#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 1.35 -0.05 0.00 -2.24 -1.26 -4.29 114.28 107.79 2jqi n THR 15 Ca 0.00 0.15 -0.15 0.00 -2.27 0.00 0.00 64.05 61.79 2jqi n THR 15 Cb 0.00 -2.04 -0.08 0.00 -2.10 0.00 0.00 70.33 66.12 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 -0.66 0.45 -0.65 -0.78 7.50 -2.06 -3.11 115.11 115.80 2jqi h GLN 16 Ca -0.07 -0.31 0.03 0.00 0.50 0.00 0.00 58.65 58.80 2jqi h GLN 16 Cb 0.78 0.05 -0.04 0.00 0.05 0.00 0.00 27.48 28.32 2jqi h GLN 16 CO -0.05 0.92 0.43 0.00 -1.50 0.00 0.00 178.83 178.64 2jqi h ARG 17 N 0.04 0.76 -0.54 1.46 -0.00 -2.00 -1.53 114.38 112.58 2jqi h ARG 17 Ca -0.00 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.98 59.38 2jqi h ARG 17 Cb 0.93 -0.17 -0.02 0.00 0.00 0.00 0.00 29.97 30.70 2jqi h ARG 17 CO 0.07 0.50 0.13 0.35 0.00 0.00 0.00 179.97 181.02 2jqi h PHE 18 N 0.78 0.85 -0.27 3.04 3.04 -1.73 -0.63 116.94 122.02 2jqi h PHE 18 Ca 0.26 -0.08 -0.06 0.00 3.98 0.00 0.00 57.97 62.07 2jqi h PHE 18 Cb 0.06 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.32 2jqi h PHE 18 CO -0.00 0.71 -0.06 1.25 -2.02 0.00 0.00 178.31 178.19 2jqi h LEU 19 N 0.79 0.52 -0.95 0.59 5.85 -1.22 -2.99 115.31 117.90 2jqi h LEU 19 Ca 0.18 -0.36 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 2jqi h LEU 19 Cb 0.29 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2jqi h LEU 19 CO -0.00 0.76 -0.20 0.40 -0.34 0.00 0.00 178.44 179.06 2jqi h ILE 20 N 0.27 1.26 -0.75 4.05 1.08 -1.23 -2.86 117.51 119.33 2jqi h ILE 20 Ca 0.07 -1.20 0.06 0.00 -0.39 0.00 0.00 64.86 63.40 2jqi h ILE 20 Cb 0.53 1.26 -0.06 0.00 -3.07 0.00 0.00 36.82 35.49 2jqi h ILE 20 CO 0.03 0.39 0.44 -0.33 -0.69 0.00 0.00 178.15 177.99 2jqi h GLU 21 N 0.48 0.79 0.00 2.37 4.39 -1.01 0.11 114.58 121.71 2jqi h GLU 21 Ca 0.08 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 2jqi h GLU 21 Cb 0.62 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 2jqi h GLU 21 CO 0.04 0.52 -0.14 -0.22 -1.16 0.00 0.00 179.01 178.06 2jqi h LYS 22 N 0.81 0.00 -0.39 2.33 3.64 -1.37 -2.38 116.57 119.21 2jqi h LYS 22 Ca 0.33 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.75 2jqi h LYS 22 Cb 0.17 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 2jqi h LYS 22 CO -0.17 0.14 0.13 0.35 -2.27 0.00 0.00 179.45 177.63 2jqi h PHE 23 N 0.00 0.24 0.21 1.91 3.04 -0.61 0.20 116.94 121.93 2jqi h PHE 23 Ca -0.00 0.02 -0.30 0.00 3.98 0.00 0.00 57.97 61.67 2jqi h PHE 23 Cb 0.46 -0.05 0.03 0.00 2.56 0.00 0.00 35.95 38.95 2jqi h PHE 23 CO 0.00 0.09 -1.34 1.03 -2.02 0.00 0.00 178.31 176.07 2jqi h SER 24 N 0.29 0.70 0.31 0.41 0.87 -1.48 -3.39 113.55 111.27 2jqi h SER 24 Ca 0.18 -0.93 -0.01 0.00 -1.23 0.00 0.00 61.79 59.80 2jqi h SER 24 Cb 0.16 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2jqi h SER 24 CO -0.18 1.64 -0.17 -0.61 -0.53 0.00 0.00 176.83 176.98 2jqi h GLN 25 N -0.02 -0.43 -6.23 2.24 4.15 -1.29 -3.42 115.11 110.12 2jqi h GLN 25 Ca -0.24 0.03 -0.55 0.00 0.77 0.00 0.00 58.65 58.66 2jqi h GLN 25 Cb 2.00 0.10 -0.04 0.00 0.21 0.00 0.00 27.48 29.75 2jqi h GLN 25 CO 0.22 -0.28 0.20 -1.21 -1.93 0.00 0.00 178.83 175.83 2jqi s GLU 26 N -4.00 4.50 -0.04 1.69 8.01 0.68 -5.02 118.70 124.52 2jqi s GLU 26 Ca -0.07 1.12 -0.30 0.00 0.01 0.00 0.00 54.97 55.73 2jqi s GLU 26 Cb 0.01 -3.43 -0.04 0.00 -4.31 0.00 0.00 34.13 26.35 2jqi s GLU 26 CO 0.20 0.07 1.30 -1.14 0.01 0.00 0.00 175.26 175.71 2jqi s GLN 27 N 0.68 4.31 0.17 1.61 -0.44 -1.26 -4.57 119.66 120.16 2jqi s GLN 27 Ca 0.43 1.81 -0.28 0.00 -2.50 0.00 0.00 55.36 54.83 2jqi s GLN 27 Cb -0.20 -3.58 -0.08 0.00 -1.64 0.00 0.00 33.01 27.51 2jqi s GLN 27 CO 0.23 -0.53 0.86 0.42 0.50 0.00 0.00 175.29 176.77 2jqi s ILE 28 N 2.41 4.33 0.00 -2.34 -1.09 -1.26 -4.30 121.20 118.94 2jqi s ILE 28 Ca 0.60 1.89 0.00 0.00 -2.23 0.00 0.00 60.65 60.91 2jqi s ILE 28 Cb -0.28 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.37 2jqi s ILE 28 CO 0.24 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 175.02 2jqi n GLY 29 N 1.77 0.79 0.26 6.18 0.00 -1.26 -4.99 105.19 107.95 2jqi n GLY 29 Ca -0.03 -0.40 -0.05 0.00 0.00 0.00 0.00 46.02 45.55 2jqi n GLY 29 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jqi h GLU 30 N 0.00 0.87 0.00 1.61 4.81 -2.02 -3.40 114.58 116.44 2jqi h GLU 30 Ca 0.00 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2jqi h GLU 30 Cb 0.77 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 2jqi h GLU 30 CO 0.00 0.57 -0.04 0.09 -0.73 0.00 0.00 179.01 178.90 2jqi n ASN 31 N -4.63 -0.18 -4.73 1.04 4.13 -1.26 -5.11 115.26 104.51 2jqi n ASN 31 Ca 0.06 -0.86 -0.41 0.00 1.68 0.00 0.00 54.58 55.05 2jqi n ASN 31 Cb 0.03 0.08 -0.04 0.00 -1.54 0.00 0.00 39.78 38.30 2jqi n ASN 31 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2jqi s ILE 32 N 0.01 3.97 -0.13 2.41 -1.09 -1.26 -1.28 121.20 123.83 2jqi s ILE 32 Ca 0.01 1.66 -0.09 0.00 -2.23 0.00 0.00 60.65 60.00 2jqi s ILE 32 Cb 0.04 -4.06 -0.03 0.00 -1.58 0.00 0.00 42.46 36.83 2jqi s ILE 32 CO -0.01 0.27 -0.18 0.52 -1.23 0.00 0.00 174.94 174.30 2jqi n VAL 33 N 2.55 1.27 -3.85 2.92 0.31 0.44 -4.51 118.33 117.45 2jqi n VAL 33 Ca 0.03 0.24 -0.12 0.00 -0.01 0.00 0.00 64.34 64.48 2jqi n VAL 33 Cb 0.47 -2.29 -0.11 0.00 -0.91 0.00 0.00 33.84 31.00 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 -0.80 2.68 -0.23 0.00 3.00 0.30 -1.72 118.95 122.17 2jqi s ARG 35 Ca -0.09 -0.69 -0.07 0.00 -1.00 0.00 0.00 55.73 53.88 2jqi s ARG 35 Cb -0.05 -2.44 -0.03 0.00 0.00 0.00 0.00 34.95 32.43 2jqi s ARG 35 CO 0.01 0.55 0.07 0.54 0.00 0.00 0.00 175.30 176.47 2jqi s VAL 36 N -0.53 4.46 -0.13 7.11 0.11 -1.14 0.11 120.40 130.39 2jqi s VAL 36 Ca 0.07 -0.13 -0.00 0.00 -2.93 0.00 0.00 61.98 58.99 2jqi s VAL 36 Cb -0.12 -3.07 0.03 0.00 -1.53 0.00 0.00 36.38 31.70 2jqi s VAL 36 CO 0.01 0.37 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.45 2jqi s ILE 37 N 1.29 1.05 -0.35 7.04 1.01 0.31 -2.49 121.20 129.06 2jqi s ILE 37 Ca 0.05 -0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.01 2jqi s ILE 37 Cb -0.15 -1.12 0.02 0.00 0.01 0.00 0.00 42.46 41.22 2jqi s ILE 37 CO 0.04 0.29 1.09 0.00 0.00 0.00 0.00 174.94 176.35 2jqi h THR 39 N 5.83 0.90 0.00 0.00 1.03 -1.89 -3.24 112.91 115.54 2jqi h THR 39 Ca -0.21 -2.35 0.00 0.00 -0.01 0.00 0.00 66.41 63.84 2jqi h THR 39 Cb 1.06 2.39 0.00 0.00 -1.07 0.00 0.00 68.15 70.53 2jqi h THR 39 CO 1.05 0.51 0.00 0.35 -0.01 0.00 0.00 175.52 177.42 2jqi n THR 40 N -3.16 0.00 -2.63 0.00 -2.24 -1.25 -4.95 114.28 100.05 2jqi n THR 40 Ca -0.01 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.73 2jqi n THR 40 Cb 0.79 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 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 1.10 -1.14 0.75 3.38 0.00 -1.23 -4.99 105.19 103.07 2jqi n GLY 41 Ca 0.20 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.96 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 -0.81 0.00 -4.81 1.61 6.02 -1.26 -5.11 117.38 113.02 2jqi n GLN 42 Ca 0.06 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.73 2jqi n GLN 42 Cb 0.41 -0.22 -0.13 0.00 1.02 0.00 0.00 30.24 31.33 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 -1.38 3.08 0.19 5.09 1.01 -1.26 -4.93 121.20 123.00 2jqi s ILE 43 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 60.65 59.55 2jqi s ILE 43 Cb 0.00 -2.23 -0.08 0.00 0.01 0.00 0.00 42.46 40.15 2jqi s ILE 43 CO 0.00 0.53 1.18 -2.16 0.00 0.00 0.00 174.94 174.49 2jqi s PRO 44 N -0.92 4.51 0.24 2.79 0.04 -1.26 -4.26 135.00 136.14 2jqi s PRO 44 Ca 0.13 1.86 -0.31 0.00 0.04 0.00 0.00 61.00 62.72 2jqi s PRO 44 Cb -0.11 -3.24 -0.13 0.00 0.04 0.00 0.00 34.50 31.06 2jqi s PRO 44 CO 0.02 -0.06 1.45 -0.89 0.04 0.00 0.00 177.00 177.56 2jqi n ILE 45 N 2.39 0.89 -4.43 0.56 5.41 -1.26 -4.90 119.36 118.01 2jqi n ILE 45 Ca 0.04 -0.22 -0.22 0.00 1.00 0.00 0.00 62.75 63.35 2jqi n ILE 45 Cb 0.45 -1.55 -0.10 0.00 -0.71 0.00 0.00 39.64 37.73 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 -0.32 1.56 -0.19 0.38 3.52 -1.04 -5.04 118.95 117.82 2jqi s ARG 46 Ca 0.68 -1.78 -0.00 0.00 -0.13 0.00 0.00 55.73 54.49 2jqi s ARG 46 Cb -0.63 -1.22 0.01 0.00 -1.56 0.00 0.00 34.95 31.55 2jqi s ARG 46 CO 0.49 0.07 -0.15 0.16 -0.81 0.00 0.00 175.30 175.05 2jqi s ASP 47 N -3.45 3.51 -0.16 -2.12 -4.77 -1.26 -2.89 116.67 105.53 2jqi s ASP 47 Ca 0.29 -0.58 -0.12 0.00 -3.30 0.00 0.00 52.55 48.84 2jqi s ASP 47 Cb 0.03 -1.56 -0.05 0.00 -1.09 0.00 0.00 42.92 40.25 2jqi s ASP 47 CO 0.12 -0.01 0.24 -0.76 0.70 0.00 0.00 175.17 175.46 2jqi s LEU 48 N 1.35 4.26 0.08 2.11 1.43 -0.70 -5.04 118.68 122.17 2jqi s LEU 48 Ca 0.05 0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 53.52 2jqi s LEU 48 Cb -0.13 -2.28 -0.00 0.00 0.03 0.00 0.00 46.19 43.80 2jqi s LEU 48 CO -0.10 0.16 0.19 -0.94 0.23 0.00 0.00 176.35 175.89 2jqi s SER 49 N 0.22 0.11 -0.04 2.29 1.04 -1.26 -0.42 113.70 115.63 2jqi s SER 49 Ca 0.14 -0.60 -0.05 0.00 0.48 0.00 0.00 55.95 55.92 2jqi s SER 49 Cb -0.13 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.33 2jqi s SER 49 CO 0.03 -0.69 0.13 0.00 0.98 0.00 0.00 173.24 173.69 2jqi s ALA 50 N -3.61 -0.32 0.33 5.32 0.00 -0.40 -4.80 121.76 118.27 2jqi s ALA 50 Ca 0.03 0.28 -0.21 0.00 0.00 0.00 0.00 51.96 52.06 2jqi s ALA 50 Cb 0.04 -0.16 -0.10 0.00 0.00 0.00 0.00 23.12 22.90 2jqi s ALA 50 CO -0.10 -0.09 0.84 -0.51 0.00 0.00 0.00 175.76 175.91 2jqi s ASP 51 N -0.19 7.04 0.12 0.00 1.11 -1.26 -4.69 116.67 118.80 2jqi s ASP 51 Ca -0.03 1.57 -0.17 0.00 0.18 0.00 0.00 52.55 54.10 2jqi s ASP 51 Cb -0.02 -2.48 -0.03 0.00 1.07 0.00 0.00 42.92 41.46 2jqi s ASP 51 CO 0.00 -0.15 1.63 0.40 1.18 0.00 0.00 175.17 178.23 2jqi h ILE 52 N 2.31 1.21 -0.98 0.77 2.04 -1.99 -2.37 117.51 118.50 2jqi h ILE 52 Ca -0.48 -0.70 0.08 0.00 1.00 0.00 0.00 64.86 64.76 2jqi h ILE 52 Cb 1.18 1.01 -0.07 0.00 -0.74 0.00 0.00 36.82 38.20 2jqi h ILE 52 CO 0.64 0.24 0.63 -1.28 0.00 0.00 0.00 178.15 178.38 2jqi h SER 53 N 0.42 0.98 -0.18 1.72 0.87 -1.98 0.22 113.55 115.58 2jqi h SER 53 Ca 0.11 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.57 2jqi h SER 53 Cb 0.27 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2jqi h SER 53 CO -0.00 0.60 -0.30 1.56 -0.53 0.00 0.00 176.83 178.15 2jqi h GLN 54 N 1.10 0.68 -0.32 2.24 4.20 -1.94 -1.30 115.11 119.78 2jqi h GLN 54 Ca 0.44 -0.30 -0.13 0.00 0.06 0.00 0.00 58.65 58.72 2jqi h GLN 54 Cb 0.25 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2jqi h GLN 54 CO -0.20 0.90 -0.32 0.28 -0.67 0.00 0.00 178.83 178.82 2jqi h VAL 55 N 0.58 1.29 0.00 -0.54 2.07 -0.64 -2.21 116.25 116.79 2jqi h VAL 55 Ca 0.07 -1.49 -0.10 0.00 0.82 0.00 0.00 66.70 66.00 2jqi h VAL 55 Cb 0.81 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 2jqi h VAL 55 CO 0.07 0.48 -0.46 -0.07 0.02 0.00 0.00 177.57 177.61 2jqi h LEU 56 N 0.54 0.00 -0.02 2.57 4.07 -0.56 -3.22 115.31 118.70 2jqi h LEU 56 Ca 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 2jqi h LEU 56 Cb 0.90 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.64 2jqi h LEU 56 CO 0.08 0.46 -0.06 0.50 -1.08 0.00 0.00 178.44 178.34 2jqi h LYS 57 N 0.00 0.08 -6.04 1.13 3.64 -1.13 -3.42 116.57 110.83 2jqi h LYS 57 Ca -0.00 -0.06 -0.59 0.00 -1.27 0.00 0.00 60.65 58.73 2jqi h LYS 57 Cb 0.91 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.65 2jqi h LYS 57 CO 0.06 0.67 0.63 -1.21 -2.27 0.00 0.00 179.45 177.33 2jqi s GLU 58 N -3.78 4.02 -0.00 1.90 8.01 -0.84 -4.85 118.70 123.15 2jqi s GLU 58 Ca -0.16 0.84 0.02 0.00 0.01 0.00 0.00 54.97 55.67 2jqi s GLU 58 Cb 0.01 -3.73 -0.02 0.00 -4.31 0.00 0.00 34.13 26.08 2jqi s GLU 58 CO 0.70 -0.79 0.04 1.63 0.01 0.00 0.00 175.26 176.85 2jqi n LYS 59 N 6.53 0.06 0.00 1.61 4.01 -1.26 -4.83 118.16 124.28 2jqi n LYS 59 Ca 0.08 -0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 2jqi n LYS 59 Cb 0.48 -1.04 0.00 0.00 -0.51 0.00 0.00 35.03 33.96 2jqi n LYS 59 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2jqi n ARG 60 N -1.56 0.00 -0.59 1.97 0.63 -1.26 -4.94 116.66 110.91 2jqi n ARG 60 Ca -0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 2jqi n ARG 60 Cb 0.04 -0.32 0.27 0.00 0.45 0.00 0.00 32.46 32.90 2jqi n ARG 60 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2jqi s SER 61 N -4.05 -0.35 0.44 6.15 0.01 -1.26 -4.98 113.70 109.66 2jqi s SER 61 Ca 0.00 0.85 -0.22 0.00 1.31 0.00 0.00 55.95 57.88 2jqi s SER 61 Cb 0.00 -1.21 -0.09 0.00 0.21 0.00 0.00 66.02 64.93 2jqi s SER 61 CO 0.00 -4.93 1.05 -0.51 0.41 0.00 0.00 173.24 169.26 2jqi s ILE 62 N -2.50 3.74 0.00 1.44 2.07 -1.26 -4.92 121.20 119.77 2jqi s ILE 62 Ca 0.69 1.22 0.00 0.00 -1.41 0.00 0.00 60.65 61.15 2jqi s ILE 62 Cb -0.13 -3.57 0.00 0.00 0.13 0.00 0.00 42.46 38.88 2jqi s ILE 62 CO 0.58 -0.10 0.00 0.29 -1.91 0.00 0.00 174.94 173.80 2jqi n LYS 63 N -0.47 0.00 -3.82 3.50 4.01 -0.99 -5.02 118.16 115.38 2jqi n LYS 63 Ca 0.07 0.07 -0.12 0.00 -0.51 0.00 0.00 58.31 57.81 2jqi n LYS 63 Cb 0.51 -0.53 -0.13 0.00 -0.51 0.00 0.00 35.03 34.37 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 -0.14 0.15 -0.01 1.97 2.20 -1.15 -5.01 119.74 117.74 2jqi s LYS 64 Ca 0.00 0.19 0.03 0.00 -0.36 0.00 0.00 55.97 55.82 2jqi s LYS 64 Cb 0.00 0.06 -0.00 0.00 -1.51 0.00 0.00 37.83 36.37 2jqi s LYS 64 CO 0.00 -0.03 -0.08 0.08 -0.36 0.00 0.00 175.35 174.96 2jqi s VAL 65 N 0.13 0.68 -0.11 4.02 1.01 -1.26 0.19 120.40 125.06 2jqi s VAL 65 Ca -0.01 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 2jqi s VAL 65 Cb -0.02 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 2jqi s VAL 65 CO -0.00 0.20 0.07 0.26 0.00 0.00 0.00 175.10 175.63 2jqi s TRP 66 N -0.12 3.37 -0.12 5.22 0.51 0.53 -4.90 118.94 123.44 2jqi s TRP 66 Ca 0.02 0.34 0.01 0.00 -2.12 0.00 0.00 56.10 54.34 2jqi s TRP 66 Cb -0.04 -1.88 -0.01 0.00 -0.81 0.00 0.00 33.47 30.72 2jqi s TRP 66 CO -0.00 0.57 -0.15 0.99 -0.51 0.00 0.00 176.95 177.85 2jqi s THR 67 N -0.84 2.91 0.06 2.01 2.01 -1.26 0.18 115.64 120.71 2jqi s THR 67 Ca 0.13 -0.71 0.10 0.00 0.31 0.00 0.00 61.69 61.51 2jqi s THR 67 Cb -0.12 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 2jqi s THR 67 CO 0.03 0.53 -0.26 -0.36 -0.69 0.00 0.00 174.62 173.86 2jqi s PHE 68 N 0.32 2.31 -5.00 4.92 0.40 0.49 0.15 117.98 121.58 2jqi s PHE 68 Ca -0.12 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.81 2jqi s PHE 68 Cb -0.16 -1.37 0.00 0.00 0.51 0.00 0.00 43.02 42.00 2jqi s PHE 68 CO 0.06 0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.55 2jqi n GLY 69 N 1.64 -1.08 0.00 4.36 0.00 -0.51 0.15 105.19 109.75 2jqi n GLY 69 Ca -0.17 -1.22 0.12 0.00 0.00 0.00 0.00 46.02 44.75 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 0.94 -2.92 1.61 1.74 0.39 -0.94 116.66 117.48 2jqi n ARG 70 Ca 0.00 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 2jqi n ARG 70 Cb 0.00 -1.40 -0.04 0.00 -1.02 0.00 0.00 32.46 30.00 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 -1.82 7.03 0.27 0.55 3.04 0.34 -4.82 114.94 119.53 2jqi s ASN 71 Ca 0.36 1.25 0.21 0.00 0.04 0.00 0.00 52.86 54.72 2jqi s ASN 71 Cb 0.17 -2.46 1.02 0.00 -1.54 0.00 0.00 41.25 38.44 2jqi s ASN 71 CO 0.28 -0.27 1.64 -2.65 -3.04 0.00 0.00 177.10 173.05 2jqi n PRO 72 N 4.48 0.15 0.07 0.43 -0.02 -1.26 -1.40 135.00 137.45 2jqi n PRO 72 Ca 0.03 0.54 -0.22 0.00 -2.02 0.00 0.00 63.50 61.82 2jqi n PRO 72 Cb 0.50 -1.89 -0.15 0.00 -0.02 0.00 0.00 33.50 31.94 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 2.11 0.02 -1.10 3.55 0.00 -1.95 -3.47 119.26 118.42 2jqi h ALA 73 Ca 0.00 -0.95 -0.68 0.00 0.00 0.00 0.00 54.91 53.28 2jqi h ALA 73 Cb 0.14 0.31 0.10 0.00 0.00 0.00 0.00 17.79 18.34 2jqi h ALA 73 CO 0.00 0.73 -0.38 0.00 0.00 0.00 0.00 179.25 179.60 2jqi h ASP 75 N 1.40 0.00 -3.30 0.00 1.82 0.11 -3.36 116.42 113.09 2jqi h ASP 75 Ca -0.32 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 55.78 2jqi h ASP 75 Cb 1.43 0.00 -0.38 0.00 0.68 0.00 0.00 39.33 41.06 2jqi h ASP 75 CO 0.59 0.00 -0.79 -0.47 -1.61 0.00 0.00 179.24 176.96 2jqi s TYR 76 N -3.94 1.58 -0.49 0.28 5.04 -0.12 -4.93 117.35 114.77 2jqi s TYR 76 Ca -0.04 -0.97 -0.22 0.00 -2.44 0.00 0.00 57.07 53.40 2jqi s TYR 76 Cb 0.09 -1.26 0.04 0.00 0.35 0.00 0.00 41.96 41.18 2jqi s TYR 76 CO 0.29 -0.58 0.79 -1.58 -1.34 0.00 0.00 175.55 173.13 2jqi s HIS 77 N 1.67 2.95 0.00 4.97 2.46 -1.26 -1.42 115.29 124.66 2jqi s HIS 77 Ca 0.02 -0.04 0.00 0.00 0.47 0.00 0.00 55.06 55.51 2jqi s HIS 77 Cb -0.15 -3.73 0.00 0.00 -0.13 0.00 0.00 32.58 28.57 2jqi s HIS 77 CO -0.08 -1.09 0.27 1.28 -2.47 0.00 0.00 174.74 172.65 2jqi n LEU 78 N 6.80 1.23 0.00 8.88 4.77 -0.11 -4.74 117.00 133.83 2jqi n LEU 78 Ca 0.00 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2jqi n LEU 78 Cb 0.47 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2jqi n LEU 78 CO 0.59 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2jqi n GLY 79 N 1.12 -1.70 2.70 -0.72 0.00 -1.26 -4.62 105.19 100.71 2jqi n GLY 79 Ca 0.00 0.75 -0.07 0.00 0.00 0.00 0.00 46.02 46.70 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 -1.91 -4.59 1.61 6.94 -1.26 -4.91 115.26 111.14 2jqi n ASN 80 Ca 0.00 -2.70 -0.41 0.00 -0.02 0.00 0.00 54.58 51.46 2jqi n ASN 80 Cb 0.00 1.30 -0.08 0.00 -2.36 0.00 0.00 39.78 38.64 2jqi n ASN 80 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2jqi s ILE 81 N 0.19 5.04 0.54 1.53 1.09 -1.26 -4.94 121.20 123.40 2jqi s ILE 81 Ca 0.20 0.63 0.26 0.00 -1.10 0.00 0.00 60.65 60.63 2jqi s ILE 81 Cb 0.32 -3.89 0.38 0.00 -1.06 0.00 0.00 42.46 38.22 2jqi s ILE 81 CO -0.08 -0.05 2.01 -1.28 -0.10 0.00 0.00 174.94 175.44 2jqi h SER 82 N 8.23 0.00 -0.04 3.58 0.87 -1.99 -1.76 113.55 122.44 2jqi h SER 82 Ca -0.29 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.23 2jqi h SER 82 Cb 1.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2jqi h SER 82 CO 0.74 0.00 -0.16 0.03 -0.53 0.00 0.00 176.83 176.91 2jqi h ARG 83 N 0.00 0.17 -6.99 2.24 2.47 -1.92 -3.45 114.38 106.91 2jqi h ARG 83 Ca 0.21 -0.14 -0.49 0.00 -1.26 0.00 0.00 59.98 58.31 2jqi h ARG 83 Cb 0.91 0.03 0.04 0.00 -1.65 0.00 0.00 29.97 29.30 2jqi h ARG 83 CO -0.00 0.78 0.44 -0.51 0.56 0.00 0.00 179.97 181.24 2jqi s LEU 84 N -8.81 4.06 0.41 3.04 1.43 -0.66 -4.67 118.68 113.48 2jqi s LEU 84 Ca -0.16 2.15 0.01 0.00 -1.03 0.00 0.00 54.13 55.10 2jqi s LEU 84 Cb 0.02 -4.24 -0.01 0.00 0.03 0.00 0.00 46.19 41.99 2jqi s LEU 84 CO 0.73 -0.70 0.62 -0.94 0.23 0.00 0.00 176.35 176.28 2jqi s SER 85 N -1.51 5.95 0.24 2.29 1.04 -1.26 -4.74 113.70 115.71 2jqi s SER 85 Ca 0.61 0.27 -0.14 0.00 0.48 0.00 0.00 55.95 57.17 2jqi s SER 85 Cb -0.24 -1.61 0.31 0.00 0.10 0.00 0.00 66.02 64.58 2jqi s SER 85 CO 0.30 -0.58 1.57 0.78 0.98 0.00 0.00 173.24 176.29 2jqi h ASN 86 N 0.54 -1.12 -3.20 7.02 2.35 -1.92 -1.05 115.58 118.20 2jqi h ASN 86 Ca -0.47 0.29 -0.62 0.00 -0.55 0.00 0.00 56.30 54.95 2jqi h ASN 86 Cb 1.25 0.65 -0.42 0.00 0.05 0.00 0.00 38.32 39.85 2jqi h ASN 86 CO 0.58 -0.30 -0.60 -0.54 -1.65 0.00 0.00 177.43 174.91 2jqi s LYS 87 N -6.10 2.31 0.13 0.81 1.02 -1.26 0.15 119.74 116.79 2jqi s LYS 87 Ca -0.14 -3.18 -0.17 0.00 0.02 0.00 0.00 55.97 52.49 2jqi s LYS 87 Cb 0.22 -3.28 -0.02 0.00 -0.52 0.00 0.00 37.83 34.23 2jqi s LYS 87 CO 0.74 -1.27 1.75 1.25 -0.92 0.00 0.00 175.35 176.90 2jqi h HIS 88 N 5.54 0.44 -3.81 3.18 2.76 0.19 -3.35 115.15 120.10 2jqi h HIS 88 Ca 0.13 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.18 2jqi h HIS 88 Cb 0.78 -0.14 -0.16 0.00 1.55 0.00 0.00 27.41 29.44 2jqi h HIS 88 CO 0.64 0.34 -0.47 -0.59 -1.30 0.00 0.00 177.93 176.55 2jqi s PHE 89 N -5.93 0.20 -0.01 5.26 -0.71 -0.22 0.15 117.98 116.72 2jqi s PHE 89 Ca -0.13 -0.56 0.01 0.00 -1.04 0.00 0.00 56.93 55.22 2jqi s PHE 89 Cb 0.10 -0.13 -0.00 0.00 -1.21 0.00 0.00 43.02 41.78 2jqi s PHE 89 CO 0.72 -0.44 -0.05 -1.14 -1.34 0.00 0.00 175.22 172.98 2jqi s GLN 90 N -3.17 0.42 -0.15 1.99 0.74 0.40 0.19 119.66 120.08 2jqi s GLN 90 Ca -0.00 -0.16 -0.01 0.00 0.05 0.00 0.00 55.36 55.23 2jqi s GLN 90 Cb 0.02 -0.42 -0.01 0.00 1.10 0.00 0.00 33.01 33.70 2jqi s GLN 90 CO -0.07 0.09 -0.10 0.42 -0.55 0.00 0.00 175.29 175.07 2jqi s ILE 91 N -0.00 3.22 0.08 -2.34 1.01 0.46 0.19 121.20 123.83 2jqi s ILE 91 Ca 0.01 -0.59 0.05 0.00 0.00 0.00 0.00 60.65 60.12 2jqi s ILE 91 Cb -0.03 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 2jqi s ILE 91 CO -0.00 0.50 -0.03 -1.48 0.00 0.00 0.00 174.94 173.93 2jqi s LEU 92 N 0.58 3.33 -0.13 2.97 2.34 0.51 0.20 118.68 128.49 2jqi s LEU 92 Ca -0.06 -0.22 0.02 0.00 0.06 0.00 0.00 54.13 53.92 2jqi s LEU 92 Cb -0.15 -2.06 0.02 0.00 -0.56 0.00 0.00 46.19 43.43 2jqi s LEU 92 CO 0.03 0.19 -0.17 -0.22 -1.06 0.00 0.00 176.35 175.12 2jqi s LEU 93 N -2.17 1.85 0.00 1.48 0.20 0.13 -0.51 118.68 119.66 2jqi s LEU 93 Ca 0.24 -0.50 -0.06 0.00 0.69 0.00 0.00 54.13 54.49 2jqi s LEU 93 Cb -0.11 -1.23 0.03 0.00 -0.43 0.00 0.00 46.19 44.44 2jqi s LEU 93 CO 0.16 0.02 0.34 0.61 -0.29 0.00 0.00 176.35 177.19 2jqi n GLY 94 N 4.31 1.53 2.61 7.98 0.00 -1.15 -2.33 105.19 118.13 2jqi n GLY 94 Ca -0.19 -1.11 -0.16 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.23 -1.41 -2.95 1.61 -0.58 -1.26 -3.47 120.64 112.35 2jqi n GLU 95 Ca -0.04 1.07 -0.01 0.00 -0.42 0.00 0.00 57.16 57.76 2jqi n GLU 95 Cb 0.25 -5.39 0.00 0.00 -0.57 0.00 0.00 31.44 25.73 2jqi n GLU 95 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2jqi n ASP 96 N -1.07 -7.34 0.00 1.62 9.92 -1.26 -4.19 116.55 114.24 2jqi n ASP 96 Ca -0.16 0.92 0.00 0.00 -0.53 0.00 0.00 54.79 55.02 2jqi n ASP 96 Cb 0.60 -3.61 0.00 0.00 -0.64 0.00 0.00 41.12 37.47 2jqi n ASP 96 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jqi n GLY 97 N 0.91 2.38 3.69 0.44 0.00 -1.25 -4.91 105.19 106.46 2jqi n GLY 97 Ca 0.00 -0.72 -0.44 0.00 0.00 0.00 0.00 46.02 44.86 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 1.77 3.15 -4.68 1.61 4.13 -1.23 -4.90 115.26 115.11 2jqi n ASN 98 Ca 0.00 1.13 -0.27 0.00 1.68 0.00 0.00 54.58 57.12 2jqi n ASN 98 Cb 0.00 -1.48 -0.08 0.00 -1.54 0.00 0.00 39.78 36.68 2jqi n ASN 98 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2jqi s LEU 99 N 0.07 3.38 0.03 3.41 1.02 -1.26 -2.95 118.68 122.39 2jqi s LEU 99 Ca 0.68 -0.32 0.03 0.00 0.02 0.00 0.00 54.13 54.55 2jqi s LEU 99 Cb -0.60 -2.06 -0.02 0.00 0.02 0.00 0.00 46.19 43.53 2jqi s LEU 99 CO 0.47 0.11 -0.10 -0.76 0.02 0.00 0.00 176.35 176.09 2jqi s LEU 100 N -2.78 2.15 -0.19 1.79 2.01 0.34 -3.50 118.68 118.50 2jqi s LEU 100 Ca 0.27 -0.39 -0.03 0.00 0.01 0.00 0.00 54.13 54.00 2jqi s LEU 100 Cb -0.10 -0.40 -0.01 0.00 0.01 0.00 0.00 46.19 45.69 2jqi s LEU 100 CO 0.19 -0.02 -0.07 -0.76 1.01 0.00 0.00 176.35 176.69 2jqi s LEU 101 N -0.98 2.83 -0.24 1.79 1.43 0.52 -0.36 118.68 123.67 2jqi s LEU 101 Ca -0.01 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2jqi s LEU 101 Cb -0.07 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.48 2jqi s LEU 101 CO 0.01 0.04 -0.07 0.21 0.23 0.00 0.00 176.35 176.76 2jqi s ASN 102 N 1.14 4.21 0.14 2.29 2.47 0.50 -2.09 114.94 123.60 2jqi s ASN 102 Ca 0.01 -0.84 -0.30 0.00 0.42 0.00 0.00 52.86 52.15 2jqi s ASN 102 Cb -0.14 -1.65 -0.07 0.00 -1.45 0.00 0.00 41.25 37.94 2jqi s ASN 102 CO -0.02 -0.11 1.06 1.51 -3.72 0.00 0.00 177.10 175.82 2jqi s ASP 103 N 1.32 7.33 -0.26 -4.21 1.47 -1.25 0.15 116.67 121.22 2jqi s ASP 103 Ca 0.01 1.97 0.22 0.00 1.18 0.00 0.00 52.55 55.93 2jqi s ASP 103 Cb -0.16 -2.60 0.50 0.00 -0.34 0.00 0.00 42.92 40.32 2jqi s ASP 103 CO -0.05 -0.20 1.15 2.30 0.68 0.00 0.00 175.17 179.06 2jqi n ILE 104 N 2.71 1.11 -3.62 2.11 -5.35 -0.45 0.23 119.36 116.09 2jqi n ILE 104 Ca 0.03 -2.67 -0.23 0.00 -0.27 0.00 0.00 62.75 59.61 2jqi n ILE 104 Cb 0.47 1.27 -0.02 0.00 -1.74 0.00 0.00 39.64 39.63 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 -3.49 6.31 0.19 7.28 0.01 0.40 -4.16 113.70 120.25 2jqi s SER 105 Ca 0.25 0.30 -0.06 0.00 1.31 0.00 0.00 55.95 57.76 2jqi s SER 105 Cb 0.33 -1.97 0.11 0.00 0.21 0.00 0.00 66.02 64.71 2jqi s SER 105 CO -0.05 -0.20 1.57 0.74 0.41 0.00 0.00 173.24 175.71 2jqi h THR 106 N 0.95 1.28 0.00 1.44 2.02 -1.88 -3.25 112.91 113.47 2jqi h THR 106 Ca -0.50 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.20 2jqi h THR 106 Cb 1.22 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 2jqi h THR 106 CO 0.62 0.49 -1.85 -0.46 0.37 0.00 0.00 175.52 174.68 2jqi n ASN 107 N -4.07 0.13 0.00 4.18 0.23 -1.26 -5.09 115.26 109.37 2jqi n ASN 107 Ca -0.01 0.02 0.00 0.00 -0.53 0.00 0.00 54.58 54.06 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 1.26 3.18 3.36 4.83 0.00 -1.23 -4.94 105.19 111.65 2jqi n GLY 108 Ca -0.03 -1.97 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 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 2.51 0.08 2.61 2.01 -1.26 -4.44 115.64 114.54 2jqi s THR 109 Ca 0.00 -0.92 0.06 0.00 0.31 0.00 0.00 61.69 61.15 2jqi s THR 109 Cb 0.00 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 2jqi s THR 109 CO 0.00 0.58 -0.11 0.26 -0.69 0.00 0.00 174.62 174.66 2jqi s TRP 110 N -0.45 2.73 -0.21 4.92 0.51 0.32 -2.12 118.94 124.65 2jqi s TRP 110 Ca 0.05 -0.15 0.01 0.00 -2.12 0.00 0.00 56.10 53.89 2jqi s TRP 110 Cb -0.12 -1.46 0.05 0.00 -0.81 0.00 0.00 33.47 31.13 2jqi s TRP 110 CO 0.01 0.39 -0.09 -1.17 -0.51 0.00 0.00 176.95 175.58 2jqi s LEU 111 N -1.97 2.43 -1.69 2.99 2.96 0.14 0.13 118.68 123.67 2jqi s LEU 111 Ca 0.20 -0.98 -0.13 0.00 -0.22 0.00 0.00 54.13 53.00 2jqi s LEU 111 Cb -0.11 -1.25 0.12 0.00 0.50 0.00 0.00 46.19 45.45 2jqi s LEU 111 CO 0.11 -0.16 0.46 0.59 -1.32 0.00 0.00 176.35 176.03 2jqi n ASN 112 N 4.66 -1.23 0.00 3.68 3.02 -0.97 0.10 115.26 124.53 2jqi n ASN 112 Ca -0.14 -1.17 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 2jqi n ASN 112 Cb 0.46 -2.07 0.00 0.00 -0.61 0.00 0.00 39.78 37.55 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 -1.68 2.15 3.50 7.41 0.00 -1.26 -5.01 105.19 110.29 2jqi n GLY 113 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.48 3.66 -0.05 1.61 2.00 0.28 -5.06 119.66 121.61 2jqi s GLN 114 Ca 0.00 -0.50 -0.30 0.00 -2.00 0.00 0.00 55.36 52.56 2jqi s GLN 114 Cb 0.00 -3.53 -0.04 0.00 0.80 0.00 0.00 33.01 30.24 2jqi s GLN 114 CO 0.00 -0.26 1.29 0.21 -0.50 0.00 0.00 175.29 176.03 2jqi s LYS 115 N 1.67 4.30 0.44 1.67 2.47 -1.26 0.27 119.74 129.30 2jqi s LYS 115 Ca 0.06 1.79 -0.02 0.00 -1.56 0.00 0.00 55.97 56.24 2jqi s LYS 115 Cb -0.16 -3.61 -0.02 0.00 -1.46 0.00 0.00 37.83 32.58 2jqi s LYS 115 CO 0.07 -0.55 0.68 0.14 0.16 0.00 0.00 175.35 175.85 2jqi s VAL 116 N 2.55 4.57 -0.03 4.02 -7.23 -0.90 -4.93 120.40 118.43 2jqi s VAL 116 Ca 0.59 -0.27 -0.30 0.00 -1.81 0.00 0.00 61.98 60.19 2jqi s VAL 116 Cb -0.27 -3.70 -0.05 0.00 0.56 0.00 0.00 36.38 32.92 2jqi s VAL 116 CO 0.23 -0.55 1.47 -1.83 -0.31 0.00 0.00 175.10 174.11 2jqi s GLU 117 N -4.56 4.24 0.98 4.82 -1.05 -1.26 -4.57 118.70 117.30 2jqi s GLU 117 Ca 0.46 2.01 -0.15 0.00 -0.15 0.00 0.00 54.97 57.15 2jqi s GLU 117 Cb -0.10 -3.71 0.01 0.00 -0.44 0.00 0.00 34.13 29.89 2jqi s GLU 117 CO 0.40 -0.68 0.10 1.17 0.95 0.00 0.00 175.26 177.20 2jqi n LYS 118 N 6.03 -0.42 -2.87 -4.83 4.81 -1.26 -2.15 118.16 117.47 2jqi n LYS 118 Ca 0.15 -0.09 -0.17 0.00 -0.87 0.00 0.00 58.31 57.33 2jqi n LYS 118 Cb 0.43 -1.68 -0.03 0.00 0.02 0.00 0.00 35.03 33.78 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 -0.48 -1.03 -4.56 3.14 0.23 0.61 -4.86 115.26 108.31 2jqi n ASN 119 Ca 0.04 -0.32 -0.32 0.00 -0.53 0.00 0.00 54.58 53.45 2jqi n ASN 119 Cb 0.56 -0.94 -0.11 0.00 -2.08 0.00 0.00 39.78 37.21 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 -0.14 0.53 0.15 -0.91 -4.91 113.70 110.79 2jqi s SER 120 Ca 0.33 -0.23 -0.25 0.00 0.70 0.00 0.00 55.95 56.50 2jqi s SER 120 Cb -0.19 -0.95 -0.02 0.00 -1.71 0.00 0.00 66.02 63.14 2jqi s SER 120 CO 0.40 0.26 0.80 0.20 1.20 0.00 0.00 173.24 176.11 2jqi s ASN 121 N -1.51 6.98 0.05 5.45 -0.87 -1.26 -3.95 114.94 119.83 2jqi s ASN 121 Ca 0.17 1.19 0.05 0.00 -1.57 0.00 0.00 52.86 52.71 2jqi s ASN 121 Cb -0.11 -2.45 -0.02 0.00 -0.02 0.00 0.00 41.25 38.65 2jqi s ASN 121 CO 0.08 -0.32 -0.15 -1.10 -2.57 0.00 0.00 177.10 173.04 2jqi s GLN 122 N 1.77 0.94 -0.31 -0.60 -1.52 -0.89 -4.91 119.66 114.14 2jqi s GLN 122 Ca 0.39 -0.85 -0.29 0.00 -1.95 0.00 0.00 55.36 52.65 2jqi s GLN 122 Cb -0.17 -0.98 0.01 0.00 -0.22 0.00 0.00 33.01 31.65 2jqi s GLN 122 CO 0.15 0.23 1.23 -1.17 -0.25 0.00 0.00 175.29 175.48 2jqi s LEU 123 N -1.36 3.88 0.99 2.90 0.20 -1.26 -0.36 118.68 123.68 2jqi s LEU 123 Ca 0.01 1.12 -0.14 0.00 0.69 0.00 0.00 54.13 55.82 2jqi s LEU 123 Cb -0.09 -3.54 0.07 0.00 -0.43 0.00 0.00 46.19 42.21 2jqi s LEU 123 CO 0.02 -1.03 0.42 0.00 -0.29 0.00 0.00 176.35 175.47 2jqi n LEU 124 N 7.41 -0.38 -4.32 -0.68 -0.00 -1.23 -4.93 117.00 112.87 2jqi n LEU 124 Ca 0.14 0.22 -0.23 0.00 -0.00 0.00 0.00 56.01 56.14 2jqi n LEU 124 Cb 0.47 -1.18 -0.12 0.00 -0.00 0.00 0.00 43.42 42.59 2jqi n LEU 124 CO 0.62 -3.36 -0.50 -0.44 -0.00 0.00 0.00 177.39 173.72 2jqi s SER 125 N -2.06 2.65 -0.12 1.45 0.01 -1.26 -5.05 113.70 109.33 2jqi s SER 125 Ca 0.58 -0.80 -0.29 0.00 1.31 0.00 0.00 55.95 56.74 2jqi s SER 125 Cb -0.19 -0.15 -0.03 0.00 0.21 0.00 0.00 66.02 65.85 2jqi s SER 125 CO 0.66 0.00 1.45 -1.10 0.41 0.00 0.00 173.24 174.66 2jqi s GLN 126 N -2.49 4.20 -1.90 12.44 -1.52 -1.26 -2.69 119.66 126.43 2jqi s GLN 126 Ca 0.13 1.90 0.00 0.00 -1.95 0.00 0.00 55.36 55.44 2jqi s GLN 126 Cb -0.07 -3.87 0.00 0.00 -0.22 0.00 0.00 33.01 28.85 2jqi s GLN 126 CO 0.06 -0.78 0.00 0.41 -0.25 0.00 0.00 175.29 174.73 2jqi n GLY 127 N 3.87 0.83 2.92 3.09 0.00 -0.84 -4.95 105.19 110.10 2jqi n GLY 127 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.56 -3.91 -3.78 1.61 2.03 -1.00 -4.57 116.55 105.37 2jqi n ASP 128 Ca -0.21 -0.82 -0.13 0.00 0.52 0.00 0.00 54.79 54.15 2jqi n ASP 128 Cb 0.66 -0.91 -0.13 0.00 -0.72 0.00 0.00 41.12 40.02 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 -4.92 0.19 -0.15 -0.67 2.02 -1.26 -0.60 118.70 113.32 2jqi s GLU 129 Ca 0.62 0.35 -0.01 0.00 0.02 0.00 0.00 54.97 55.95 2jqi s GLU 129 Cb -0.11 -0.00 -0.01 0.00 0.10 0.00 0.00 34.13 34.11 2jqi s GLU 129 CO 0.51 -0.09 -0.11 0.42 0.02 0.00 0.00 175.26 176.01 2jqi s ILE 130 N 0.59 3.11 -0.08 -1.63 1.01 0.17 -2.28 121.20 122.09 2jqi s ILE 130 Ca -0.04 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 59.95 2jqi s ILE 130 Cb -0.05 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 2jqi s ILE 130 CO -0.03 0.51 0.06 -0.89 0.00 0.00 0.00 174.94 174.58 2jqi s THR 131 N 0.59 4.73 0.05 2.92 2.01 0.36 0.64 115.64 126.94 2jqi s THR 131 Ca -0.07 -0.15 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 2jqi s THR 131 Cb -0.15 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 2jqi s THR 131 CO 0.03 0.56 -0.02 0.68 -0.69 0.00 0.00 174.62 175.18 2jqi s VAL 132 N -0.99 0.20 0.00 3.82 -7.23 0.24 0.12 120.40 116.57 2jqi s VAL 132 Ca 0.16 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 2jqi s VAL 132 Cb -0.12 -1.31 0.00 0.00 0.56 0.00 0.00 36.38 35.51 2jqi s VAL 132 CO 0.05 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.55 2jqi n GLY 133 N 0.35 0.78 3.78 2.32 0.00 -1.26 0.63 105.19 111.78 2jqi n GLY 133 Ca -0.16 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.93 4.39 0.00 1.61 1.01 -1.26 -3.03 120.40 120.19 2jqi s VAL 134 Ca 0.00 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.64 2jqi s VAL 134 Cb 0.00 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.27 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 3.03 3.01 4.51 0.00 -1.26 -5.00 105.19 110.98 2jqi n GLY 135 Ca -0.05 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 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 0.54 1.61 1.01 -1.26 -5.01 120.40 118.66 2jqi s VAL 136 Ca 0.00 -0.54 0.33 0.00 0.00 0.00 0.00 61.98 61.77 2jqi s VAL 136 Cb 0.00 -1.29 0.50 0.00 0.00 0.00 0.00 36.38 35.59 2jqi s VAL 136 CO 0.00 0.42 1.87 1.05 0.00 0.00 0.00 175.10 178.44 2jqi h GLU 137 N 7.72 0.00 -0.33 2.72 4.11 -1.98 0.69 114.58 127.51 2jqi h GLU 137 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.10 2jqi h GLU 137 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2jqi h GLU 137 CO 0.48 0.00 0.00 0.43 0.07 0.00 0.00 179.01 179.99 2jqi n SER 138 N -4.22 2.47 -0.76 3.06 7.64 -1.26 -4.19 113.62 116.36 2jqi n SER 138 Ca 0.20 -1.88 0.05 0.00 1.01 0.00 0.00 58.87 58.25 2jqi n SER 138 Cb 1.02 -0.22 0.13 0.00 -1.01 0.00 0.00 64.21 64.12 2jqi n SER 138 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jqi n ASP 139 N 0.85 1.45 -4.67 6.43 8.00 0.24 -5.04 116.55 123.80 2jqi n ASP 139 Ca 0.17 -3.06 -0.35 0.00 0.71 0.00 0.00 54.79 52.26 2jqi n ASP 139 Cb 0.43 -0.42 -0.10 0.00 -0.02 0.00 0.00 41.12 41.02 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 -1.96 4.29 -0.05 0.53 1.01 -1.17 -4.42 121.20 119.43 2jqi s ILE 140 Ca 0.32 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.76 2jqi s ILE 140 Cb 0.33 -2.81 -0.00 0.00 0.01 0.00 0.00 42.46 39.99 2jqi s ILE 140 CO -0.08 0.60 -0.19 -0.22 0.00 0.00 0.00 174.94 175.05 2jqi s LEU 141 N -0.79 1.95 0.10 2.97 0.20 0.20 -4.96 118.68 118.35 2jqi s LEU 141 Ca 0.12 -0.41 0.05 0.00 0.69 0.00 0.00 54.13 54.59 2jqi s LEU 141 Cb -0.11 -1.10 -0.04 0.00 -0.43 0.00 0.00 46.19 44.51 2jqi s LEU 141 CO 0.02 0.17 0.01 -0.55 -0.29 0.00 0.00 176.35 175.71 2jqi s SER 142 N 0.06 5.04 0.09 3.68 0.15 -1.26 0.83 113.70 122.29 2jqi s SER 142 Ca -0.06 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.42 2jqi s SER 142 Cb -0.13 -1.20 -0.04 0.00 -1.71 0.00 0.00 66.02 62.94 2jqi s SER 142 CO 0.03 0.16 -0.07 -0.76 1.20 0.00 0.00 173.24 173.81 2jqi s LEU 143 N -2.39 2.46 -0.07 3.45 1.43 0.21 -3.54 118.68 120.23 2jqi s LEU 143 Ca 0.26 -0.92 0.03 0.00 -1.03 0.00 0.00 54.13 52.47 2jqi s LEU 143 Cb -0.11 -0.10 0.01 0.00 0.03 0.00 0.00 46.19 46.01 2jqi s LEU 143 CO 0.19 -0.41 -0.15 -0.69 0.23 0.00 0.00 176.35 175.51 2jqi s VAL 144 N -3.20 1.37 -0.25 -1.59 1.01 0.35 0.42 120.40 118.52 2jqi s VAL 144 Ca 0.08 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.36 2jqi s VAL 144 Cb 0.02 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 2jqi s VAL 144 CO -0.04 0.41 0.08 -0.63 0.00 0.00 0.00 175.10 174.92 2jqi s ILE 145 N 0.53 4.40 -0.34 2.22 1.09 0.23 0.11 121.20 129.45 2jqi s ILE 145 Ca -0.15 -0.14 -0.09 0.00 -1.10 0.00 0.00 60.65 59.17 2jqi s ILE 145 Cb -0.16 -3.05 0.02 0.00 -1.06 0.00 0.00 42.46 38.21 2jqi s ILE 145 CO 0.05 0.34 0.15 0.12 -0.10 0.00 0.00 174.94 175.50 2jqi s PHE 146 N 1.53 3.21 -0.03 3.97 5.36 0.31 -1.99 117.98 130.34 2jqi s PHE 146 Ca 0.06 -0.99 -0.25 0.00 -0.96 0.00 0.00 56.93 54.79 2jqi s PHE 146 Cb -0.15 -2.35 -0.04 0.00 -0.34 0.00 0.00 43.02 40.14 2jqi s PHE 146 CO 0.04 -0.61 0.77 0.42 -1.46 0.00 0.00 175.22 174.38 2jqi s ILE 147 N 1.52 4.94 -0.24 3.12 1.01 -1.26 0.11 121.20 130.40 2jqi s ILE 147 Ca 0.02 1.62 -0.29 0.00 0.00 0.00 0.00 60.65 61.99 2jqi s ILE 147 Cb -0.18 -4.12 -0.00 0.00 0.01 0.00 0.00 42.46 38.17 2jqi s ILE 147 CO 0.05 0.26 1.26 0.21 0.00 0.00 0.00 174.94 176.72 2jqi s ASN 148 N 0.64 6.82 0.20 3.58 3.84 -1.00 -4.90 114.94 124.12 2jqi s ASN 148 Ca 0.41 1.42 0.02 0.00 0.21 0.00 0.00 52.86 54.91 2jqi s ASN 148 Cb -0.19 -2.54 0.12 0.00 -0.55 0.00 0.00 41.25 38.09 2jqi s ASN 148 CO 0.21 -0.92 1.48 -0.78 -2.79 0.00 0.00 177.10 174.30 2jqi h ASP 149 N 8.70 0.35 -0.42 -4.21 3.58 -1.91 -3.18 116.42 119.32 2jqi h ASP 149 Ca -0.26 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 56.97 2jqi h ASP 149 Cb 1.10 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 42.02 2jqi h ASP 149 CO 1.00 0.95 0.28 0.50 -2.88 0.00 0.00 179.24 179.09 2jqi h LYS 150 N 0.21 0.56 -0.76 0.28 3.64 -1.93 -2.44 116.57 116.12 2jqi h LYS 150 Ca -0.02 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.37 2jqi h LYS 150 Cb 1.26 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.90 2jqi h LYS 150 CO 0.11 0.37 0.47 0.35 -2.27 0.00 0.00 179.45 178.48 2jqi h PHE 151 N 0.57 0.88 -0.48 1.91 3.57 -1.78 -1.65 116.94 119.96 2jqi h PHE 151 Ca 0.16 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 2jqi h PHE 151 Cb -0.06 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.37 2jqi h PHE 151 CO -0.05 0.47 0.30 -0.22 -2.23 0.00 0.00 178.31 176.58 2jqi h LYS 152 N 0.89 0.64 -0.61 1.11 3.64 -1.44 -2.35 116.57 118.44 2jqi h LYS 152 Ca 0.32 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 2jqi h LYS 152 Cb 0.09 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 2jqi h LYS 152 CO -0.14 0.44 0.36 1.96 -2.27 0.00 0.00 179.45 179.80 2jqi h GLN 153 N 0.65 0.84 -0.35 1.90 1.08 -0.85 0.12 115.11 118.50 2jqi h GLN 153 Ca 0.17 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 2jqi h GLN 153 Cb -0.04 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.20 2jqi h GLN 153 CO -0.03 0.61 0.16 0.00 -0.95 0.00 0.00 178.83 178.62 2jqi h LEU 155 N 0.43 0.63 -1.15 0.00 -0.00 -1.27 0.91 115.31 114.86 2jqi h LEU 155 Ca 0.12 -0.21 -0.03 0.00 -0.00 0.00 0.00 57.88 57.76 2jqi h LEU 155 Cb 0.13 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 40.59 2jqi h LEU 155 CO -0.01 0.84 0.22 -0.08 -0.00 0.00 0.00 178.44 179.41 2jqi h GLU 156 N 0.56 0.81 0.07 1.13 4.81 -0.49 -3.10 114.58 118.36 2jqi h GLU 156 Ca 0.08 -0.12 -0.35 0.00 -0.13 0.00 0.00 59.36 58.84 2jqi h GLU 156 Cb 0.67 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 2jqi h GLU 156 CO 0.05 0.67 -2.00 1.04 -0.73 0.00 0.00 179.01 178.05 2jqi n GLN 157 N -4.33 0.71 -0.10 1.92 3.00 -0.82 -5.07 117.38 112.70 2jqi n GLN 157 Ca 0.05 0.24 0.01 0.00 -0.01 0.00 0.00 57.00 57.29 2jqi n GLN 157 Cb 0.16 -1.70 -0.00 0.00 0.00 0.00 0.00 30.24 28.70 2jqi n GLN 157 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2jqi n ASN 158 N -3.29 -1.66 -4.84 1.08 0.23 0.31 -4.72 115.26 102.38 2jqi n ASN 158 Ca -0.29 0.10 -0.32 0.00 -0.53 0.00 0.00 54.58 53.54 2jqi n ASN 158 Cb 1.05 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 38.36 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 -0.35 3.53 -0.26 -3.83 2.20 -1.26 -5.02 119.74 114.75 2jqi s LYS 159 Ca 0.00 0.96 -0.10 0.00 -0.36 0.00 0.00 55.97 56.48 2jqi s LYS 159 Cb 0.00 -2.07 -0.04 0.00 -1.51 0.00 0.00 37.83 34.20 2jqi s LYS 159 CO 0.00 -0.62 0.15 0.14 -0.36 0.00 0.00 175.35 174.66 2jqi s VAL 160 N -2.79 5.06 0.00 4.02 -7.23 -1.26 -5.07 120.40 113.12 2jqi s VAL 160 Ca 0.59 0.08 0.00 0.00 -1.81 0.00 0.00 61.98 60.84 2jqi s VAL 160 Cb -0.12 -3.39 -0.00 0.00 0.56 0.00 0.00 36.38 33.43 2jqi s VAL 160 CO 0.42 0.29 0.00 -0.67 -0.31 0.00 0.00 175.10 174.84 2jqi n ASP 161 N 4.87 0.81 -2.23 4.85 -0.08 -1.26 -5.04 116.55 118.46 2jqi n ASP 161 Ca -0.15 -1.00 -0.25 0.00 -1.51 0.00 0.00 54.79 51.88 2jqi n ASP 161 Cb 0.52 0.00 0.17 0.00 2.34 0.00 0.00 41.12 44.15 2jqi n ASP 161 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2jqi n ARG 162 N -0.00 2.27 -3.59 -0.67 5.12 -1.26 -4.90 116.66 113.63 2jqi n ARG 162 Ca -0.00 -3.02 -0.40 0.00 -1.93 0.00 0.00 57.85 52.50 2jqi n ARG 162 Cb 0.00 -2.18 -0.11 0.00 -1.16 0.00 0.00 32.46 29.01 2jqi n ARG 162 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 2jqi s ILE 163 N -3.38 4.71 0.00 0.55 -5.25 -1.26 -5.37 121.20 111.20 2jqi s ILE 163 Ca 0.57 -0.66 0.00 0.00 -0.99 0.00 0.00 60.65 59.57 2jqi s ILE 163 Cb 0.48 -3.55 0.00 0.00 2.95 0.00 0.00 42.46 42.34 2jqi s ILE 163 CO 0.10 -0.14 0.00 -1.14 -1.79 0.00 0.00 174.94 171.97