#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 -0.13 0.00 -1.04 -1.26 -4.89 114.28 106.96 2jqi n THR 15 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 2jqi n THR 15 Cb 0.00 -0.11 -0.02 0.00 -1.82 0.00 0.00 70.33 68.39 2jqi n THR 15 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 2jqi h GLN 16 N 0.00 0.60 -0.63 -2.82 4.15 -2.06 -2.77 115.11 111.57 2jqi h GLN 16 Ca 0.00 -0.14 0.02 0.00 0.77 0.00 0.00 58.65 59.30 2jqi h GLN 16 Cb 0.00 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 2jqi h GLN 16 CO 0.00 0.63 0.42 0.00 -1.93 0.00 0.00 178.83 177.95 2jqi h ARG 17 N 0.45 0.77 -0.58 1.69 -0.00 -2.00 -2.18 114.38 112.53 2jqi h ARG 17 Ca 0.12 -0.05 0.01 0.00 -0.50 0.00 0.00 59.98 59.56 2jqi h ARG 17 Cb 0.31 -0.17 -0.03 0.00 0.00 0.00 0.00 29.97 30.07 2jqi h ARG 17 CO 0.00 0.51 0.39 0.35 0.00 0.00 0.00 179.97 181.21 2jqi h PHE 18 N 0.79 0.73 -0.53 3.04 3.04 -1.84 -0.53 116.94 121.64 2jqi h PHE 18 Ca 0.24 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.21 2jqi h PHE 18 Cb -0.00 -0.25 -0.03 0.00 2.56 0.00 0.00 35.95 38.24 2jqi h PHE 18 CO -0.00 0.46 0.35 1.25 -2.02 0.00 0.00 178.31 178.34 2jqi h LEU 19 N 0.79 0.62 -1.03 0.59 5.85 -1.27 -2.36 115.31 118.50 2jqi h LEU 19 Ca 0.22 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 2jqi h LEU 19 Cb -0.08 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 2jqi h LEU 19 CO -0.05 0.45 -0.13 0.40 -0.34 0.00 0.00 178.44 178.78 2jqi h ILE 20 N 0.72 1.24 -0.79 4.05 1.08 -1.22 -2.65 117.51 119.94 2jqi h ILE 20 Ca 0.19 -1.07 0.07 0.00 -0.39 0.00 0.00 64.86 63.67 2jqi h ILE 20 Cb -0.07 1.14 -0.05 0.00 -3.07 0.00 0.00 36.82 34.77 2jqi h ILE 20 CO -0.04 0.35 0.52 -0.08 -0.69 0.00 0.00 178.15 178.21 2jqi h GLU 21 N 0.51 0.79 0.00 2.37 4.81 -0.57 0.17 114.58 122.67 2jqi h GLU 21 Ca 0.09 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2jqi h GLU 21 Cb 0.52 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 2jqi h GLU 21 CO 0.03 0.52 -0.14 0.87 -0.73 0.00 0.00 179.01 179.56 2jqi h LYS 22 N 0.81 0.00 -0.38 1.92 1.57 -1.27 -3.01 116.57 116.21 2jqi h LYS 22 Ca 0.35 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.17 2jqi h LYS 22 Cb 0.30 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 2jqi h LYS 22 CO -0.12 0.14 0.13 0.35 -0.57 0.00 0.00 179.45 179.37 2jqi h PHE 23 N 0.00 0.23 -0.37 -1.35 3.04 -0.64 -2.11 116.94 115.74 2jqi h PHE 23 Ca -0.00 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.88 2jqi h PHE 23 Cb 0.47 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.92 2jqi h PHE 23 CO 0.00 0.09 -0.15 1.03 -2.02 0.00 0.00 178.31 177.26 2jqi h SER 24 N 0.28 0.65 -5.20 0.41 0.87 -1.58 -3.48 113.55 105.50 2jqi h SER 24 Ca 0.17 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2jqi h SER 24 Cb 0.15 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2jqi h SER 24 CO -0.18 0.82 -0.73 1.67 -0.53 0.00 0.00 176.83 177.87 2jqi n GLN 25 N -4.16 -2.92 -3.83 2.24 7.27 -0.79 -5.00 117.38 110.18 2jqi n GLN 25 Ca 0.01 2.45 -0.37 0.00 0.07 0.00 0.00 57.00 59.16 2jqi n GLN 25 Cb 0.37 -5.54 -0.06 0.00 2.41 0.00 0.00 30.24 27.42 2jqi n GLN 25 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2jqi s GLU 26 N -2.14 3.52 -0.61 3.69 2.12 -1.26 -5.05 118.70 118.96 2jqi s GLU 26 Ca 0.13 -0.06 -0.25 0.00 0.36 0.00 0.00 54.97 55.15 2jqi s GLU 26 Cb -0.04 -3.20 0.04 0.00 0.26 0.00 0.00 34.13 31.20 2jqi s GLU 26 CO 0.78 0.76 1.05 -0.65 -0.54 0.00 0.00 175.26 176.66 2jqi s GLN 27 N -1.00 3.29 0.17 4.30 1.11 -1.26 -5.01 119.66 121.26 2jqi s GLN 27 Ca 0.16 -0.28 -0.28 0.00 0.01 0.00 0.00 55.36 54.97 2jqi s GLN 27 Cb -0.13 -4.10 -0.08 0.00 -1.01 0.00 0.00 33.01 27.69 2jqi s GLN 27 CO 0.05 -1.71 0.87 0.42 0.01 0.00 0.00 175.29 174.93 2jqi s ILE 28 N 4.48 4.33 0.00 1.08 -1.09 -1.26 -4.77 121.20 123.96 2jqi s ILE 28 Ca 0.32 1.90 0.00 0.00 -2.23 0.00 0.00 60.65 60.64 2jqi s ILE 28 Cb -0.12 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.52 2jqi s ILE 28 CO 0.18 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.95 2jqi n GLY 29 N 1.77 0.47 0.10 6.18 0.00 -1.26 -4.97 105.19 107.47 2jqi n GLY 29 Ca -0.02 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 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 0.22 0.00 1.61 4.81 -2.01 -3.43 114.58 115.78 2jqi h GLU 30 Ca 0.00 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 2jqi h GLU 30 Cb 0.00 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2jqi h GLU 30 CO 0.00 1.17 0.00 0.09 -0.73 0.00 0.00 179.01 179.54 2jqi n ASN 31 N -3.49 0.00 -4.73 1.04 3.02 -1.26 -5.08 115.26 104.75 2jqi n ASN 31 Ca -0.07 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.06 2jqi n ASN 31 Cb 1.01 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 40.15 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 3.79 -0.13 2.41 -1.09 -1.26 -1.09 121.20 123.82 2jqi s ILE 32 Ca 0.00 1.45 -0.09 0.00 -2.23 0.00 0.00 60.65 59.78 2jqi s ILE 32 Cb 0.00 -3.93 -0.03 0.00 -1.58 0.00 0.00 42.46 36.92 2jqi s ILE 32 CO 0.00 0.21 -0.17 0.52 -1.23 0.00 0.00 174.94 174.26 2jqi n VAL 33 N 2.85 1.31 -3.82 2.92 0.31 0.40 -4.32 118.33 117.98 2jqi n VAL 33 Ca 0.05 0.24 -0.12 0.00 -0.01 0.00 0.00 64.34 64.50 2jqi n VAL 33 Cb 0.46 -2.32 -0.10 0.00 -0.91 0.00 0.00 33.84 30.97 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 -1.01 2.68 -0.23 0.00 1.81 0.38 -1.75 118.95 120.82 2jqi s ARG 35 Ca -0.11 -0.69 -0.07 0.00 -1.72 0.00 0.00 55.73 53.14 2jqi s ARG 35 Cb -0.05 -2.43 -0.03 0.00 -0.45 0.00 0.00 34.95 31.98 2jqi s ARG 35 CO 0.02 0.55 0.07 0.08 -0.68 0.00 0.00 175.30 175.34 2jqi s VAL 36 N -0.53 4.44 -0.12 3.52 1.01 -1.11 0.12 120.40 127.72 2jqi s VAL 36 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2jqi s VAL 36 Cb -0.12 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.23 2jqi s VAL 36 CO 0.02 0.37 -0.11 -0.63 0.00 0.00 0.00 175.10 174.74 2jqi s ILE 37 N 1.29 1.32 -0.33 2.22 1.01 0.30 -2.18 121.20 124.82 2jqi s ILE 37 Ca 0.05 -0.48 -0.29 0.00 0.00 0.00 0.00 60.65 59.92 2jqi s ILE 37 Cb -0.15 -1.26 0.02 0.00 0.01 0.00 0.00 42.46 41.08 2jqi s ILE 37 CO 0.04 0.41 1.09 0.00 0.00 0.00 0.00 174.94 176.48 2jqi h THR 39 N 5.79 0.56 0.00 0.00 1.03 -1.91 -3.30 112.91 115.09 2jqi h THR 39 Ca -0.21 -1.97 0.00 0.00 -0.01 0.00 0.00 66.41 64.22 2jqi h THR 39 Cb 1.06 2.11 0.00 0.00 -1.07 0.00 0.00 68.15 70.25 2jqi h THR 39 CO 1.04 0.32 0.00 0.35 -0.01 0.00 0.00 175.52 177.22 2jqi n THR 40 N -2.97 0.00 -2.61 0.00 -2.24 -1.25 -4.95 114.28 100.26 2jqi n THR 40 Ca -0.05 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.68 2jqi n THR 40 Cb 0.78 -0.50 0.01 0.00 -2.10 0.00 0.00 70.33 68.52 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 0.30 3.38 0.00 -1.24 -5.00 105.19 102.59 2jqi n GLY 41 Ca 0.20 0.78 0.00 0.00 0.00 0.00 0.00 46.02 47.00 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 -0.72 0.00 -4.99 1.61 6.02 -1.26 -5.12 117.38 112.92 2jqi n GLN 42 Ca 0.07 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.77 2jqi n GLN 42 Cb 0.40 -0.27 -0.15 0.00 1.02 0.00 0.00 30.24 31.24 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 -1.15 1.87 0.40 5.09 1.01 -1.26 -4.88 121.20 122.28 2jqi s ILE 43 Ca 0.00 -1.13 -0.25 0.00 0.00 0.00 0.00 60.65 59.27 2jqi s ILE 43 Cb 0.00 -1.58 -0.08 0.00 0.01 0.00 0.00 42.46 40.81 2jqi s ILE 43 CO 0.00 0.41 1.12 -2.16 0.00 0.00 0.00 174.94 174.31 2jqi s PRO 44 N -0.85 4.07 0.55 2.79 0.04 -1.26 -4.19 135.00 136.15 2jqi s PRO 44 Ca 0.09 1.69 -0.21 0.00 0.04 0.00 0.00 61.00 62.62 2jqi s PRO 44 Cb -0.09 -2.60 -0.06 0.00 0.04 0.00 0.00 34.50 31.79 2jqi s PRO 44 CO 0.00 -0.26 1.13 -0.89 0.04 0.00 0.00 177.00 177.02 2jqi n ILE 45 N -0.03 3.58 -4.19 0.56 5.41 -1.26 -4.85 119.36 118.58 2jqi n ILE 45 Ca 0.05 -0.50 -0.11 0.00 1.00 0.00 0.00 62.75 63.18 2jqi n ILE 45 Cb 0.48 -1.36 -0.10 0.00 -0.71 0.00 0.00 39.64 37.95 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 -2.70 0.92 -0.19 0.38 6.06 -0.93 -5.05 118.95 117.45 2jqi s ARG 46 Ca 0.72 -1.40 0.00 0.00 -2.50 0.00 0.00 55.73 52.56 2jqi s ARG 46 Cb -0.44 -0.23 0.02 0.00 0.06 0.00 0.00 34.95 34.36 2jqi s ARG 46 CO 0.49 -0.05 -0.17 0.16 -2.50 0.00 0.00 175.30 173.23 2jqi s ASP 47 N -3.09 3.36 -0.17 -2.12 1.47 -1.26 -2.76 116.67 112.10 2jqi s ASP 47 Ca 0.16 -0.63 -0.10 0.00 1.18 0.00 0.00 52.55 53.16 2jqi s ASP 47 Cb 0.05 -1.53 -0.05 0.00 -0.34 0.00 0.00 42.92 41.06 2jqi s ASP 47 CO -0.02 -0.01 0.17 -0.76 0.68 0.00 0.00 175.17 175.23 2jqi s LEU 48 N 1.32 4.26 0.07 2.11 1.43 -0.72 -5.04 118.68 122.12 2jqi s LEU 48 Ca 0.05 0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 53.42 2jqi s LEU 48 Cb -0.13 -2.15 -0.00 0.00 0.03 0.00 0.00 46.19 43.93 2jqi s LEU 48 CO -0.11 0.22 0.17 -0.94 0.23 0.00 0.00 176.35 175.92 2jqi s SER 49 N 0.02 0.13 0.00 2.29 1.04 -1.26 -0.46 113.70 115.46 2jqi s SER 49 Ca 0.12 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.95 2jqi s SER 49 Cb -0.12 0.31 -0.00 0.00 0.10 0.00 0.00 66.02 66.31 2jqi s SER 49 CO 0.01 -0.67 -0.01 0.00 0.98 0.00 0.00 173.24 173.55 2jqi s ALA 50 N -3.51 0.07 0.06 5.32 0.00 -0.25 -4.80 121.76 118.64 2jqi s ALA 50 Ca 0.02 -0.13 -0.26 0.00 0.00 0.00 0.00 51.96 51.60 2jqi s ALA 50 Cb 0.03 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 2jqi s ALA 50 CO -0.09 -0.02 0.82 -0.51 0.00 0.00 0.00 175.76 175.96 2jqi s ASP 51 N -0.27 7.28 0.12 0.00 1.11 -1.26 -4.69 116.67 118.97 2jqi s ASP 51 Ca -0.03 1.53 -0.16 0.00 0.18 0.00 0.00 52.55 54.07 2jqi s ASP 51 Cb -0.02 -2.50 -0.03 0.00 1.07 0.00 0.00 42.92 41.44 2jqi s ASP 51 CO -0.00 -0.01 1.62 0.40 1.18 0.00 0.00 175.17 178.35 2jqi h ILE 52 N 4.13 1.22 -0.90 0.77 1.08 -1.98 -1.59 117.51 120.23 2jqi h ILE 52 Ca -0.44 -0.75 0.00 0.00 -0.39 0.00 0.00 64.86 63.29 2jqi h ILE 52 Cb 1.21 1.03 -0.04 0.00 -3.07 0.00 0.00 36.82 35.95 2jqi h ILE 52 CO 0.71 0.25 0.57 0.28 -0.69 0.00 0.00 178.15 179.28 2jqi h SER 53 N 0.42 1.06 -0.19 1.72 0.02 -1.99 -0.57 113.55 114.03 2jqi h SER 53 Ca 0.11 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.90 2jqi h SER 53 Cb 0.29 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2jqi h SER 53 CO 0.00 0.79 -0.30 1.56 -1.14 0.00 0.00 176.83 177.74 2jqi h GLN 54 N 1.24 0.68 -0.11 3.45 1.08 -1.94 0.14 115.11 119.64 2jqi h GLN 54 Ca 0.33 -0.30 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 2jqi h GLN 54 Cb -0.10 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.31 2jqi h GLN 54 CO -0.07 0.90 0.01 0.28 -0.95 0.00 0.00 178.83 179.00 2jqi h VAL 55 N 0.58 1.24 -0.09 -0.54 2.07 -0.48 0.76 116.25 119.80 2jqi h VAL 55 Ca 0.07 -0.77 -0.14 0.00 0.82 0.00 0.00 66.70 66.68 2jqi h VAL 55 Cb 0.81 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 2jqi h VAL 55 CO 0.07 0.22 -0.54 0.25 0.02 0.00 0.00 177.57 177.58 2jqi h LEU 56 N -0.06 0.28 0.09 2.57 5.85 -1.09 -3.22 115.31 119.73 2jqi h LEU 56 Ca 0.03 -0.15 -0.22 0.00 0.84 0.00 0.00 57.88 58.38 2jqi h LEU 56 Cb 0.34 -0.08 0.02 0.00 0.37 0.00 0.00 40.66 41.31 2jqi h LEU 56 CO 0.00 0.77 -0.93 0.11 -0.34 0.00 0.00 178.44 178.06 2jqi h LYS 57 N 0.20 0.48 -6.32 1.25 1.57 -0.63 -3.44 116.57 109.67 2jqi h LYS 57 Ca 0.00 -0.63 -0.54 0.00 -1.87 0.00 0.00 60.65 57.62 2jqi h LYS 57 Cb 1.02 0.21 0.01 0.00 0.08 0.00 0.00 32.23 33.55 2jqi h LYS 57 CO 0.09 1.26 1.17 -2.00 -0.57 0.00 0.00 179.45 179.39 2jqi s GLU 58 N -2.92 4.16 -1.03 3.15 2.56 0.26 -4.92 118.70 119.97 2jqi s GLU 58 Ca -0.12 2.44 -0.03 0.00 0.00 0.00 0.00 54.97 57.27 2jqi s GLU 58 Cb 0.04 -4.08 0.30 0.00 2.00 0.00 0.00 34.13 32.39 2jqi s GLU 58 CO 0.87 -0.91 1.40 1.17 -0.56 0.00 0.00 175.26 177.23 2jqi n LYS 59 N 7.32 4.25 -4.11 4.30 0.00 -1.26 -4.88 118.16 123.78 2jqi n LYS 59 Ca 0.19 -4.57 -0.11 0.00 0.00 0.00 0.00 58.31 53.81 2jqi n LYS 59 Cb 0.42 -2.48 -0.07 0.00 0.00 0.00 0.00 35.03 32.89 2jqi n LYS 59 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2jqi s ARG 60 N -2.75 1.45 0.29 1.64 0.52 -1.26 -5.05 118.95 113.78 2jqi s ARG 60 Ca 0.32 -1.51 0.10 0.00 -0.52 0.00 0.00 55.73 54.11 2jqi s ARG 60 Cb 0.06 0.37 0.41 0.00 0.52 0.00 0.00 34.95 36.31 2jqi s ARG 60 CO 0.09 -0.55 1.65 0.66 0.02 0.00 0.00 175.30 177.17 2jqi h SER 61 N 2.39 0.06 -3.75 0.23 4.64 -2.02 -3.44 113.55 111.67 2jqi h SER 61 Ca -0.31 -0.03 -0.68 0.00 -0.47 0.00 0.00 61.79 60.30 2jqi h SER 61 Cb 1.25 -0.02 -0.19 0.00 -0.31 0.00 0.00 62.40 63.13 2jqi h SER 61 CO 0.44 0.61 -0.77 -0.51 -0.87 0.00 0.00 176.83 175.72 2jqi s ILE 62 N -3.78 3.07 -0.04 0.95 1.10 -1.26 -4.78 121.20 116.45 2jqi s ILE 62 Ca -0.02 -1.24 -0.05 0.00 -0.51 0.00 0.00 60.65 58.83 2jqi s ILE 62 Cb 0.13 -2.37 -0.02 0.00 0.15 0.00 0.00 42.46 40.36 2jqi s ILE 62 CO 0.76 0.22 -0.09 0.29 -2.11 0.00 0.00 174.94 174.01 2jqi n LYS 63 N 1.13 0.14 -3.71 3.50 4.76 -1.02 -4.98 118.16 117.99 2jqi n LYS 63 Ca -0.15 0.06 -0.11 0.00 -2.87 0.00 0.00 58.31 55.23 2jqi n LYS 63 Cb 0.52 -0.68 -0.11 0.00 -1.84 0.00 0.00 35.03 32.92 2jqi n LYS 63 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2jqi s LYS 64 N -1.58 0.37 -0.02 1.97 2.20 -1.17 -5.01 119.74 116.51 2jqi s LYS 64 Ca -0.08 0.72 0.05 0.00 -0.36 0.00 0.00 55.97 56.30 2jqi s LYS 64 Cb 0.01 -0.00 -0.01 0.00 -1.51 0.00 0.00 37.83 36.32 2jqi s LYS 64 CO 0.12 -0.14 -0.18 0.08 -0.36 0.00 0.00 175.35 174.86 2jqi s VAL 65 N 1.21 1.46 -0.11 4.02 1.01 -1.26 -0.32 120.40 126.41 2jqi s VAL 65 Ca -0.08 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 2jqi s VAL 65 Cb -0.08 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 2jqi s VAL 65 CO -0.10 0.41 0.08 0.26 0.00 0.00 0.00 175.10 175.75 2jqi s TRP 66 N -0.35 3.41 -0.15 5.22 0.51 0.57 -4.89 118.94 123.27 2jqi s TRP 66 Ca 0.05 0.38 -0.02 0.00 -2.12 0.00 0.00 56.10 54.39 2jqi s TRP 66 Cb -0.08 -1.89 -0.02 0.00 -0.81 0.00 0.00 33.47 30.67 2jqi s TRP 66 CO -0.00 0.61 -0.09 0.99 -0.51 0.00 0.00 176.95 177.94 2jqi s THR 67 N -0.90 3.33 0.05 2.01 2.01 -1.26 0.15 115.64 121.04 2jqi s THR 67 Ca 0.14 -0.55 0.09 0.00 0.31 0.00 0.00 61.69 61.67 2jqi s THR 67 Cb -0.12 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.93 2jqi s THR 67 CO 0.03 0.50 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.88 2jqi s PHE 68 N 0.47 2.42 -4.74 4.92 0.40 0.50 0.20 117.98 122.15 2jqi s PHE 68 Ca -0.07 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 2jqi s PHE 68 Cb -0.15 -1.41 0.00 0.00 0.51 0.00 0.00 43.02 41.97 2jqi s PHE 68 CO 0.04 0.20 0.00 0.41 0.70 0.00 0.00 175.22 176.57 2jqi n GLY 69 N 1.58 -1.08 0.26 4.36 0.00 -0.62 0.15 105.19 109.84 2jqi n GLY 69 Ca -0.17 -1.17 0.08 0.00 0.00 0.00 0.00 46.02 44.77 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 1.34 -2.98 1.61 1.74 0.29 -1.54 116.66 117.12 2jqi n ARG 70 Ca 0.00 -0.51 -0.40 0.00 -0.77 0.00 0.00 57.85 56.17 2jqi n ARG 70 Cb 0.00 -1.29 -0.05 0.00 -1.02 0.00 0.00 32.46 30.10 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 -1.46 7.15 0.29 0.55 3.84 0.11 -4.81 114.94 120.61 2jqi s ASN 71 Ca 0.26 1.37 0.23 0.00 0.21 0.00 0.00 52.86 54.93 2jqi s ASN 71 Cb 0.13 -2.46 1.07 0.00 -0.55 0.00 0.00 41.25 39.44 2jqi s ASN 71 CO 0.20 -0.06 1.69 -2.65 -2.79 0.00 0.00 177.10 173.50 2jqi n PRO 72 N 3.26 0.17 0.05 0.43 -0.02 -1.26 -1.78 135.00 135.86 2jqi n PRO 72 Ca -0.01 0.52 -0.21 0.00 -2.02 0.00 0.00 63.50 61.77 2jqi n PRO 72 Cb 0.51 -1.92 -0.15 0.00 -0.02 0.00 0.00 33.50 31.93 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 2.15 0.02 -1.29 3.55 0.00 -1.94 -3.47 119.26 118.28 2jqi h ALA 73 Ca 0.00 -0.90 -0.66 0.00 0.00 0.00 0.00 54.91 53.35 2jqi h ALA 73 Cb 0.21 0.28 0.10 0.00 0.00 0.00 0.00 17.79 18.39 2jqi h ALA 73 CO 0.00 0.64 -0.27 0.00 0.00 0.00 0.00 179.25 179.61 2jqi h ASP 75 N 1.54 0.00 -3.31 0.00 3.32 0.19 -3.38 116.42 114.78 2jqi h ASP 75 Ca -0.33 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.21 2jqi h ASP 75 Cb 1.41 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.61 2jqi h ASP 75 CO 0.59 0.00 -0.80 -0.47 -1.72 0.00 0.00 179.24 176.84 2jqi s TYR 76 N -3.97 1.38 -0.35 4.55 5.04 -0.41 -4.95 117.35 118.64 2jqi s TYR 76 Ca -0.04 -0.59 -0.11 0.00 -2.44 0.00 0.00 57.07 53.89 2jqi s TYR 76 Cb 0.09 -1.10 0.01 0.00 0.35 0.00 0.00 41.96 41.31 2jqi s TYR 76 CO 0.30 -0.38 0.20 -1.58 -1.34 0.00 0.00 175.55 172.75 2jqi s HIS 77 N 1.19 3.22 -0.68 4.97 2.46 -1.25 -1.59 115.29 123.61 2jqi s HIS 77 Ca -0.05 -0.67 0.05 0.00 0.47 0.00 0.00 55.06 54.86 2jqi s HIS 77 Cb -0.14 -2.43 0.23 0.00 -0.13 0.00 0.00 32.58 30.11 2jqi s HIS 77 CO -0.02 -0.53 0.70 1.47 -2.47 0.00 0.00 174.74 173.89 2jqi n LEU 78 N 5.03 3.66 0.00 8.88 -0.00 -0.59 -4.83 117.00 129.15 2jqi n LEU 78 Ca -0.13 -5.38 0.00 0.00 -0.00 0.00 0.00 56.01 50.51 2jqi n LEU 78 Cb 0.48 -0.72 0.00 0.00 -0.00 0.00 0.00 43.42 43.18 2jqi n LEU 78 CO 0.36 1.96 0.00 0.61 -0.00 0.00 0.00 177.39 180.32 2jqi n GLY 79 N 1.18 2.80 2.91 1.47 0.00 -1.26 -4.38 105.19 107.91 2jqi n GLY 79 Ca 0.27 -0.08 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 2jqi n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jqi s ASN 80 N -4.00 -1.26 -0.18 1.61 4.22 -1.26 -4.52 114.94 109.55 2jqi s ASN 80 Ca 0.00 -1.44 -0.14 0.00 -2.14 0.00 0.00 52.86 49.14 2jqi s ASN 80 Cb 0.00 1.78 -0.05 0.00 1.28 0.00 0.00 41.25 44.26 2jqi s ASN 80 CO 0.00 -0.11 0.28 -0.63 -2.04 0.00 0.00 177.10 174.61 2jqi s ILE 81 N 1.21 5.30 0.54 0.54 1.09 -1.26 -4.96 121.20 123.66 2jqi s ILE 81 Ca 0.25 0.51 0.23 0.00 -1.10 0.00 0.00 60.65 60.53 2jqi s ILE 81 Cb -0.02 -3.62 0.34 0.00 -1.06 0.00 0.00 42.46 38.10 2jqi s ILE 81 CO -0.06 0.36 2.08 -1.28 -0.10 0.00 0.00 174.94 175.94 2jqi h SER 82 N 6.90 0.00 0.86 3.58 0.87 -2.00 0.28 113.55 124.05 2jqi h SER 82 Ca -0.40 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.05 2jqi h SER 82 Cb 1.16 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.11 2jqi h SER 82 CO 0.74 0.00 -0.55 0.03 -0.53 0.00 0.00 176.83 176.52 2jqi h ARG 83 N 0.00 0.00 -6.00 2.24 -0.00 -1.92 -3.44 114.38 105.26 2jqi h ARG 83 Ca 0.12 0.00 -0.58 0.00 -0.50 0.00 0.00 59.98 59.02 2jqi h ARG 83 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.45 2jqi h ARG 83 CO -0.00 0.55 -0.46 -0.51 0.00 0.00 0.00 179.97 179.54 2jqi s LEU 84 N -7.13 4.34 0.46 3.04 1.43 0.09 -4.45 118.68 116.45 2jqi s LEU 84 Ca 0.00 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.39 2jqi s LEU 84 Cb 0.11 -2.98 0.01 0.00 0.03 0.00 0.00 46.19 43.36 2jqi s LEU 84 CO 0.74 0.10 0.66 -0.94 0.23 0.00 0.00 176.35 177.14 2jqi s SER 85 N -2.82 5.68 0.21 2.29 1.04 -1.26 -4.65 113.70 114.19 2jqi s SER 85 Ca 0.35 0.06 -0.19 0.00 0.48 0.00 0.00 55.95 56.65 2jqi s SER 85 Cb -0.12 -1.22 0.18 0.00 0.10 0.00 0.00 66.02 64.96 2jqi s SER 85 CO 0.28 -0.79 1.57 0.78 0.98 0.00 0.00 173.24 176.07 2jqi h ASN 86 N 0.41 -1.23 -3.57 7.02 -0.26 -1.92 -2.72 115.58 113.30 2jqi h ASN 86 Ca -0.44 0.26 -0.63 0.00 -0.56 0.00 0.00 56.30 54.92 2jqi h ASN 86 Cb 1.27 0.64 -0.41 0.00 -1.06 0.00 0.00 38.32 38.76 2jqi h ASN 86 CO 0.54 -0.30 -0.55 -0.54 -1.06 0.00 0.00 177.43 175.52 2jqi s LYS 87 N -5.99 2.37 0.15 0.81 3.01 -1.26 0.11 119.74 118.92 2jqi s LYS 87 Ca -0.14 -3.09 -0.17 0.00 -1.01 0.00 0.00 55.97 51.56 2jqi s LYS 87 Cb 0.18 -3.44 -0.00 0.00 -1.01 0.00 0.00 37.83 33.56 2jqi s LYS 87 CO 0.70 -1.22 1.80 1.25 0.51 0.00 0.00 175.35 178.39 2jqi h HIS 88 N 5.84 0.47 -3.96 3.18 2.76 0.17 -3.35 115.15 120.26 2jqi h HIS 88 Ca 0.07 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.15 2jqi h HIS 88 Cb 0.81 -0.16 -0.14 0.00 1.55 0.00 0.00 27.41 29.47 2jqi h HIS 88 CO 0.64 0.31 -0.47 -0.59 -1.30 0.00 0.00 177.93 176.51 2jqi s PHE 89 N -6.10 0.29 0.00 5.26 -0.71 -0.32 0.14 117.98 116.54 2jqi s PHE 89 Ca -0.13 -0.76 0.02 0.00 -1.04 0.00 0.00 56.93 55.02 2jqi s PHE 89 Cb 0.10 -0.17 -0.01 0.00 -1.21 0.00 0.00 43.02 41.73 2jqi s PHE 89 CO 0.72 -0.50 -0.06 -1.14 -1.34 0.00 0.00 175.22 172.91 2jqi s GLN 90 N -3.89 0.46 -0.10 1.99 0.74 0.44 0.19 119.66 119.50 2jqi s GLN 90 Ca 0.06 -0.27 0.03 0.00 0.05 0.00 0.00 55.36 55.23 2jqi s GLN 90 Cb 0.06 -0.42 -0.01 0.00 1.10 0.00 0.00 33.01 33.74 2jqi s GLN 90 CO -0.10 0.11 -0.19 0.42 -0.55 0.00 0.00 175.29 174.98 2jqi s ILE 91 N -0.29 2.51 0.12 -2.34 1.01 0.40 0.16 121.20 122.78 2jqi s ILE 91 Ca 0.01 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 59.85 2jqi s ILE 91 Cb -0.03 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 2jqi s ILE 91 CO -0.00 0.55 -0.04 -1.48 0.00 0.00 0.00 174.94 173.98 2jqi s LEU 92 N 0.12 3.27 -0.13 2.97 2.34 -0.00 0.21 118.68 127.46 2jqi s LEU 92 Ca -0.10 -0.33 0.01 0.00 0.06 0.00 0.00 54.13 53.78 2jqi s LEU 92 Cb -0.16 -1.99 0.02 0.00 -0.56 0.00 0.00 46.19 43.50 2jqi s LEU 92 CO 0.06 0.15 -0.15 -0.22 -1.06 0.00 0.00 176.35 175.13 2jqi s LEU 93 N -2.50 1.69 0.34 1.48 1.98 0.57 -1.57 118.68 120.67 2jqi s LEU 93 Ca 0.25 -0.45 0.07 0.00 -2.89 0.00 0.00 54.13 51.10 2jqi s LEU 93 Cb -0.11 -1.12 -0.01 0.00 0.66 0.00 0.00 46.19 45.61 2jqi s LEU 93 CO 0.17 -0.02 0.48 -0.83 -1.89 0.00 0.00 176.35 174.26 2jqi s GLY 94 N 1.23 1.61 0.51 7.98 0.00 -1.26 -2.43 107.32 114.96 2jqi s GLY 94 Ca -0.01 -1.46 0.17 0.00 0.00 0.00 0.00 44.72 43.42 2jqi s GLY 94 CO -0.06 -1.37 2.10 1.05 0.00 0.00 0.00 173.10 174.82 2jqi h GLU 95 N 0.87 0.05 0.00 2.90 4.11 -1.91 -3.43 114.58 117.17 2jqi h GLU 95 Ca -0.45 -0.00 -0.26 0.00 0.07 0.00 0.00 59.36 58.71 2jqi h GLU 95 Cb 1.26 -0.01 0.16 0.00 0.50 0.00 0.00 28.75 30.65 2jqi h GLU 95 CO 0.52 0.03 -0.13 -0.25 0.07 0.00 0.00 179.01 179.26 2jqi n ASP 96 N -4.50 -3.57 -1.91 3.06 9.92 -1.26 -4.88 116.55 113.42 2jqi n ASP 96 Ca 0.01 -0.64 -0.17 0.00 -0.53 0.00 0.00 54.79 53.46 2jqi n ASP 96 Cb 0.22 -0.76 0.14 0.00 -0.64 0.00 0.00 41.12 40.08 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 -3.99 3.83 2.87 0.44 0.00 -1.26 -4.92 105.19 102.16 2jqi n GLY 97 Ca 0.10 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.70 0.59 -4.24 1.61 3.02 -1.26 -4.93 115.26 109.36 2jqi n ASN 98 Ca 0.44 -2.89 -0.14 0.00 -0.03 0.00 0.00 54.58 51.97 2jqi n ASN 98 Cb 1.37 1.08 -0.10 0.00 -0.61 0.00 0.00 39.78 41.52 2jqi n ASN 98 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2jqi s LEU 99 N 0.00 2.52 0.02 3.41 1.02 -1.26 -4.16 118.68 120.23 2jqi s LEU 99 Ca 0.23 -1.02 0.05 0.00 0.02 0.00 0.00 54.13 53.42 2jqi s LEU 99 Cb 0.01 -0.30 -0.02 0.00 0.02 0.00 0.00 46.19 45.90 2jqi s LEU 99 CO 0.17 -0.36 -0.14 -0.76 0.02 0.00 0.00 176.35 175.28 2jqi s LEU 100 N -3.15 2.13 -0.16 1.79 1.43 -0.61 -1.78 118.68 118.33 2jqi s LEU 100 Ca 0.16 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2jqi s LEU 100 Cb 0.03 -0.65 -0.02 0.00 0.03 0.00 0.00 46.19 45.59 2jqi s LEU 100 CO -0.00 0.08 -0.09 -0.76 0.23 0.00 0.00 176.35 175.81 2jqi s LEU 101 N -0.89 2.86 -0.22 1.79 1.43 0.04 -0.82 118.68 122.87 2jqi s LEU 101 Ca 0.03 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 2jqi s LEU 101 Cb -0.07 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.51 2jqi s LEU 101 CO 0.01 0.12 -0.14 0.21 0.23 0.00 0.00 176.35 176.78 2jqi s ASN 102 N 0.63 3.85 0.21 2.29 2.47 0.42 -1.93 114.94 122.89 2jqi s ASN 102 Ca -0.05 -0.96 -0.30 0.00 0.42 0.00 0.00 52.86 51.97 2jqi s ASN 102 Cb -0.15 -1.55 -0.08 0.00 -1.45 0.00 0.00 41.25 38.02 2jqi s ASN 102 CO 0.03 -0.09 0.98 1.51 -3.72 0.00 0.00 177.10 175.80 2jqi s ASP 103 N 1.23 7.53 -0.28 -4.21 1.47 -1.25 0.17 116.67 121.32 2jqi s ASP 103 Ca -0.01 1.97 0.20 0.00 1.18 0.00 0.00 52.55 55.89 2jqi s ASP 103 Cb -0.16 -2.61 0.48 0.00 -0.34 0.00 0.00 42.92 40.29 2jqi s ASP 103 CO -0.08 0.03 1.23 2.30 0.68 0.00 0.00 175.17 179.33 2jqi n ILE 104 N 1.83 0.90 -3.89 2.11 -5.35 -0.55 0.23 119.36 114.64 2jqi n ILE 104 Ca -0.00 -2.38 -0.30 0.00 -0.27 0.00 0.00 62.75 59.80 2jqi n ILE 104 Cb 0.47 1.21 -0.04 0.00 -1.74 0.00 0.00 39.64 39.54 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 -3.03 6.37 0.32 7.28 0.01 0.37 -4.19 113.70 120.84 2jqi s SER 105 Ca 0.22 0.29 0.09 0.00 1.31 0.00 0.00 55.95 57.86 2jqi s SER 105 Cb 0.36 -1.97 0.53 0.00 0.21 0.00 0.00 66.02 65.15 2jqi s SER 105 CO -0.06 0.13 1.74 0.74 0.41 0.00 0.00 173.24 176.19 2jqi h THR 106 N 1.99 1.30 0.00 1.44 2.02 -1.87 -3.13 112.91 114.66 2jqi h THR 106 Ca -0.46 -1.47 0.00 0.00 0.77 0.00 0.00 66.41 65.25 2jqi h THR 106 Cb 1.17 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 2jqi h THR 106 CO 0.74 0.43 -1.79 0.59 0.37 0.00 0.00 175.52 175.87 2jqi n ASN 107 N -4.04 0.18 0.00 4.18 3.02 -1.26 -5.09 115.26 112.25 2jqi n ASN 107 Ca -0.02 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 2jqi n ASN 107 Cb 0.46 1.69 0.00 0.00 -0.61 0.00 0.00 39.78 41.32 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 3.17 3.37 7.41 0.00 -1.18 -4.85 105.19 114.35 2jqi n GLY 108 Ca -0.03 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.73 2.53 0.09 2.61 2.01 -1.26 -4.36 115.64 114.53 2jqi s THR 109 Ca 0.00 -0.91 0.08 0.00 0.31 0.00 0.00 61.69 61.17 2jqi s THR 109 Cb 0.00 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 2jqi s THR 109 CO 0.00 0.58 -0.17 0.26 -0.69 0.00 0.00 174.62 174.60 2jqi s TRP 110 N -0.44 2.57 -0.21 4.92 0.51 0.34 -2.36 118.94 124.27 2jqi s TRP 110 Ca 0.05 -0.24 0.01 0.00 -2.12 0.00 0.00 56.10 53.79 2jqi s TRP 110 Cb -0.12 -1.39 0.05 0.00 -0.81 0.00 0.00 33.47 31.20 2jqi s TRP 110 CO 0.01 0.36 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.54 2jqi s LEU 111 N -1.95 2.43 -1.68 2.99 2.96 0.11 0.14 118.68 123.68 2jqi s LEU 111 Ca 0.17 -0.98 -0.14 0.00 -0.22 0.00 0.00 54.13 52.97 2jqi s LEU 111 Cb -0.11 -1.26 0.13 0.00 0.50 0.00 0.00 46.19 45.45 2jqi s LEU 111 CO 0.09 -0.16 0.54 0.59 -1.32 0.00 0.00 176.35 176.09 2jqi n ASN 112 N 4.66 -1.67 0.00 3.68 3.02 -1.03 0.89 115.26 124.81 2jqi n ASN 112 Ca -0.14 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.28 2jqi n ASN 112 Cb 0.46 -2.29 0.00 0.00 -0.61 0.00 0.00 39.78 37.34 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 -1.61 2.11 3.47 7.41 0.00 -1.26 -5.01 105.19 110.30 2jqi n GLY 113 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.42 3.60 0.10 1.61 2.00 0.26 -5.07 119.66 121.74 2jqi s GLN 114 Ca 0.00 -0.53 -0.31 0.00 -2.00 0.00 0.00 55.36 52.52 2jqi s GLN 114 Cb 0.00 -3.47 -0.07 0.00 0.80 0.00 0.00 33.01 30.27 2jqi s GLN 114 CO 0.00 -0.26 1.28 0.21 -0.50 0.00 0.00 175.29 176.02 2jqi s LYS 115 N 1.64 4.39 0.30 1.67 2.20 -1.26 0.08 119.74 128.75 2jqi s LYS 115 Ca 0.06 1.91 0.06 0.00 -0.36 0.00 0.00 55.97 57.64 2jqi s LYS 115 Cb -0.16 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 32.85 2jqi s LYS 115 CO 0.06 -0.31 0.42 0.14 -0.36 0.00 0.00 175.35 175.30 2jqi s VAL 116 N 0.94 4.55 -0.00 4.02 -7.23 -1.00 -4.92 120.40 116.76 2jqi s VAL 116 Ca 0.60 -1.00 -0.30 0.00 -1.81 0.00 0.00 61.98 59.48 2jqi s VAL 116 Cb -0.33 -3.59 -0.06 0.00 0.56 0.00 0.00 36.38 32.96 2jqi s VAL 116 CO 0.31 -0.23 1.44 -1.83 -0.31 0.00 0.00 175.10 174.48 2jqi s GLU 117 N -4.09 4.27 0.97 4.82 1.03 -1.26 -4.63 118.70 119.80 2jqi s GLU 117 Ca 0.41 2.01 -0.14 0.00 0.03 0.00 0.00 54.97 57.28 2jqi s GLU 117 Cb -0.09 -3.61 0.02 0.00 -0.80 0.00 0.00 34.13 29.65 2jqi s GLU 117 CO 0.30 -0.61 0.22 1.17 -1.33 0.00 0.00 175.26 175.01 2jqi n LYS 118 N 5.54 -0.38 -2.77 -4.83 4.81 -1.26 -2.22 118.16 117.04 2jqi n LYS 118 Ca 0.14 -0.08 -0.15 0.00 -0.87 0.00 0.00 58.31 57.35 2jqi n LYS 118 Cb 0.43 -1.75 -0.03 0.00 0.02 0.00 0.00 35.03 33.71 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 -0.82 -1.00 -4.56 3.14 0.23 0.63 -4.85 115.26 108.03 2jqi n ASN 119 Ca 0.05 -0.24 -0.31 0.00 -0.53 0.00 0.00 54.58 53.55 2jqi n ASN 119 Cb 0.55 -0.92 -0.11 0.00 -2.08 0.00 0.00 39.78 37.22 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 -2.00 4.40 -0.08 0.53 0.15 -0.94 -4.90 113.70 110.86 2jqi s SER 120 Ca 0.29 -0.24 -0.24 0.00 0.70 0.00 0.00 55.95 56.45 2jqi s SER 120 Cb -0.17 -0.94 -0.03 0.00 -1.71 0.00 0.00 66.02 63.17 2jqi s SER 120 CO 0.35 0.26 0.76 0.20 1.20 0.00 0.00 173.24 176.01 2jqi s ASN 121 N -1.52 7.02 0.06 5.45 -0.87 -1.26 -3.92 114.94 119.88 2jqi s ASN 121 Ca 0.17 1.23 0.05 0.00 -1.57 0.00 0.00 52.86 52.74 2jqi s ASN 121 Cb -0.11 -2.44 -0.03 0.00 -0.02 0.00 0.00 41.25 38.66 2jqi s ASN 121 CO 0.08 -0.19 -0.15 -1.10 -2.57 0.00 0.00 177.10 173.16 2jqi s GLN 122 N 1.12 0.95 -0.13 -0.60 -1.52 -0.81 -4.91 119.66 113.75 2jqi s GLN 122 Ca 0.39 -0.88 -0.29 0.00 -1.95 0.00 0.00 55.36 52.63 2jqi s GLN 122 Cb -0.18 -0.99 -0.03 0.00 -0.22 0.00 0.00 33.01 31.59 2jqi s GLN 122 CO 0.18 0.24 1.37 -1.17 -0.25 0.00 0.00 175.29 175.66 2jqi s LEU 123 N -1.42 4.22 0.86 2.90 0.20 -1.26 -0.78 118.68 123.40 2jqi s LEU 123 Ca 0.01 1.85 -0.13 0.00 0.69 0.00 0.00 54.13 56.55 2jqi s LEU 123 Cb -0.09 -3.54 0.07 0.00 -0.43 0.00 0.00 46.19 42.20 2jqi s LEU 123 CO 0.02 -0.81 0.90 -0.11 -0.29 0.00 0.00 176.35 176.06 2jqi n LEU 124 N 6.73 2.50 -4.33 -0.68 7.94 -0.73 -4.90 117.00 123.54 2jqi n LEU 124 Ca 0.15 0.49 -0.23 0.00 -1.11 0.00 0.00 56.01 55.30 2jqi n LEU 124 Cb 0.44 -1.39 -0.12 0.00 0.53 0.00 0.00 43.42 42.89 2jqi n LEU 124 CO 0.58 -2.49 -0.50 -0.44 -1.11 0.00 0.00 177.39 173.43 2jqi s SER 125 N -2.12 2.73 -0.08 1.96 0.01 -1.26 -4.93 113.70 110.02 2jqi s SER 125 Ca 0.67 -0.80 -0.30 0.00 1.31 0.00 0.00 55.95 56.83 2jqi s SER 125 Cb -0.27 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 65.76 2jqi s SER 125 CO 0.58 0.02 1.41 -1.58 0.41 0.00 0.00 173.24 174.07 2jqi s GLN 126 N -2.47 4.24 -1.82 12.44 -0.44 -1.26 -2.66 119.66 127.68 2jqi s GLN 126 Ca 0.13 1.90 0.00 0.00 -2.50 0.00 0.00 55.36 54.89 2jqi s GLN 126 Cb -0.07 -3.76 0.00 0.00 -1.64 0.00 0.00 33.01 27.53 2jqi s GLN 126 CO 0.06 -0.69 0.00 0.41 0.50 0.00 0.00 175.29 175.57 2jqi n GLY 127 N 3.75 0.75 3.27 2.59 0.00 -0.86 -4.94 105.19 109.75 2jqi n GLY 127 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.52 -3.15 -3.78 1.61 2.03 -0.86 -4.50 116.55 106.38 2jqi n ASP 128 Ca -0.20 -0.53 -0.13 0.00 0.52 0.00 0.00 54.79 54.45 2jqi n ASP 128 Cb 0.64 -1.04 -0.13 0.00 -0.72 0.00 0.00 41.12 39.87 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 -4.47 0.18 -0.15 -0.67 2.02 -1.26 0.66 118.70 115.02 2jqi s GLU 129 Ca 0.62 0.34 -0.01 0.00 0.02 0.00 0.00 54.97 55.94 2jqi s GLU 129 Cb -0.16 -0.01 -0.01 0.00 0.10 0.00 0.00 34.13 34.05 2jqi s GLU 129 CO 0.57 -0.09 -0.10 0.42 0.02 0.00 0.00 175.26 176.08 2jqi s ILE 130 N 0.60 3.20 -0.11 -1.63 1.01 0.32 -2.46 121.20 122.14 2jqi s ILE 130 Ca -0.04 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 59.97 2jqi s ILE 130 Cb -0.06 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 2jqi s ILE 130 CO -0.03 0.50 0.06 -0.89 0.00 0.00 0.00 174.94 174.58 2jqi s THR 131 N 0.55 4.78 0.05 2.92 2.01 0.37 0.35 115.64 126.67 2jqi s THR 131 Ca -0.07 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.85 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 0.60 -0.02 0.68 -0.69 0.00 0.00 174.62 175.22 2jqi s VAL 132 N -0.80 0.20 0.00 3.82 -7.23 0.27 0.13 120.40 116.79 2jqi s VAL 132 Ca 0.13 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 2jqi s VAL 132 Cb -0.12 -1.32 0.00 0.00 0.56 0.00 0.00 36.38 35.51 2jqi s VAL 132 CO 0.03 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.52 2jqi n GLY 133 N 0.34 0.81 3.76 2.32 0.00 -1.26 0.67 105.19 111.83 2jqi n GLY 133 Ca -0.16 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.18 3.57 0.00 1.61 1.01 -1.26 -3.49 120.40 119.66 2jqi s VAL 134 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.54 2jqi s VAL 134 Cb 0.00 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2jqi s VAL 134 CO 0.00 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2jqi n GLY 135 N 1.16 2.76 3.01 4.51 0.00 -1.26 -4.97 105.19 110.41 2jqi n GLY 135 Ca -0.01 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 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 0.48 1.61 1.01 -1.26 -5.01 120.40 118.60 2jqi s VAL 136 Ca 0.00 -0.54 0.26 0.00 0.00 0.00 0.00 61.98 61.70 2jqi s VAL 136 Cb 0.00 -1.29 0.45 0.00 0.00 0.00 0.00 36.38 35.54 2jqi s VAL 136 CO 0.00 0.42 1.84 -0.08 0.00 0.00 0.00 175.10 177.28 2jqi h GLU 137 N 7.71 0.17 -0.34 2.72 4.81 -1.98 0.59 114.58 128.26 2jqi h GLU 137 Ca -0.33 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2jqi h GLU 137 Cb 1.16 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2jqi h GLU 137 CO 0.48 0.11 0.00 0.45 -0.73 0.00 0.00 179.01 179.32 2jqi n SER 138 N -4.39 2.49 -0.83 1.04 2.88 -1.26 -4.20 113.62 109.35 2jqi n SER 138 Ca 0.22 -1.89 0.06 0.00 -1.33 0.00 0.00 58.87 55.92 2jqi n SER 138 Cb 0.94 -0.22 0.15 0.00 -0.75 0.00 0.00 64.21 64.33 2jqi n SER 138 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2jqi n ASP 139 N 0.86 1.51 -4.66 -3.46 -0.08 0.21 -5.04 116.55 105.89 2jqi n ASP 139 Ca 0.17 -3.32 -0.35 0.00 -1.51 0.00 0.00 54.79 49.78 2jqi n ASP 139 Cb 0.43 -0.46 -0.10 0.00 2.34 0.00 0.00 41.12 43.34 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 -2.28 4.24 -0.05 5.18 1.01 -1.19 -4.41 121.20 123.70 2jqi s ILE 140 Ca 0.36 -0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.79 2jqi s ILE 140 Cb 0.37 -2.79 -0.00 0.00 0.01 0.00 0.00 42.46 40.05 2jqi s ILE 140 CO -0.09 0.59 -0.19 -0.22 0.00 0.00 0.00 174.94 175.03 2jqi s LEU 141 N -0.77 1.94 0.11 2.97 0.20 0.21 -4.96 118.68 118.38 2jqi s LEU 141 Ca 0.12 -0.40 0.07 0.00 0.69 0.00 0.00 54.13 54.61 2jqi s LEU 141 Cb -0.11 -1.08 -0.04 0.00 -0.43 0.00 0.00 46.19 44.52 2jqi s LEU 141 CO 0.02 0.16 -0.09 -0.55 -0.29 0.00 0.00 176.35 175.60 2jqi s SER 142 N 0.07 4.43 0.04 3.68 0.15 -1.26 0.96 113.70 121.77 2jqi s SER 142 Ca -0.06 -0.38 0.03 0.00 0.70 0.00 0.00 55.95 56.24 2jqi s SER 142 Cb -0.13 -0.85 -0.02 0.00 -1.71 0.00 0.00 66.02 63.30 2jqi s SER 142 CO 0.03 0.17 -0.10 -0.76 1.20 0.00 0.00 173.24 173.79 2jqi s LEU 143 N -2.26 2.23 -0.09 3.45 1.02 0.16 -3.76 118.68 119.43 2jqi s LEU 143 Ca 0.22 -0.51 0.02 0.00 0.02 0.00 0.00 54.13 53.88 2jqi s LEU 143 Cb -0.11 -0.31 -0.02 0.00 0.02 0.00 0.00 46.19 45.77 2jqi s LEU 143 CO 0.14 -0.12 -0.14 -0.69 0.02 0.00 0.00 176.35 175.57 2jqi s VAL 144 N -1.17 3.07 -0.23 -1.59 1.01 0.36 0.12 120.40 121.97 2jqi s VAL 144 Ca -0.06 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 2jqi s VAL 144 Cb -0.09 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 2jqi s VAL 144 CO 0.01 0.56 0.05 -0.63 0.00 0.00 0.00 175.10 175.09 2jqi s ILE 145 N -0.25 4.31 -0.22 2.22 1.01 0.21 0.11 121.20 128.59 2jqi s ILE 145 Ca 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.44 2jqi s ILE 145 Cb -0.13 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.34 2jqi s ILE 145 CO 0.03 0.38 -0.03 0.12 0.00 0.00 0.00 174.94 175.43 2jqi s PHE 146 N 1.26 2.97 0.04 3.97 2.19 0.32 -2.03 117.98 126.69 2jqi s PHE 146 Ca 0.04 -0.86 -0.25 0.00 0.33 0.00 0.00 56.93 56.19 2jqi s PHE 146 Cb -0.15 -2.11 -0.05 0.00 -1.31 0.00 0.00 43.02 39.41 2jqi s PHE 146 CO 0.03 -0.51 0.77 0.42 1.83 0.00 0.00 175.22 177.77 2jqi s ILE 147 N 1.43 4.75 -0.17 3.12 1.01 -1.26 0.14 121.20 130.22 2jqi s ILE 147 Ca 0.05 1.64 -0.25 0.00 0.00 0.00 0.00 60.65 62.09 2jqi s ILE 147 Cb -0.14 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.19 2jqi s ILE 147 CO -0.02 0.35 0.84 0.21 0.00 0.00 0.00 174.94 176.31 2jqi s ASN 148 N 0.05 6.95 0.44 3.58 2.47 -1.08 -4.93 114.94 122.42 2jqi s ASN 148 Ca 0.39 1.17 0.30 0.00 0.42 0.00 0.00 52.86 55.14 2jqi s ASN 148 Cb -0.20 -2.46 1.18 0.00 -1.45 0.00 0.00 41.25 38.32 2jqi s ASN 148 CO 0.23 -0.41 1.87 0.44 -3.72 0.00 0.00 177.10 175.51 2jqi h ASP 149 N 7.35 0.00 -0.62 -4.21 3.32 -1.91 -3.10 116.42 117.26 2jqi h ASP 149 Ca -0.29 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.81 2jqi h ASP 149 Cb 1.13 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.63 2jqi h ASP 149 CO 0.84 0.00 0.35 0.11 -1.72 0.00 0.00 179.24 178.82 2jqi h LYS 150 N 0.00 0.65 -0.62 3.56 1.79 -1.91 -0.58 116.57 119.46 2jqi h LYS 150 Ca 0.00 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.46 2jqi h LYS 150 Cb 0.49 -0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 30.95 2jqi h LYS 150 CO 0.00 0.43 0.38 0.35 -1.08 0.00 0.00 179.45 179.53 2jqi h PHE 151 N 0.67 0.72 -0.27 -1.35 3.57 -1.73 -1.06 116.94 117.49 2jqi h PHE 151 Ca 0.27 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.72 2jqi h PHE 151 Cb 0.12 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 2jqi h PHE 151 CO -0.07 0.41 -0.12 -0.22 -2.23 0.00 0.00 178.31 176.08 2jqi h LYS 152 N 0.75 0.44 -0.18 1.11 3.64 -1.52 -2.47 116.57 118.35 2jqi h LYS 152 Ca 0.25 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 2jqi h LYS 152 Cb 0.02 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2jqi h LYS 152 CO -0.10 0.56 -0.07 0.37 -2.27 0.00 0.00 179.45 177.94 2jqi h GLN 153 N 0.41 0.38 -0.41 1.90 -0.00 -0.28 -2.40 115.11 114.71 2jqi h GLN 153 Ca 0.08 -0.16 0.01 0.00 -0.00 0.00 0.00 58.65 58.58 2jqi h GLN 153 Cb 0.46 -0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.90 2jqi h GLN 153 CO 0.03 0.66 0.27 0.00 0.00 0.00 0.00 178.83 179.79 2jqi h LEU 155 N 0.54 1.05 -0.57 0.00 -0.00 -1.45 0.85 115.31 115.75 2jqi h LEU 155 Ca 0.15 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 57.98 2jqi h LEU 155 Cb -0.06 -0.26 -0.03 0.00 -0.00 0.00 0.00 40.66 40.32 2jqi h LEU 155 CO -0.04 0.76 0.27 -0.33 -0.00 0.00 0.00 178.44 179.11 2jqi h GLU 156 N 1.24 0.82 0.12 1.13 4.39 -0.94 -3.00 114.58 118.34 2jqi h GLU 156 Ca 0.34 -0.12 -0.28 0.00 0.34 0.00 0.00 59.36 59.64 2jqi h GLU 156 Cb -0.14 -0.15 0.02 0.00 -0.10 0.00 0.00 28.75 28.38 2jqi h GLU 156 CO -0.07 0.67 -1.21 0.37 -1.16 0.00 0.00 179.01 177.60 2jqi h GLN 157 N 0.77 0.43 -6.99 2.33 4.15 -0.86 -3.47 115.11 111.46 2jqi h GLN 157 Ca 0.20 -0.62 -0.60 0.00 0.77 0.00 0.00 58.65 58.40 2jqi h GLN 157 Cb 0.12 0.21 -0.26 0.00 0.21 0.00 0.00 27.48 27.76 2jqi h GLN 157 CO -0.02 1.27 -0.91 0.27 -1.93 0.00 0.00 178.83 177.50 2jqi n ASN 158 N -3.67 -1.19 -4.62 -0.69 0.23 0.29 -4.79 115.26 100.82 2jqi n ASN 158 Ca -0.11 -1.18 -0.43 0.00 -0.53 0.00 0.00 54.58 52.34 2jqi n ASN 158 Cb 0.98 -2.02 -0.03 0.00 -2.08 0.00 0.00 39.78 36.64 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 -7.14 3.59 0.08 -3.83 2.20 -1.26 -4.95 119.74 108.43 2jqi s LYS 159 Ca 0.48 2.04 -0.30 0.00 -0.36 0.00 0.00 55.97 57.83 2jqi s LYS 159 Cb -0.28 -4.22 -0.05 0.00 -1.51 0.00 0.00 37.83 31.77 2jqi s LYS 159 CO 0.98 -1.57 1.09 0.14 -0.36 0.00 0.00 175.35 175.63 2jqi s VAL 160 N 6.36 4.27 0.80 4.02 -7.23 -1.26 -5.04 120.40 122.32 2jqi s VAL 160 Ca 0.88 1.73 -0.13 0.00 -1.81 0.00 0.00 61.98 62.64 2jqi s VAL 160 Cb -0.33 -4.11 0.20 0.00 0.56 0.00 0.00 36.38 32.70 2jqi s VAL 160 CO 0.35 0.19 0.79 -0.67 -0.31 0.00 0.00 175.10 175.44 2jqi n ASP 161 N 3.42 -1.33 -4.92 4.85 2.03 -1.26 -5.05 116.55 114.29 2jqi n ASP 161 Ca 0.06 -1.04 -0.26 0.00 0.52 0.00 0.00 54.79 54.06 2jqi n ASP 161 Cb 0.48 -0.69 0.05 0.00 -0.72 0.00 0.00 41.12 40.24 2jqi n ASP 161 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2jqi s ARG 162 N -4.76 2.49 -0.12 -0.67 0.52 -1.26 -5.04 118.95 110.10 2jqi s ARG 162 Ca 0.49 -0.12 -0.24 0.00 -0.52 0.00 0.00 55.73 55.34 2jqi s ARG 162 Cb -0.04 -2.20 -0.03 0.00 0.52 0.00 0.00 34.95 33.21 2jqi s ARG 162 CO 0.37 -1.04 0.76 0.96 0.02 0.00 0.00 175.30 176.37 2jqi s ILE 163 N -3.17 4.96 -1.91 1.52 -4.36 -1.26 -5.33 121.20 111.65 2jqi s ILE 163 Ca 0.58 1.52 0.15 0.00 -0.26 0.00 0.00 60.65 62.64 2jqi s ILE 163 Cb -0.11 -4.08 0.12 0.00 1.25 0.00 0.00 42.46 39.64 2jqi s ILE 163 CO 0.45 0.13 0.98 0.54 0.24 0.00 0.00 174.94 177.29