 175.73 2jqi s TRP 66 N -0.28 3.53 -0.14 5.22 0.51 0.51 -4.89 118.94 123.41 2jqi s TRP 66 Ca 0.04 0.47 -0.02 0.00 -2.12 0.00 0.00 56.10 54.48 2jqi s TRP 66 Cb -0.07 -1.94 -0.02 0.00 -0.81 0.00 0.00 33.47 30.63 2jqi s TRP 66 CO -0.00 0.67 -0.09 0.99 -0.51 0.00 0.00 176.95 178.01 2jqi s THR 67 N -0.91 3.45 0.06 2.01 2.01 -1.26 0.14 115.64 121.14 2jqi s THR 67 Ca 0.14 -0.52 0.09 0.00 0.31 0.00 0.00 61.69 61.71 2jqi s THR 67 Cb -0.12 -2.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 2jqi s THR 67 CO 0.03 0.51 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.86 2jqi s PHE 68 N 0.33 2.36 -4.64 4.92 0.40 0.53 0.20 117.98 122.09 2jqi s PHE 68 Ca -0.08 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 2jqi s PHE 68 Cb -0.15 -1.38 0.00 0.00 0.51 0.00 0.00 43.02 42.00 2jqi s PHE 68 CO 0.04 0.18 0.00 0.41 0.70 0.00 0.00 175.22 176.56 2jqi n GLY 69 N 1.60 -1.44 0.00 4.36 0.00 -0.65 0.14 105.19 109.19 2jqi n GLY 69 Ca -0.17 -1.20 0.11 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.04 1.00 -2.98 1.61 1.74 0.94 -2.44 116.66 116.48 2jqi n ARG 70 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 2jqi n ARG 70 Cb 0.00 -1.36 -0.05 0.00 -1.02 0.00 0.00 32.46 30.04 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 -1.71 7.16 0.27 0.55 2.47 -0.49 -4.69 114.94 118.49 2jqi s ASN 71 Ca 0.34 1.39 0.22 0.00 0.42 0.00 0.00 52.86 55.23 2jqi s ASN 71 Cb 0.16 -2.46 1.03 0.00 -1.45 0.00 0.00 41.25 38.52 2jqi s ASN 71 CO 0.26 -0.04 1.67 -2.65 -3.72 0.00 0.00 177.10 172.62 2jqi n PRO 72 N 3.15 0.17 0.06 0.43 -0.02 -1.26 -1.85 135.00 135.68 2jqi n PRO 72 Ca -0.02 0.50 -0.22 0.00 -2.02 0.00 0.00 63.50 61.75 2jqi n PRO 72 Cb 0.51 -1.89 -0.15 0.00 -0.02 0.00 0.00 33.50 31.95 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 2.16 0.01 -1.33 3.55 0.00 -1.94 -3.47 119.26 118.25 2jqi h ALA 73 Ca 0.00 -0.91 -0.65 0.00 0.00 0.00 0.00 54.91 53.35 2jqi h ALA 73 Cb 0.21 0.28 0.11 0.00 0.00 0.00 0.00 17.79 18.40 2jqi h ALA 73 CO 0.00 0.67 -0.29 0.00 0.00 0.00 0.00 179.25 179.63 2jqi h ASP 75 N 1.39 0.00 -3.27 0.00 3.32 0.20 -3.38 116.42 114.68 2jqi h ASP 75 Ca -0.32 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.20 2jqi h ASP 75 Cb 1.41 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.60 2jqi h ASP 75 CO 0.58 0.00 -0.81 -0.47 -1.72 0.00 0.00 179.24 176.83 2jqi s TYR 76 N -3.89 1.49 -0.29 4.55 5.04 0.01 -4.92 117.35 119.34 2jqi s TYR 76 Ca -0.03 -0.68 -0.08 0.00 -2.44 0.00 0.00 57.07 53.83 2jqi s TYR 76 Cb 0.09 -1.18 -0.01 0.00 0.35 0.00 0.00 41.96 41.21 2jqi s TYR 76 CO 0.28 -0.43 0.12 -1.58 -1.34 0.00 0.00 175.55 172.60 2jqi s HIS 77 N 1.29 3.15 -0.00 4.97 2.46 -1.26 -1.64 115.29 124.26 2jqi s HIS 77 Ca -0.03 -0.60 -0.00 0.00 0.47 0.00 0.00 55.06 54.90 2jqi s HIS 77 Cb -0.14 -2.30 -0.00 0.00 -0.13 0.00 0.00 32.58 30.01 2jqi s HIS 77 CO -0.04 -0.45 -0.00 1.28 -2.47 0.00 0.00 174.74 173.06 2jqi n LEU 78 N 4.95 0.02 0.00 8.88 4.77 -1.02 -4.84 117.00 129.75 2jqi n LEU 78 Ca -0.15 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 2jqi n LEU 78 Cb 0.50 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2jqi n LEU 78 CO 0.33 -0.50 0.00 0.61 -1.33 0.00 0.00 177.39 176.50 2jqi n GLY 79 N 1.52 -1.91 0.00 -0.72 0.00 -1.26 -4.86 105.19 97.96 2jqi n GLY 79 Ca -0.00 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.77 2jqi n GLY 79 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jqi n ASN 80 N 0.00 0.00 -4.68 1.61 0.23 -1.26 -4.77 115.26 106.39 2jqi n ASN 80 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.63 2jqi n ASN 80 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 2jqi n ASN 80 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2jqi s ILE 81 N 0.00 4.82 0.27 1.53 -1.09 -1.26 -4.94 121.20 120.53 2jqi s ILE 81 Ca 0.00 1.89 -0.00 0.00 -2.23 0.00 0.00 60.65 60.30 2jqi s ILE 81 Cb 0.00 -4.25 0.27 0.00 -1.58 0.00 0.00 42.46 36.90 2jqi s ILE 81 CO 0.00 0.01 1.84 0.28 -1.23 0.00 0.00 174.94 175.84 2jqi h SER 82 N 7.18 0.89 0.13 3.58 0.02 -2.00 0.19 113.55 123.54 2jqi h SER 82 Ca -0.30 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.67 2jqi h SER 82 Cb 1.14 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.54 2jqi h SER 82 CO 0.85 0.49 -0.10 0.03 -1.14 0.00 0.00 176.83 176.96 2jqi h ARG 83 N 0.97 0.00 -6.14 3.45 2.47 -1.92 -3.42 114.38 109.79 2jqi h ARG 83 Ca 0.47 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.63 2jqi h ARG 83 Cb 0.42 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.71 2jqi h ARG 83 CO -0.25 0.10 -0.38 -0.51 0.56 0.00 0.00 179.97 179.49 2jqi s LEU 84 N -8.47 4.27 0.44 3.04 1.02 0.06 -4.40 118.68 114.64 2jqi s LEU 84 Ca -0.04 0.37 0.04 0.00 0.02 0.00 0.00 54.13 54.51 2jqi s LEU 84 Cb 0.16 -3.11 0.01 0.00 0.02 0.00 0.00 46.19 43.26 2jqi s LEU 84 CO 0.66 0.02 0.63 -0.94 0.02 0.00 0.00 176.35 176.73 2jqi s SER 85 N -2.98 5.68 0.19 2.29 1.04 -1.26 -4.69 113.70 113.97 2jqi s SER 85 Ca 0.38 -0.07 -0.22 0.00 0.48 0.00 0.00 55.95 56.52 2jqi s SER 85 Cb -0.11 -1.09 0.12 0.00 0.10 0.00 0.00 66.02 65.03 2jqi s SER 85 CO 0.28 -0.76 1.57 0.78 0.98 0.00 0.00 173.24 176.09 2jqi h ASN 86 N 0.49 -1.34 -3.49 7.02 2.35 -1.93 -2.73 115.58 115.95 2jqi h ASN 86 Ca -0.44 0.25 -0.66 0.00 -0.55 0.00 0.00 56.30 54.91 2jqi h ASN 86 Cb 1.27 0.65 -0.39 0.00 0.05 0.00 0.00 38.32 39.90 2jqi h ASN 86 CO 0.52 -0.31 -0.42 -0.54 -1.65 0.00 0.00 177.43 175.04 2jqi s LYS 87 N -5.93 2.65 0.15 0.81 1.02 -1.26 -0.04 119.74 117.14 2jqi s LYS 87 Ca -0.14 -3.13 -0.17 0.00 0.02 0.00 0.00 55.97 52.55 2jqi s LYS 87 Cb 0.16 -3.60 0.01 0.00 -0.52 0.00 0.00 37.83 33.88 2jqi s LYS 87 CO 0.69 -1.24 1.80 1.25 -0.92 0.00 0.00 175.35 176.93 2jqi h HIS 88 N 5.92 0.44 -3.91 3.18 2.76 0.15 -3.35 115.15 120.34 2jqi h HIS 88 Ca 0.10 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.17 2jqi h HIS 88 Cb 0.81 -0.14 -0.16 0.00 1.55 0.00 0.00 27.41 29.47 2jqi h HIS 88 CO 0.68 0.27 -0.51 -0.59 -1.30 0.00 0.00 177.93 176.47 2jqi s PHE 89 N -6.16 0.26 0.00 5.26 -0.71 -0.45 0.15 117.98 116.33 2jqi s PHE 89 Ca -0.13 -0.66 0.02 0.00 -1.04 0.00 0.00 56.93 55.11 2jqi s PHE 89 Cb 0.11 -0.17 -0.01 0.00 -1.21 0.00 0.00 43.02 41.74 2jqi s PHE 89 CO 0.72 -0.43 -0.06 -1.14 -1.34 0.00 0.00 175.22 172.97 2jqi s GLN 90 N -3.33 0.47 -0.14 1.99 0.74 0.33 0.20 119.66 119.90 2jqi s GLN 90 Ca 0.01 -0.28 0.01 0.00 0.05 0.00 0.00 55.36 55.15 2jqi s GLN 90 Cb 0.03 -0.42 -0.00 0.00 1.10 0.00 0.00 33.01 33.71 2jqi s GLN 90 CO -0.08 0.11 -0.16 0.42 -0.55 0.00 0.00 175.29 175.03 2jqi s ILE 91 N -0.30 2.67 0.07 -2.34 1.01 0.38 0.21 121.20 122.89 2jqi s ILE 91 Ca 0.01 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.90 2jqi s ILE 91 Cb -0.03 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 2jqi s ILE 91 CO -0.00 0.52 0.07 -0.76 0.00 0.00 0.00 174.94 174.77 2jqi s LEU 92 N 0.68 3.79 -0.16 2.97 1.02 0.96 0.19 118.68 128.14 2jqi s LEU 92 Ca -0.08 0.01 0.02 0.00 0.02 0.00 0.00 54.13 54.09 2jqi s LEU 92 Cb -0.16 -2.44 0.01 0.00 0.02 0.00 0.00 46.19 43.63 2jqi s LEU 92 CO 0.02 0.19 -0.20 -0.22 0.02 0.00 0.00 176.35 176.16 2jqi s LEU 93 N -2.28 2.17 0.00 1.79 0.20 0.13 -0.69 118.68 120.01 2jqi s LEU 93 Ca 0.28 -0.60 0.00 0.00 0.69 0.00 0.00 54.13 54.50 2jqi s LEU 93 Cb -0.12 -1.48 0.00 0.00 -0.43 0.00 0.00 46.19 44.16 2jqi s LEU 93 CO 0.21 0.05 0.00 0.61 -0.29 0.00 0.00 176.35 176.92 2jqi n GLY 94 N 4.31 4.87 3.37 7.98 0.00 -1.25 -1.56 105.19 122.91 2jqi n GLY 94 Ca -0.20 -2.13 -0.29 0.00 0.00 0.00 0.00 46.02 43.40 2jqi n GLY 94 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2jqi n GLU 95 N -0.13 -3.26 -0.16 1.61 0.00 -1.26 -4.74 120.64 112.69 2jqi n GLU 95 Ca 0.00 -0.94 0.02 0.00 0.00 0.00 0.00 57.16 56.24 2jqi n GLU 95 Cb 0.00 -2.06 -0.01 0.00 0.00 0.00 0.00 31.44 29.38 2jqi n GLU 95 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2jqi n ASP 96 N -5.06 -5.61 -1.82 -1.84 8.00 -1.26 -3.81 116.55 105.15 2jqi n ASP 96 Ca 0.05 0.18 -0.10 0.00 0.71 0.00 0.00 54.79 55.63 2jqi n ASP 96 Cb 0.56 -0.50 0.20 0.00 -0.02 0.00 0.00 41.12 41.36 2jqi n ASP 96 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jqi n GLY 97 N -0.49 3.47 3.67 0.44 0.00 -1.26 -4.91 105.19 106.12 2jqi n GLY 97 Ca 0.00 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.71 5.45 0.26 1.61 0.01 -1.25 -4.89 114.94 115.42 2jqi s ASN 98 Ca 0.43 0.13 0.08 0.00 -0.71 0.00 0.00 52.86 52.79 2jqi s ASN 98 Cb 0.35 -1.75 -0.04 0.00 0.41 0.00 0.00 41.25 40.23 2jqi s ASN 98 CO 0.10 0.29 0.15 -0.76 -1.51 0.00 0.00 177.10 175.36 2jqi s LEU 99 N -0.33 3.64 0.02 0.60 1.02 -1.26 -3.93 118.68 118.44 2jqi s LEU 99 Ca 0.08 -0.36 0.06 0.00 0.02 0.00 0.00 54.13 53.92 2jqi s LEU 99 Cb -0.12 -2.17 -0.02 0.00 0.02 0.00 0.00 46.19 43.90 2jqi s LEU 99 CO 0.02 -0.04 -0.18 -0.76 0.02 0.00 0.00 176.35 175.42 2jqi s LEU 100 N -3.80 2.10 -0.20 1.79 1.43 0.13 -1.47 118.68 118.66 2jqi s LEU 100 Ca 0.33 -0.41 -0.03 0.00 -1.03 0.00 0.00 54.13 52.99 2jqi s LEU 100 Cb -0.07 -0.86 -0.01 0.00 0.03 0.00 0.00 46.19 45.28 2jqi s LEU 100 CO 0.24 0.16 -0.07 -1.48 0.23 0.00 0.00 176.35 175.43 2jqi s LEU 101 N -0.79 2.82 -0.26 1.79 2.34 -0.55 -0.02 118.68 124.00 2jqi s LEU 101 Ca 0.06 -0.40 -0.04 0.00 0.06 0.00 0.00 54.13 53.82 2jqi s LEU 101 Cb -0.08 -1.70 0.01 0.00 -0.56 0.00 0.00 46.19 43.87 2jqi s LEU 101 CO 0.00 0.01 -0.01 0.21 -1.06 0.00 0.00 176.35 175.51 2jqi s ASN 102 N 1.28 4.61 0.02 1.48 2.47 0.55 -2.58 114.94 122.76 2jqi s ASN 102 Ca 0.03 -0.74 -0.30 0.00 0.42 0.00 0.00 52.86 52.27 2jqi s ASN 102 Cb -0.14 -1.75 -0.04 0.00 -1.45 0.00 0.00 41.25 37.86 2jqi s ASN 102 CO -0.03 -0.13 1.12 1.51 -3.72 0.00 0.00 177.10 175.85 2jqi s ASP 103 N 1.41 7.18 -0.23 -4.21 1.47 -1.25 0.12 116.67 121.15 2jqi s ASP 103 Ca 0.02 1.86 0.22 0.00 1.18 0.00 0.00 52.55 55.82 2jqi s ASP 103 Cb -0.16 -2.57 0.50 0.00 -0.34 0.00 0.00 42.92 40.34 2jqi s ASP 103 CO -0.02 -0.42 1.12 2.30 0.68 0.00 0.00 175.17 178.84 2jqi n ILE 104 N 4.03 1.26 -3.88 2.11 -5.35 -0.70 0.21 119.36 117.04 2jqi n ILE 104 Ca 0.08 -2.84 -0.28 0.00 -0.27 0.00 0.00 62.75 59.44 2jqi n ILE 104 Cb 0.48 1.04 -0.03 0.00 -1.74 0.00 0.00 39.64 39.38 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 -3.59 6.36 0.31 7.28 0.01 0.39 -4.19 113.70 120.28 2jqi s SER 105 Ca 0.30 0.27 0.08 0.00 1.31 0.00 0.00 55.95 57.91 2jqi s SER 105 Cb 0.34 -1.95 0.51 0.00 0.21 0.00 0.00 66.02 65.13 2jqi s SER 105 CO -0.05 0.07 1.73 0.74 0.41 0.00 0.00 173.24 176.14 2jqi h THR 106 N 1.79 1.31 0.00 1.44 2.02 -1.88 -3.17 112.91 114.43 2jqi h THR 106 Ca -0.47 -1.51 0.00 0.00 0.77 0.00 0.00 66.41 65.20 2jqi h THR 106 Cb 1.18 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 2jqi h THR 106 CO 0.71 0.44 -1.81 0.59 0.37 0.00 0.00 175.52 175.82 2jqi n ASN 107 N -4.03 0.16 0.00 4.18 3.02 -1.26 -5.09 115.26 112.24 2jqi n ASN 107 Ca -0.02 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2jqi n ASN 107 Cb 0.47 1.72 0.00 0.00 -0.61 0.00 0.00 39.78 41.36 2jqi n ASN 107 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jqi n GLY 108 N 1.25 3.22 3.36 7.41 0.00 -1.20 -4.88 105.19 114.35 2jqi n GLY 108 Ca -0.03 -1.89 -0.32 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.61 2.50 0.09 2.61 2.01 -1.26 -4.44 115.64 114.54 2jqi s THR 109 Ca 0.00 -0.92 0.09 0.00 0.31 0.00 0.00 61.69 61.17 2jqi s THR 109 Cb 0.00 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 2jqi s THR 109 CO 0.00 0.58 -0.22 0.26 -0.69 0.00 0.00 174.62 174.55 2jqi s TRP 110 N -0.43 2.45 -0.21 4.92 0.51 0.21 -2.86 118.94 123.53 2jqi s TRP 110 Ca 0.05 -0.31 0.01 0.00 -2.12 0.00 0.00 56.10 53.72 2jqi s TRP 110 Cb -0.12 -1.35 0.05 0.00 -0.81 0.00 0.00 33.47 31.24 2jqi s TRP 110 CO 0.01 0.31 -0.09 -0.48 -0.51 0.00 0.00 176.95 176.20 2jqi s LEU 111 N -1.85 2.34 -1.60 2.99 2.34 0.03 0.19 118.68 123.11 2jqi s LEU 111 Ca 0.15 -0.95 -0.14 0.00 0.06 0.00 0.00 54.13 53.25 2jqi s LEU 111 Cb -0.10 -1.21 0.11 0.00 -0.56 0.00 0.00 46.19 44.43 2jqi s LEU 111 CO 0.07 -0.17 0.77 0.59 -1.06 0.00 0.00 176.35 176.55 2jqi n ASN 112 N 4.69 -3.12 0.00 1.48 3.02 -0.92 -0.25 115.26 120.16 2jqi n ASN 112 Ca -0.14 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 2jqi n ASN 112 Cb 0.46 -3.12 0.00 0.00 -0.61 0.00 0.00 39.78 36.51 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 -1.58 1.69 3.43 7.41 0.00 -1.26 -5.01 105.19 109.86 2jqi n GLY 113 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.27 3.54 0.01 1.61 -0.21 0.66 -5.07 119.66 119.93 2jqi s GLN 114 Ca 0.00 -0.56 -0.30 0.00 0.02 0.00 0.00 55.36 54.52 2jqi s GLN 114 Cb 0.00 -3.35 -0.05 0.00 1.00 0.00 0.00 33.01 30.61 2jqi s GLN 114 CO 0.00 -0.25 1.25 0.21 -2.12 0.00 0.00 175.29 174.38 2jqi s LYS 115 N 1.60 4.37 0.35 2.91 2.47 -1.26 -0.79 119.74 129.38 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 -3.47 -0.01 0.00 -1.46 0.00 0.00 37.83 32.74 2jqi s LYS 115 CO 0.04 -0.40 0.46 0.14 0.16 0.00 0.00 175.35 175.75 2jqi s VAL 116 N 1.76 3.77 -0.01 4.02 -7.23 -1.14 -4.97 120.40 116.60 2jqi s VAL 116 Ca 0.59 -1.06 -0.30 0.00 -1.81 0.00 0.00 61.98 59.40 2jqi s VAL 116 Cb -0.28 -3.30 -0.05 0.00 0.56 0.00 0.00 36.38 33.31 2jqi s VAL 116 CO 0.26 -0.13 1.46 -0.70 -0.31 0.00 0.00 175.10 175.68 2jqi s GLU 117 N -4.18 4.25 1.04 4.82 2.12 -1.26 -4.70 118.70 120.79 2jqi s GLU 117 Ca 0.46 2.02 -0.16 0.00 0.36 0.00 0.00 54.97 57.65 2jqi s GLU 117 Cb -0.09 -3.66 0.05 0.00 0.26 0.00 0.00 34.13 30.70 2jqi s GLU 117 CO 0.31 -0.65 0.09 1.17 -0.54 0.00 0.00 175.26 175.64 2jqi n LYS 118 N 5.79 -0.90 -2.58 4.30 4.81 -1.26 -2.22 118.16 126.09 2jqi n LYS 118 Ca 0.14 -0.24 -0.13 0.00 -0.87 0.00 0.00 58.31 57.21 2jqi n LYS 118 Cb 0.43 -1.72 -0.02 0.00 0.02 0.00 0.00 35.03 33.74 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 -1.13 -0.89 -4.56 3.14 0.23 0.58 -4.86 115.26 107.77 2jqi n ASN 119 Ca 0.03 -0.21 -0.31 0.00 -0.53 0.00 0.00 54.58 53.56 2jqi n ASN 119 Cb 0.59 -0.82 -0.11 0.00 -2.08 0.00 0.00 39.78 37.35 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 -1.83 4.38 -0.12 0.53 0.15 -0.94 -4.91 113.70 110.95 2jqi s SER 120 Ca 0.26 -0.25 -0.19 0.00 0.70 0.00 0.00 55.95 56.47 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 0.52 0.20 1.20 0.00 0.00 173.24 175.73 2jqi s ASN 121 N -1.53 6.73 0.09 5.45 -0.87 -1.26 -3.81 114.94 119.74 2jqi s ASN 121 Ca 0.17 0.87 0.06 0.00 -1.57 0.00 0.00 52.86 52.39 2jqi s ASN 121 Cb -0.11 -2.31 -0.03 0.00 -0.02 0.00 0.00 41.25 38.78 2jqi s ASN 121 CO 0.08 -0.04 -0.16 -1.10 -2.57 0.00 0.00 177.10 173.31 2jqi s GLN 122 N 0.75 0.93 0.17 -0.60 -1.52 -1.07 -4.93 119.66 113.39 2jqi s GLN 122 Ca 0.28 -1.06 -0.30 0.00 -1.95 0.00 0.00 55.36 52.33 2jqi s GLN 122 Cb -0.16 -0.97 -0.08 0.00 -0.22 0.00 0.00 33.01 31.59 2jqi s GLN 122 CO 0.11 0.21 1.21 -1.17 -0.25 0.00 0.00 175.29 175.41 2jqi s LEU 123 N -1.92 4.44 0.74 2.90 2.96 -1.26 -1.48 118.68 125.06 2jqi s LEU 123 Ca 0.02 2.22 -0.13 0.00 -0.22 0.00 0.00 54.13 56.02 2jqi s LEU 123 Cb -0.09 -3.60 0.05 0.00 0.50 0.00 0.00 46.19 43.04 2jqi s LEU 123 CO 0.03 -0.40 1.14 -0.22 -1.32 0.00 0.00 176.35 175.58 2jqi s LEU 124 N -0.03 3.21 0.15 -0.68 2.96 -0.54 -4.86 118.68 118.90 2jqi s LEU 124 Ca 0.54 2.12 0.09 0.00 -0.22 0.00 0.00 54.13 56.66 2jqi s LEU 124 Cb -0.33 -4.56 -0.04 0.00 0.50 0.00 0.00 46.19 41.76 2jqi s LEU 124 CO 0.36 -2.15 -0.20 -0.44 -1.32 0.00 0.00 176.35 172.60 2jqi s SER 125 N -2.56 2.74 -0.15 3.68 0.01 -1.26 -4.94 113.70 111.22 2jqi s SER 125 Ca 0.68 -0.81 -0.29 0.00 1.31 0.00 0.00 55.95 56.84 2jqi s SER 125 Cb -0.23 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 65.81 2jqi s SER 125 CO 0.48 0.01 1.47 -1.58 0.41 0.00 0.00 173.24 174.03 2jqi s GLN 126 N -2.53 4.10 -1.94 12.44 2.00 -1.26 -2.45 119.66 130.03 2jqi s GLN 126 Ca 0.14 1.81 0.00 0.00 -2.00 0.00 0.00 55.36 55.31 2jqi s GLN 126 Cb -0.07 -3.90 0.00 0.00 0.80 0.00 0.00 33.01 29.83 2jqi s GLN 126 CO 0.06 -0.91 0.00 0.41 -0.50 0.00 0.00 175.29 174.36 2jqi n GLY 127 N 4.06 1.04 3.20 2.59 0.00 -1.13 -4.95 105.19 110.00 2jqi n GLY 127 Ca 0.16 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.38 -2.59 -3.78 1.61 2.03 -0.98 -4.45 116.55 107.01 2jqi n ASP 128 Ca -0.21 -0.20 -0.13 0.00 0.52 0.00 0.00 54.79 54.77 2jqi n ASP 128 Cb 0.66 -0.88 -0.13 0.00 -0.72 0.00 0.00 41.12 40.04 2jqi n ASP 128 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2jqi s GLU 129 N -3.39 0.17 -0.17 -0.67 2.02 -1.26 0.53 118.70 115.94 2jqi s GLU 129 Ca 0.51 0.32 -0.01 0.00 0.02 0.00 0.00 54.97 55.81 2jqi s GLU 129 Cb -0.09 -0.02 -0.01 0.00 0.10 0.00 0.00 34.13 34.12 2jqi s GLU 129 CO 0.59 -0.09 -0.11 0.42 0.02 0.00 0.00 175.26 176.09 2jqi s ILE 130 N 0.58 3.00 -0.09 -1.63 1.01 0.46 -2.16 121.20 122.37 2jqi s ILE 130 Ca -0.04 -0.65 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 2jqi s ILE 130 Cb -0.06 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 2jqi s ILE 130 CO -0.03 0.49 0.05 -0.89 0.00 0.00 0.00 174.94 174.56 2jqi s THR 131 N 0.88 4.72 0.05 2.92 2.01 0.49 0.57 115.64 127.28 2jqi s THR 131 Ca -0.03 -0.12 -0.01 0.00 0.31 0.00 0.00 61.69 61.84 2jqi s THR 131 Cb -0.15 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 2jqi s THR 131 CO -0.00 0.59 -0.02 0.68 -0.69 0.00 0.00 174.62 175.18 2jqi s VAL 132 N -0.95 0.20 0.00 3.82 -7.23 0.11 0.67 120.40 117.02 2jqi s VAL 132 Ca 0.15 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 2jqi s VAL 132 Cb -0.12 -1.32 0.00 0.00 0.56 0.00 0.00 36.38 35.50 2jqi s VAL 132 CO 0.04 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.53 2jqi n GLY 133 N 0.33 0.87 3.76 2.32 0.00 -1.26 0.74 105.19 111.96 2jqi n GLY 133 Ca -0.16 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 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 3.15 0.00 1.61 1.01 -1.26 -3.28 120.40 119.62 2jqi s VAL 134 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.12 2jqi s VAL 134 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2jqi s VAL 134 CO 0.00 0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.97 2jqi n GLY 135 N 0.98 3.73 3.02 4.51 0.00 -1.26 -5.00 105.19 111.18 2jqi n GLY 135 Ca -0.00 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 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 1.37 0.51 1.61 1.01 -1.26 -5.01 120.40 118.63 2jqi s VAL 136 Ca 0.00 -0.55 0.30 0.00 0.00 0.00 0.00 61.98 61.72 2jqi s VAL 136 Cb 0.00 -1.27 0.48 0.00 0.00 0.00 0.00 36.38 35.59 2jqi s VAL 136 CO 0.00 0.42 1.86 -0.08 0.00 0.00 0.00 175.10 177.30 2jqi h GLU 137 N 7.55 0.07 -0.33 2.72 4.22 -1.98 0.55 114.58 127.38 2jqi h GLU 137 Ca -0.32 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.12 2jqi h GLU 137 Cb 1.16 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2jqi h GLU 137 CO 0.48 0.05 0.00 0.45 -2.18 0.00 0.00 179.01 177.81 2jqi n SER 138 N -4.31 2.45 -0.55 1.04 2.88 -1.26 -4.17 113.62 109.70 2jqi n SER 138 Ca 0.20 -1.88 0.06 0.00 -1.33 0.00 0.00 58.87 55.92 2jqi n SER 138 Cb 0.98 -0.22 0.13 0.00 -0.75 0.00 0.00 64.21 64.35 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 1.60 -4.67 -3.46 8.00 0.19 -5.03 116.55 114.02 2jqi n ASP 139 Ca 0.17 -3.11 -0.35 0.00 0.71 0.00 0.00 54.79 52.21 2jqi n ASP 139 Cb 0.43 -0.42 -0.10 0.00 -0.02 0.00 0.00 41.12 41.01 2jqi n ASP 139 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jqi s ILE 140 N -2.23 4.28 -0.05 0.53 1.01 -1.19 -4.21 121.20 119.35 2jqi s ILE 140 Ca 0.31 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.75 2jqi s ILE 140 Cb 0.30 -2.81 -0.00 0.00 0.01 0.00 0.00 42.46 39.96 2jqi s ILE 140 CO -0.04 0.59 -0.19 -0.76 0.00 0.00 0.00 174.94 174.54 2jqi s LEU 141 N -0.75 1.94 -0.15 2.97 1.02 0.23 -4.95 118.68 118.98 2jqi s LEU 141 Ca 0.12 -0.40 -0.05 0.00 0.02 0.00 0.00 54.13 53.82 2jqi s LEU 141 Cb -0.12 -1.08 -0.04 0.00 0.02 0.00 0.00 46.19 44.98 2jqi s LEU 141 CO 0.02 0.17 0.03 -0.44 0.02 0.00 0.00 176.35 176.15 2jqi s SER 142 N 0.06 5.38 0.03 2.29 0.01 -1.26 0.08 113.70 120.28 2jqi s SER 142 Ca -0.06 0.07 0.08 0.00 1.31 0.00 0.00 55.95 57.35 2jqi s SER 142 Cb -0.13 -1.82 -0.02 0.00 0.21 0.00 0.00 66.02 64.26 2jqi s SER 142 CO 0.03 0.23 -0.22 -0.76 0.41 0.00 0.00 173.24 172.93 2jqi s LEU 143 N 0.01 2.13 -0.11 2.44 1.02 0.19 -4.12 118.68 120.26 2jqi s LEU 143 Ca 0.04 -0.50 0.01 0.00 0.02 0.00 0.00 54.13 53.70 2jqi s LEU 143 Cb -0.13 -1.08 -0.02 0.00 0.02 0.00 0.00 46.19 44.98 2jqi s LEU 143 CO 0.01 0.21 -0.14 -0.69 0.02 0.00 0.00 176.35 175.76 2jqi s VAL 144 N -0.73 3.00 -0.24 -1.59 1.01 -0.21 0.17 120.40 121.82 2jqi s VAL 144 Ca 0.09 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 2jqi s VAL 144 Cb -0.09 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 2jqi s VAL 144 CO 0.01 0.54 0.06 -0.63 0.00 0.00 0.00 175.10 175.09 2jqi s ILE 145 N 0.05 4.27 -0.06 2.22 -1.09 0.19 0.85 121.20 127.63 2jqi s ILE 145 Ca -0.05 -0.19 -0.02 0.00 -2.23 0.00 0.00 60.65 58.16 2jqi s ILE 145 Cb -0.15 -2.99 -0.04 0.00 -1.58 0.00 0.00 42.46 37.71 2jqi s ILE 145 CO 0.04 0.36 0.06 0.12 -1.23 0.00 0.00 174.94 174.29 2jqi s PHE 146 N 1.49 3.31 -0.12 3.97 2.19 0.31 -2.31 117.98 126.82 2jqi s PHE 146 Ca 0.06 0.27 -0.01 0.00 0.33 0.00 0.00 56.93 57.58 2jqi s PHE 146 Cb -0.15 -1.80 -0.03 0.00 -1.31 0.00 0.00 43.02 39.73 2jqi s PHE 146 CO 0.03 0.56 -0.07 0.42 1.83 0.00 0.00 175.22 178.00 2jqi s ILE 147 N -1.04 3.67 0.01 3.12 1.09 -1.26 0.13 121.20 126.92 2jqi s ILE 147 Ca 0.18 -0.46 -0.27 0.00 -1.10 0.00 0.00 60.65 58.99 2jqi s ILE 147 Cb -0.12 -2.55 -0.04 0.00 -1.06 0.00 0.00 42.46 38.69 2jqi s ILE 147 CO 0.07 0.54 0.87 0.21 -0.10 0.00 0.00 174.94 176.53 2jqi s ASN 148 N -0.12 7.26 0.49 3.58 2.47 -1.19 -4.94 114.94 122.49 2jqi s ASN 148 Ca 0.01 1.52 0.28 0.00 0.42 0.00 0.00 52.86 55.10 2jqi s ASN 148 Cb -0.13 -2.51 0.96 0.00 -1.45 0.00 0.00 41.25 38.12 2jqi s ASN 148 CO 0.03 -0.15 1.83 -0.78 -3.72 0.00 0.00 177.10 174.32 2jqi h ASP 149 N 6.41 0.00 -0.62 -4.21 1.82 -1.92 -3.17 116.42 114.73 2jqi h ASP 149 Ca -0.42 0.00 0.04 0.00 -0.39 0.00 0.00 57.03 56.26 2jqi h ASP 149 Cb 1.21 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.18 2jqi h ASP 149 CO 0.74 0.06 0.37 0.50 -1.61 0.00 0.00 179.24 179.30 2jqi h LYS 150 N 0.00 0.69 -0.96 0.28 3.64 -1.92 -1.45 116.57 116.84 2jqi h LYS 150 Ca -0.00 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 2jqi h LYS 150 Cb 0.72 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.33 2jqi h LYS 150 CO 0.01 0.45 0.63 0.35 -2.27 0.00 0.00 179.45 178.62 2jqi h PHE 151 N 0.71 1.17 -0.15 1.91 3.57 -1.76 -1.10 116.94 121.29 2jqi h PHE 151 Ca 0.26 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 2jqi h PHE 151 Cb 0.07 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.42 2jqi h PHE 151 CO -0.06 0.66 0.03 0.87 -2.23 0.00 0.00 178.31 177.58 2jqi h LYS 152 N 1.20 0.25 -0.39 1.11 6.56 -1.49 -1.36 116.57 122.45 2jqi h LYS 152 Ca 0.39 -0.06 0.02 0.00 -1.06 0.00 0.00 60.65 59.93 2jqi h LYS 152 Cb 0.03 -0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 31.64 2jqi h LYS 152 CO -0.13 0.42 0.23 0.37 -2.06 0.00 0.00 179.45 178.27 2jqi h GLN 153 N 0.03 0.45 -0.50 3.15 4.15 -0.91 0.42 115.11 121.91 2jqi h GLN 153 Ca 0.05 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 2jqi h GLN 153 Cb 0.29 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 2jqi h GLN 153 CO 0.00 0.30 0.25 0.00 -1.93 0.00 0.00 178.83 177.45 2jqi h LEU 155 N 0.66 0.94 -1.17 0.00 7.12 -0.93 0.89 115.31 122.82 2jqi h LEU 155 Ca 0.17 -0.39 0.04 0.00 0.13 0.00 0.00 57.88 57.83 2jqi h LEU 155 Cb 0.09 -0.26 -0.05 0.00 -0.53 0.00 0.00 40.66 39.90 2jqi h LEU 155 CO -0.02 1.17 0.57 -0.08 -0.13 0.00 0.00 178.44 179.95 2jqi h GLU 156 N 0.75 1.03 0.07 1.25 4.81 0.06 -2.95 114.58 119.61 2jqi h GLU 156 Ca 0.08 -0.06 -0.35 0.00 -0.13 0.00 0.00 59.36 58.90 2jqi h GLU 156 Cb 0.88 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 2jqi h GLU 156 CO 0.08 0.68 -1.98 0.94 -0.73 0.00 0.00 179.01 178.00 2jqi n GLN 157 N -4.45 0.71 -0.06 1.92 7.27 -0.88 -5.06 117.38 116.82 2jqi n GLN 157 Ca 0.12 0.25 0.01 0.00 0.07 0.00 0.00 57.00 57.44 2jqi n GLN 157 Cb 0.13 -1.70 -0.00 0.00 2.41 0.00 0.00 30.24 31.07 2jqi n GLN 157 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 2jqi n ASN 158 N -3.30 -1.53 -4.59 1.69 0.23 0.31 -4.82 115.26 103.26 2jqi n ASN 158 Ca -0.29 0.06 -0.28 0.00 -0.53 0.00 0.00 54.58 53.54 2jqi n ASN 158 Cb 1.05 -0.23 -0.09 0.00 -2.08 0.00 0.00 39.78 38.43 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 -0.21 2.13 -0.12 -3.83 2.47 -1.26 -5.01 119.74 113.91 2jqi s LYS 159 Ca 0.00 -1.13 -0.12 0.00 -1.56 0.00 0.00 55.97 53.16 2jqi s LYS 159 Cb 0.00 -2.26 -0.05 0.00 -1.46 0.00 0.00 37.83 34.07 2jqi s LYS 159 CO 0.00 0.47 0.26 0.14 0.16 0.00 0.00 175.35 176.38 2jqi s VAL 160 N -1.47 5.32 0.46 4.02 -7.23 -1.26 -5.09 120.40 115.15 2jqi s VAL 160 Ca 0.23 0.47 -0.11 0.00 -1.81 0.00 0.00 61.98 60.77 2jqi s VAL 160 Cb -0.10 -3.56 -0.06 0.00 0.56 0.00 0.00 36.38 33.21 2jqi s VAL 160 CO 0.15 0.50 0.84 -1.81 -0.31 0.00 0.00 175.10 174.47 2jqi s ASP 161 N -0.29 6.48 -0.04 4.85 1.11 -1.26 -5.00 116.67 122.52 2jqi s ASP 161 Ca 0.17 1.22 -0.30 0.00 0.18 0.00 0.00 52.55 53.82 2jqi s ASP 161 Cb -0.13 -2.37 -0.06 0.00 1.07 0.00 0.00 42.92 41.43 2jqi s ASP 161 CO 0.05 -0.51 1.70 -0.13 1.18 0.00 0.00 175.17 177.46 2jqi s ARG 162 N -4.16 4.18 -0.19 8.23 0.52 -1.26 -4.98 118.95 121.28 2jqi s ARG 162 Ca 0.53 2.25 -0.09 0.00 -0.52 0.00 0.00 55.73 57.90 2jqi s ARG 162 Cb -0.10 -3.99 -0.05 0.00 0.52 0.00 0.00 34.95 31.33 2jqi s ARG 162 CO 0.36 -0.85 0.10 0.42 0.02 0.00 0.00 175.30 175.34 2jqi s ILE 163 N 4.03 5.14 0.00 1.52 1.09 -1.26 -5.36 121.20 126.36 2jqi s ILE 163 Ca 0.75 0.09 0.00 0.00 -1.10 0.00 0.00 60.65 60.40 2jqi s ILE 163 Cb -0.35 -3.34 0.00 0.00 -1.06 0.00 0.00 42.46 37.71 2jqi s ILE 163 CO 0.31 0.44 0.26 -1.14 -0.10 0.00 0.00 174.94 174.72