#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqi h THR 15 N 0.00 1.11 -0.23 0.00 1.03 -2.07 -1.77 112.91 110.98 2jqi h THR 15 Ca 0.00 -0.87 -0.20 0.00 -0.01 0.00 0.00 66.41 65.33 2jqi h THR 15 Cb 0.00 1.65 0.00 0.00 -1.07 0.00 0.00 68.15 68.74 2jqi h THR 15 CO 0.00 0.21 -0.65 0.06 -0.01 0.00 0.00 175.52 175.13 2jqi h GLN 16 N -0.54 0.85 -0.64 0.00 3.07 -2.07 -3.13 115.11 112.65 2jqi h GLN 16 Ca -0.01 -0.60 0.03 0.00 0.09 0.00 0.00 58.65 58.15 2jqi h GLN 16 Cb 0.44 0.10 -0.04 0.00 0.08 0.00 0.00 27.48 28.06 2jqi h GLN 16 CO 0.02 1.23 0.43 0.00 0.09 0.00 0.00 178.83 180.59 2jqi h ARG 17 N 0.62 0.76 -0.72 0.06 3.08 -2.01 -1.32 114.38 114.85 2jqi h ARG 17 Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2jqi h ARG 17 Cb 1.26 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 31.11 2jqi h ARG 17 CO 0.14 0.50 0.45 0.35 -1.07 0.00 0.00 179.97 180.34 2jqi h PHE 18 N 0.78 0.92 -0.23 3.04 3.04 -1.26 -1.21 116.94 122.02 2jqi h PHE 18 Ca 0.26 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.15 2jqi h PHE 18 Cb 0.06 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.24 2jqi h PHE 18 CO -0.00 0.60 -0.14 -0.07 -2.02 0.00 0.00 178.31 176.68 2jqi h LEU 19 N 0.98 0.37 -0.41 0.59 3.38 -1.27 -2.61 115.31 116.34 2jqi h LEU 19 Ca 0.26 -0.09 -0.18 0.00 0.09 0.00 0.00 57.88 57.95 2jqi h LEU 19 Cb -0.07 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 2jqi h LEU 19 CO -0.05 0.55 -0.71 0.40 0.09 0.00 0.00 178.44 178.72 2jqi h ILE 20 N 0.36 1.36 -0.88 1.22 2.04 -1.06 -3.15 117.51 117.41 2jqi h ILE 20 Ca 0.07 -2.08 0.06 0.00 1.00 0.00 0.00 64.86 63.90 2jqi h ILE 20 Cb 0.47 2.06 -0.06 0.00 -0.74 0.00 0.00 36.82 38.55 2jqi h ILE 20 CO 0.03 0.63 0.55 -0.33 0.00 0.00 0.00 178.15 179.03 2jqi h GLU 21 N 0.31 0.99 0.00 2.37 5.08 -0.91 0.48 114.58 122.90 2jqi h GLU 21 Ca -0.03 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2jqi h GLU 21 Cb 1.28 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 2jqi h GLU 21 CO 0.12 0.65 -0.14 0.87 -1.00 0.00 0.00 179.01 179.52 2jqi h LYS 22 N 1.02 0.00 -0.38 2.33 1.57 -1.49 -2.99 116.57 116.62 2jqi h LYS 22 Ca 0.38 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.20 2jqi h LYS 22 Cb 0.14 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 2jqi h LYS 22 CO -0.16 0.14 0.13 0.35 -0.57 0.00 0.00 179.45 179.34 2jqi h PHE 23 N 0.00 0.24 -0.13 -1.35 3.57 -0.86 -2.87 116.94 115.55 2jqi h PHE 23 Ca -0.00 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 2jqi h PHE 23 Cb 0.46 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 2jqi h PHE 23 CO 0.00 0.10 -0.10 0.77 -2.23 0.00 0.00 178.31 176.85 2jqi h SER 24 N 0.29 0.31 -3.73 0.41 0.02 -1.54 -3.45 113.55 105.86 2jqi h SER 24 Ca 0.17 -0.46 -0.16 0.00 -0.84 0.00 0.00 61.79 60.50 2jqi h SER 24 Cb 0.15 -0.09 -0.26 0.00 0.14 0.00 0.00 62.40 62.34 2jqi h SER 24 CO -0.17 0.70 -0.42 -1.10 -1.14 0.00 0.00 176.83 174.70 2jqi s GLN 25 N -4.38 0.30 -0.13 3.45 -0.21 -1.08 -5.15 119.66 112.45 2jqi s GLN 25 Ca -0.14 0.41 -0.14 0.00 0.02 0.00 0.00 55.36 55.51 2jqi s GLN 25 Cb 0.05 0.10 -0.05 0.00 1.00 0.00 0.00 33.01 34.11 2jqi s GLN 25 CO 0.74 -0.06 0.31 -1.21 -2.12 0.00 0.00 175.29 172.94 2jqi s GLU 26 N 0.37 4.13 -0.57 2.91 2.02 -1.23 -4.03 118.70 122.31 2jqi s GLU 26 Ca -0.02 0.15 -0.28 0.00 0.02 0.00 0.00 54.97 54.83 2jqi s GLU 26 Cb -0.04 -3.37 0.03 0.00 0.10 0.00 0.00 34.13 30.85 2jqi s GLU 26 CO -0.02 0.35 1.18 -0.65 0.02 0.00 0.00 175.26 176.15 2jqi s GLN 27 N 0.10 3.54 0.14 1.61 -0.21 -1.26 -5.00 119.66 118.58 2jqi s GLN 27 Ca 0.18 0.29 -0.28 0.00 0.02 0.00 0.00 55.36 55.57 2jqi s GLN 27 Cb -0.14 -4.00 -0.07 0.00 1.00 0.00 0.00 33.01 29.81 2jqi s GLN 27 CO 0.06 -1.64 0.89 -1.50 -2.12 0.00 0.00 175.29 170.98 2jqi s ILE 28 N 4.89 4.42 -0.36 1.08 2.07 -1.26 -3.60 121.20 128.44 2jqi s ILE 28 Ca 0.44 1.94 0.00 0.00 -1.41 0.00 0.00 60.65 61.61 2jqi s ILE 28 Cb -0.07 -4.26 0.00 0.00 0.13 0.00 0.00 42.46 38.26 2jqi s ILE 28 CO 0.26 0.40 0.00 0.61 -1.91 0.00 0.00 174.94 174.31 2jqi n GLY 29 N 1.99 0.52 0.12 1.50 0.00 -1.26 -4.94 105.19 103.12 2jqi n GLY 29 Ca -0.01 -0.86 -0.17 0.00 0.00 0.00 0.00 46.02 44.99 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 0.19 0.00 1.61 4.81 -2.00 -3.45 114.58 115.74 2jqi h GLU 30 Ca -0.08 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2jqi h GLU 30 Cb 0.50 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2jqi h GLU 30 CO 0.11 0.98 0.00 -1.71 -0.73 0.00 0.00 179.01 177.66 2jqi n ASN 31 N -3.35 0.00 -4.74 1.04 2.85 -1.26 -5.10 115.26 104.70 2jqi n ASN 31 Ca -0.25 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 53.81 2jqi n ASN 31 Cb 1.05 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 42.03 2jqi n ASN 31 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2jqi s ILE 32 N 0.00 3.61 -0.15 -1.44 -1.09 -1.26 -0.80 121.20 120.07 2jqi s ILE 32 Ca 0.00 1.37 -0.11 0.00 -2.23 0.00 0.00 60.65 59.68 2jqi s ILE 32 Cb 0.00 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 2jqi s ILE 32 CO 0.00 0.23 -0.22 0.52 -1.23 0.00 0.00 174.94 174.24 2jqi n VAL 33 N 2.42 1.42 -3.95 2.92 0.31 0.30 -4.62 118.33 117.14 2jqi n VAL 33 Ca 0.04 0.20 -0.09 0.00 -0.01 0.00 0.00 64.34 64.48 2jqi n VAL 33 Cb 0.45 -2.37 -0.08 0.00 -0.91 0.00 0.00 33.84 30.93 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 -3.92 1.54 -0.20 0.00 3.00 0.38 -0.04 118.95 119.71 2jqi s ARG 35 Ca 0.10 -0.61 -0.04 0.00 -1.00 0.00 0.00 55.73 54.19 2jqi s ARG 35 Cb 0.05 -1.42 -0.01 0.00 0.00 0.00 0.00 34.95 33.56 2jqi s ARG 35 CO -0.07 0.32 -0.03 0.14 0.00 0.00 0.00 175.30 175.65 2jqi s VAL 36 N -0.22 3.56 -0.13 7.11 -7.23 -1.08 0.17 120.40 122.58 2jqi s VAL 36 Ca 0.02 -0.44 0.01 0.00 -1.81 0.00 0.00 61.98 59.76 2jqi s VAL 36 Cb -0.09 -2.61 0.02 0.00 0.56 0.00 0.00 36.38 34.27 2jqi s VAL 36 CO 0.00 0.43 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.45 2jqi s ILE 37 N 1.19 1.58 -0.74 -0.62 1.01 0.24 -2.56 121.20 121.31 2jqi s ILE 37 Ca 0.03 -0.66 -0.27 0.00 0.00 0.00 0.00 60.65 59.74 2jqi s ILE 37 Cb -0.14 -1.46 0.03 0.00 0.01 0.00 0.00 42.46 40.90 2jqi s ILE 37 CO -0.00 0.46 1.29 0.00 0.00 0.00 0.00 174.94 176.68 2jqi h THR 39 N 6.05 0.56 0.00 0.00 1.03 -1.90 -2.39 112.91 116.25 2jqi h THR 39 Ca -0.28 -0.85 0.00 0.00 -0.01 0.00 0.00 66.41 65.28 2jqi h THR 39 Cb 1.05 1.56 0.00 0.00 -1.07 0.00 0.00 68.15 69.70 2jqi h THR 39 CO 1.28 0.17 0.00 0.35 -0.01 0.00 0.00 175.52 177.31 2jqi n THR 40 N -3.50 0.00 -2.84 0.00 -2.24 -1.25 -4.96 114.28 99.49 2jqi n THR 40 Ca -0.01 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.71 2jqi n THR 40 Cb 0.34 -0.50 0.01 0.00 -2.10 0.00 0.00 70.33 68.07 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 -1.28 0.68 3.38 0.00 -0.90 -4.98 105.19 103.19 2jqi n GLY 41 Ca 0.20 1.06 0.00 0.00 0.00 0.00 0.00 46.02 47.28 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 -0.59 0.00 -4.83 1.61 6.02 -1.26 -5.12 117.38 113.21 2jqi n GLN 42 Ca 0.09 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.77 2jqi n GLN 42 Cb 0.45 -0.21 -0.13 0.00 1.02 0.00 0.00 30.24 31.37 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 -1.34 2.81 0.29 5.09 1.01 -1.26 -5.00 121.20 122.79 2jqi s ILE 43 Ca 0.00 -0.99 -0.29 0.00 0.00 0.00 0.00 60.65 59.37 2jqi s ILE 43 Cb 0.00 -2.13 -0.10 0.00 0.01 0.00 0.00 42.46 40.25 2jqi s ILE 43 CO 0.00 0.47 1.23 -2.16 0.00 0.00 0.00 174.94 174.48 2jqi s PRO 44 N -1.06 4.47 0.51 2.79 0.04 -1.26 -4.32 135.00 136.17 2jqi s PRO 44 Ca 0.13 2.04 -0.22 0.00 0.04 0.00 0.00 61.00 62.98 2jqi s PRO 44 Cb -0.10 -3.14 -0.07 0.00 0.04 0.00 0.00 34.50 31.23 2jqi s PRO 44 CO 0.03 -0.05 1.17 -0.89 0.04 0.00 0.00 177.00 177.30 2jqi n ILE 45 N 1.25 3.28 -4.25 0.56 5.41 -1.26 -4.89 119.36 119.46 2jqi n ILE 45 Ca 0.01 -0.50 -0.14 0.00 1.00 0.00 0.00 62.75 63.12 2jqi n ILE 45 Cb 0.43 -1.41 -0.10 0.00 -0.71 0.00 0.00 39.64 37.85 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 -2.55 1.12 -0.14 0.38 3.52 -1.06 -5.05 118.95 115.16 2jqi s ARG 46 Ca 0.69 -1.54 0.00 0.00 -0.13 0.00 0.00 55.73 54.76 2jqi s ARG 46 Cb -0.46 -0.31 0.02 0.00 -1.56 0.00 0.00 34.95 32.64 2jqi s ARG 46 CO 0.52 -0.12 -0.14 -0.51 -0.81 0.00 0.00 175.30 174.25 2jqi s ASP 47 N -3.18 2.63 -0.15 -2.12 1.11 -1.26 -2.62 116.67 111.08 2jqi s ASP 47 Ca 0.24 -0.47 -0.20 0.00 0.18 0.00 0.00 52.55 52.30 2jqi s ASP 47 Cb 0.06 -1.15 -0.03 0.00 1.07 0.00 0.00 42.92 42.87 2jqi s ASP 47 CO 0.04 -0.06 0.56 -0.76 1.18 0.00 0.00 175.17 176.13 2jqi s LEU 48 N 1.51 4.21 0.08 1.23 1.02 0.94 -4.99 118.68 122.68 2jqi s LEU 48 Ca 0.05 0.84 0.02 0.00 0.02 0.00 0.00 54.13 55.06 2jqi s LEU 48 Cb -0.13 -2.81 -0.04 0.00 0.02 0.00 0.00 46.19 43.23 2jqi s LEU 48 CO -0.10 -0.14 -0.07 -0.44 0.02 0.00 0.00 176.35 175.62 2jqi s SER 49 N 0.94 1.05 0.03 2.29 0.01 -1.26 0.11 113.70 116.87 2jqi s SER 49 Ca 0.28 -0.87 -0.10 0.00 1.31 0.00 0.00 55.95 56.57 2jqi s SER 49 Cb -0.16 0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.16 2jqi s SER 49 CO 0.11 -0.39 0.21 0.00 0.41 0.00 0.00 173.24 173.59 2jqi s ALA 50 N -2.96 -0.43 0.12 1.44 0.00 0.02 -4.78 121.76 115.18 2jqi s ALA 50 Ca 0.05 -0.19 -0.24 0.00 0.00 0.00 0.00 51.96 51.58 2jqi s ALA 50 Cb 0.01 0.25 -0.07 0.00 0.00 0.00 0.00 23.12 23.31 2jqi s ALA 50 CO -0.03 -0.35 0.74 -0.51 0.00 0.00 0.00 175.76 175.61 2jqi s ASP 51 N -1.96 7.30 0.13 0.00 1.11 -1.26 -4.65 116.67 117.33 2jqi s ASP 51 Ca -0.07 1.54 -0.15 0.00 0.18 0.00 0.00 52.55 54.05 2jqi s ASP 51 Cb -0.02 -2.47 -0.01 0.00 1.07 0.00 0.00 42.92 41.49 2jqi s ASP 51 CO -0.03 0.18 1.64 0.40 1.18 0.00 0.00 175.17 178.54 2jqi h ILE 52 N 3.54 1.22 -0.77 0.77 2.04 -1.99 -2.57 117.51 119.76 2jqi h ILE 52 Ca -0.47 -0.75 0.08 0.00 1.00 0.00 0.00 64.86 64.72 2jqi h ILE 52 Cb 1.21 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 2jqi h ILE 52 CO 0.67 0.26 0.51 -1.28 0.00 0.00 0.00 178.15 178.31 2jqi h SER 53 N 0.50 0.67 -0.19 1.72 0.87 -1.98 0.23 113.55 115.37 2jqi h SER 53 Ca 0.13 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.57 2jqi h SER 53 Cb 0.29 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2jqi h SER 53 CO -0.00 0.41 -0.31 1.56 -0.53 0.00 0.00 176.83 177.96 2jqi h GLN 54 N 0.75 0.69 -0.08 2.24 1.08 -1.92 0.11 115.11 117.98 2jqi h GLN 54 Ca 0.35 -0.31 -0.07 0.00 -1.45 0.00 0.00 58.65 57.17 2jqi h GLN 54 Cb 0.37 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 2jqi h GLN 54 CO -0.13 0.91 -0.21 0.28 -0.95 0.00 0.00 178.83 178.74 2jqi h VAL 55 N 0.59 1.41 0.00 -0.54 2.07 -0.63 -1.87 116.25 117.28 2jqi h VAL 55 Ca 0.07 -1.54 -0.09 0.00 0.82 0.00 0.00 66.70 65.96 2jqi h VAL 55 Cb 0.81 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 2jqi h VAL 55 CO 0.07 0.44 -0.41 0.25 0.02 0.00 0.00 177.57 177.94 2jqi h LEU 56 N -0.19 0.00 -0.06 2.57 5.85 -0.64 -3.18 115.31 119.66 2jqi h LEU 56 Ca -0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 2jqi h LEU 56 Cb 0.81 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.85 2jqi h LEU 56 CO 0.04 0.41 -0.30 0.50 -0.34 0.00 0.00 178.44 178.75 2jqi h LYS 57 N 0.00 0.31 -6.74 1.25 3.64 -0.76 -3.44 116.57 110.82 2jqi h LYS 57 Ca -0.00 -0.25 -0.52 0.00 -1.27 0.00 0.00 60.65 58.60 2jqi h LYS 57 Cb 0.87 0.05 0.03 0.00 -0.41 0.00 0.00 32.23 32.77 2jqi h LYS 57 CO 0.05 0.90 0.59 -1.21 -2.27 0.00 0.00 179.45 177.52 2jqi s GLU 58 N -3.59 4.45 -0.76 1.90 8.01 -0.71 -4.99 118.70 123.02 2jqi s GLU 58 Ca -0.14 2.00 -0.10 0.00 0.01 0.00 0.00 54.97 56.74 2jqi s GLU 58 Cb 0.03 -3.18 0.20 0.00 -4.31 0.00 0.00 34.13 26.88 2jqi s GLU 58 CO 0.77 -0.11 0.66 0.15 0.01 0.00 0.00 175.26 176.73 2jqi s LYS 59 N -0.76 3.25 -1.59 1.61 -0.14 -1.26 -4.70 119.74 116.15 2jqi s LYS 59 Ca 0.52 -2.50 -0.08 0.00 -1.36 0.00 0.00 55.97 52.55 2jqi s LYS 59 Cb -0.35 -4.19 0.07 0.00 -1.68 0.00 0.00 37.83 31.68 2jqi s LYS 59 CO 0.42 -1.25 0.41 2.89 -0.76 0.00 0.00 175.35 177.06 2jqi n ARG 60 N 3.78 -2.21 -2.82 1.68 1.85 -1.25 -4.87 116.66 112.82 2jqi n ARG 60 Ca 0.12 0.27 -0.14 0.00 -1.00 0.00 0.00 57.85 57.10 2jqi n ARG 60 Cb 0.44 -4.42 0.01 0.00 -1.05 0.00 0.00 32.46 27.43 2jqi n ARG 60 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2jqi n SER 61 N -2.80 1.57 -1.15 2.89 7.64 -1.26 -4.82 113.62 115.69 2jqi n SER 61 Ca -0.16 -2.90 0.10 0.00 1.01 0.00 0.00 58.87 56.92 2jqi n SER 61 Cb 0.61 -0.55 -0.05 0.00 -1.01 0.00 0.00 64.21 63.20 2jqi n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jqi n ILE 62 N 0.01 -0.78 0.08 0.44 0.13 -1.26 -5.02 119.36 112.96 2jqi n ILE 62 Ca 0.17 0.66 0.00 0.00 -1.10 0.00 0.00 62.75 62.48 2jqi n ILE 62 Cb 0.75 -1.01 0.00 0.00 -0.84 0.00 0.00 39.64 38.54 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 -3.69 0.00 -3.80 9.51 4.01 -1.15 -4.90 118.16 118.14 2jqi n LYS 63 Ca -0.05 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.61 2jqi n LYS 63 Cb 0.42 0.00 -0.14 0.00 -0.51 0.00 0.00 35.03 34.80 2jqi n LYS 63 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 2jqi s LYS 64 N -1.51 0.05 -0.01 1.97 2.20 -1.18 -5.03 119.74 116.22 2jqi s LYS 64 Ca 0.00 0.20 0.03 0.00 -0.36 0.00 0.00 55.97 55.85 2jqi s LYS 64 Cb 0.00 -0.11 -0.01 0.00 -1.51 0.00 0.00 37.83 36.20 2jqi s LYS 64 CO 0.00 -0.10 -0.11 0.08 -0.36 0.00 0.00 175.35 174.86 2jqi s VAL 65 N 0.67 0.89 -0.11 4.02 1.01 -1.26 -0.79 120.40 124.83 2jqi s VAL 65 Ca -0.05 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 2jqi s VAL 65 Cb -0.07 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 2jqi s VAL 65 CO -0.03 0.26 0.08 0.26 0.00 0.00 0.00 175.10 175.67 2jqi s TRP 66 N -0.17 3.41 -0.14 5.22 0.51 0.52 -4.89 118.94 123.39 2jqi s TRP 66 Ca 0.03 0.38 0.00 0.00 -2.12 0.00 0.00 56.10 54.39 2jqi s TRP 66 Cb -0.05 -1.89 -0.01 0.00 -0.81 0.00 0.00 33.47 30.71 2jqi s TRP 66 CO -0.00 0.60 -0.15 0.99 -0.51 0.00 0.00 176.95 177.88 2jqi s THR 67 N -0.88 2.79 0.03 2.01 2.01 -1.26 0.15 115.64 120.49 2jqi s THR 67 Ca 0.14 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 61.44 2jqi s THR 67 Cb -0.12 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 2jqi s THR 67 CO 0.03 0.52 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.06 2jqi s PHE 68 N 0.64 2.89 0.00 4.92 0.40 0.56 0.12 117.98 127.50 2jqi s PHE 68 Ca -0.08 -0.05 0.00 0.00 -0.60 0.00 0.00 56.93 56.20 2jqi s PHE 68 Cb -0.16 -1.58 0.00 0.00 0.51 0.00 0.00 43.02 41.79 2jqi s PHE 68 CO 0.03 0.39 0.00 0.41 0.70 0.00 0.00 175.22 176.75 2jqi n GLY 69 N 1.34 -0.52 0.00 4.36 0.00 -0.84 0.19 105.19 109.71 2jqi n GLY 69 Ca -0.15 -1.29 0.06 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.97 0.14 -2.96 1.61 1.74 0.75 -3.67 116.66 113.29 2jqi n ARG 70 Ca 0.00 0.20 -0.40 0.00 -0.77 0.00 0.00 57.85 56.88 2jqi n ARG 70 Cb 0.00 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 2jqi n ARG 70 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2jqi s ASN 71 N -2.67 7.20 0.00 0.55 3.84 0.57 -4.86 114.94 119.57 2jqi s ASN 71 Ca 0.10 1.44 0.15 0.00 0.21 0.00 0.00 52.86 54.77 2jqi s ASN 71 Cb 0.08 -2.47 0.76 0.00 -0.55 0.00 0.00 41.25 39.07 2jqi s ASN 71 CO 0.20 -0.02 1.43 -2.65 -2.79 0.00 0.00 177.10 173.26 2jqi n PRO 72 N 3.00 0.21 0.06 0.43 -0.02 -1.26 -2.08 135.00 135.33 2jqi n PRO 72 Ca -0.02 0.15 -0.22 0.00 -2.02 0.00 0.00 63.50 61.39 2jqi n PRO 72 Cb 0.50 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.34 2jqi n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jqi h ALA 73 N 2.71 0.01 -1.36 3.55 0.00 -1.94 -3.46 119.26 118.77 2jqi h ALA 73 Ca 0.00 -0.91 -0.67 0.00 0.00 0.00 0.00 54.91 53.32 2jqi h ALA 73 Cb 0.15 0.29 0.09 0.00 0.00 0.00 0.00 17.79 18.32 2jqi h ALA 73 CO 0.00 0.67 -0.13 0.00 0.00 0.00 0.00 179.25 179.79 2jqi h ASP 75 N 2.06 0.00 -3.47 0.00 5.19 0.57 -3.39 116.42 117.38 2jqi h ASP 75 Ca -0.37 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.56 2jqi h ASP 75 Cb 1.40 0.00 -0.33 0.00 0.18 0.00 0.00 39.33 40.57 2jqi h ASP 75 CO 0.62 0.00 -0.80 -0.47 -3.12 0.00 0.00 179.24 175.47 2jqi s TYR 76 N -4.02 1.22 -0.10 4.55 6.14 0.37 -4.90 117.35 120.61 2jqi s TYR 76 Ca -0.04 -0.42 -0.01 0.00 0.64 0.00 0.00 57.07 57.25 2jqi s TYR 76 Cb 0.10 -0.92 -0.03 0.00 0.42 0.00 0.00 41.96 41.53 2jqi s TYR 76 CO 0.31 -0.23 -0.06 -1.58 0.64 0.00 0.00 175.55 174.63 2jqi s HIS 77 N 0.67 2.98 -0.12 4.97 5.65 -1.26 -1.98 115.29 126.21 2jqi s HIS 77 Ca -0.13 -0.09 -0.08 0.00 0.25 0.00 0.00 55.06 55.01 2jqi s HIS 77 Cb -0.15 -1.80 -0.05 0.00 -1.18 0.00 0.00 32.58 29.40 2jqi s HIS 77 CO 0.03 0.21 -0.19 1.47 -0.65 0.00 0.00 174.74 175.60 2jqi n LEU 78 N 2.68 1.18 0.00 8.88 -0.00 -1.24 -4.81 117.00 123.68 2jqi n LEU 78 Ca -0.18 0.20 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 2jqi n LEU 78 Cb 0.53 -0.46 0.00 0.00 -0.00 0.00 0.00 43.42 43.49 2jqi n LEU 78 CO 0.29 0.06 0.00 0.61 -0.00 0.00 0.00 177.39 178.35 2jqi n GLY 79 N 2.19 -0.63 2.58 1.47 0.00 -1.26 -4.72 105.19 104.82 2jqi n GLY 79 Ca -0.22 0.35 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.73 -4.52 1.61 6.94 -1.26 -4.79 115.26 111.51 2jqi n ASN 80 Ca 0.00 -3.31 -0.37 0.00 -0.02 0.00 0.00 54.58 50.88 2jqi n ASN 80 Cb 0.00 1.15 -0.12 0.00 -2.36 0.00 0.00 39.78 38.46 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 -0.17 4.76 0.60 1.53 1.09 -1.26 -4.96 121.20 122.78 2jqi s ILE 81 Ca 0.30 -0.02 0.29 0.00 -1.10 0.00 0.00 60.65 60.12 2jqi s ILE 81 Cb 0.26 -3.24 0.36 0.00 -1.06 0.00 0.00 42.46 38.79 2jqi s ILE 81 CO -0.14 0.31 2.02 0.28 -0.10 0.00 0.00 174.94 177.31 2jqi h SER 82 N 8.16 0.00 1.17 3.58 0.02 -1.99 0.35 113.55 124.82 2jqi h SER 82 Ca -0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2jqi h SER 82 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2jqi h SER 82 CO 0.58 0.00 0.00 0.03 -1.14 0.00 0.00 176.83 176.30 2jqi h ARG 83 N 0.00 0.00 -6.27 3.45 -0.00 -1.93 -3.44 114.38 106.19 2jqi h ARG 83 Ca 0.12 0.00 -0.64 0.00 -0.50 0.00 0.00 59.98 58.96 2jqi h ARG 83 Cb 0.74 0.00 -0.10 0.00 0.00 0.00 0.00 29.97 30.60 2jqi h ARG 83 CO -0.00 0.00 -0.63 -0.51 0.00 0.00 0.00 179.97 178.83 2jqi s LEU 84 N -5.35 3.62 0.36 3.04 1.43 0.12 -4.21 118.68 117.69 2jqi s LEU 84 Ca 0.05 -0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.09 2jqi s LEU 84 Cb 0.09 -2.33 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 2jqi s LEU 84 CO 0.52 0.17 0.51 -0.94 0.23 0.00 0.00 176.35 176.85 2jqi s SER 85 N -2.38 5.98 0.23 2.29 1.04 -1.26 -4.79 113.70 114.81 2jqi s SER 85 Ca 0.28 -0.01 -0.15 0.00 0.48 0.00 0.00 55.95 56.55 2jqi s SER 85 Cb -0.12 -1.41 0.27 0.00 0.10 0.00 0.00 66.02 64.86 2jqi s SER 85 CO 0.20 -0.46 1.58 0.78 0.98 0.00 0.00 173.24 176.32 2jqi h ASN 86 N 0.79 -1.05 -3.37 7.02 2.35 -1.91 -0.99 115.58 118.42 2jqi h ASN 86 Ca -0.47 0.26 -0.62 0.00 -0.55 0.00 0.00 56.30 54.92 2jqi h ASN 86 Cb 1.25 0.60 -0.41 0.00 0.05 0.00 0.00 38.32 39.80 2jqi h ASN 86 CO 0.55 -0.29 -0.61 -0.54 -1.65 0.00 0.00 177.43 174.89 2jqi s LYS 87 N -6.11 2.23 0.12 0.81 1.02 -1.26 -0.18 119.74 116.38 2jqi s LYS 87 Ca -0.14 -3.07 -0.17 0.00 0.02 0.00 0.00 55.97 52.60 2jqi s LYS 87 Cb 0.21 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 34.23 2jqi s LYS 87 CO 0.73 -1.25 1.70 1.25 -0.92 0.00 0.00 175.35 176.86 2jqi h HIS 88 N 5.70 0.47 -3.45 3.18 2.76 0.24 -3.31 115.15 120.74 2jqi h HIS 88 Ca 0.10 -0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.16 2jqi h HIS 88 Cb 0.80 -0.15 -0.15 0.00 1.55 0.00 0.00 27.41 29.46 2jqi h HIS 88 CO 0.62 0.41 -0.22 -0.59 -1.30 0.00 0.00 177.93 176.85 2jqi s PHE 89 N -5.71 -0.07 -0.00 5.26 -0.71 -0.49 0.21 117.98 116.46 2jqi s PHE 89 Ca -0.13 -0.19 0.02 0.00 -1.04 0.00 0.00 56.93 55.58 2jqi s PHE 89 Cb 0.09 0.11 -0.00 0.00 -1.21 0.00 0.00 43.02 42.00 2jqi s PHE 89 CO 0.73 -0.57 -0.05 -1.14 -1.34 0.00 0.00 175.22 172.84 2jqi s GLN 90 N -3.26 0.44 -0.10 1.99 0.74 0.36 0.21 119.66 120.04 2jqi s GLN 90 Ca -0.00 -0.20 0.03 0.00 0.05 0.00 0.00 55.36 55.24 2jqi s GLN 90 Cb 0.01 -0.42 -0.01 0.00 1.10 0.00 0.00 33.01 33.69 2jqi s GLN 90 CO -0.08 0.12 -0.20 0.42 -0.55 0.00 0.00 175.29 174.99 2jqi s ILE 91 N -0.14 2.41 0.05 -2.34 1.09 0.39 0.15 121.20 122.81 2jqi s ILE 91 Ca 0.02 -0.91 0.07 0.00 -1.10 0.00 0.00 60.65 58.73 2jqi s ILE 91 Cb -0.02 -1.94 -0.03 0.00 -1.06 0.00 0.00 42.46 39.40 2jqi s ILE 91 CO -0.00 0.55 -0.18 -1.48 -0.10 0.00 0.00 174.94 173.73 2jqi s LEU 92 N 0.19 2.62 -0.09 2.97 2.34 0.15 0.19 118.68 127.05 2jqi s LEU 92 Ca -0.12 -0.43 0.02 0.00 0.06 0.00 0.00 54.13 53.66 2jqi s LEU 92 Cb -0.16 -1.52 0.01 0.00 -0.56 0.00 0.00 46.19 43.96 2jqi s LEU 92 CO 0.07 0.25 -0.16 -0.22 -1.06 0.00 0.00 176.35 175.23 2jqi s LEU 93 N -1.49 1.77 0.00 1.48 1.98 0.03 -0.53 118.68 121.92 2jqi s LEU 93 Ca 0.15 -0.42 0.00 0.00 -2.89 0.00 0.00 54.13 50.97 2jqi s LEU 93 Cb -0.10 -1.07 0.00 0.00 0.66 0.00 0.00 46.19 45.67 2jqi s LEU 93 CO 0.06 0.05 0.00 0.61 -1.89 0.00 0.00 176.35 175.18 2jqi n GLY 94 N 3.95 -0.56 5.00 7.98 0.00 -1.14 -2.94 105.19 117.47 2jqi n GLY 94 Ca -0.20 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2jqi n GLY 94 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jqi n GLU 95 N 0.00 0.00 -2.34 1.61 2.13 -1.26 -2.54 120.64 118.24 2jqi n GLU 95 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 2jqi n GLU 95 Cb 0.00 0.00 0.04 0.00 0.27 0.00 0.00 31.44 31.75 2jqi n GLU 95 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2jqi n ASP 96 N 1.79 -1.01 0.00 4.31 2.03 -1.26 -3.97 116.55 118.45 2jqi n ASP 96 Ca 0.00 -1.72 0.00 0.00 0.52 0.00 0.00 54.79 53.59 2jqi n ASP 96 Cb 0.00 0.65 0.00 0.00 -0.72 0.00 0.00 41.12 41.05 2jqi n ASP 96 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jqi n GLY 97 N -0.60 3.03 3.81 0.27 0.00 -1.05 -5.04 105.19 105.60 2jqi n GLY 97 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 2jqi n GLY 97 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jqi s ASN 98 N 0.36 5.51 0.11 1.61 0.01 -1.21 -4.83 114.94 116.50 2jqi s ASN 98 Ca 0.00 1.69 0.04 0.00 -0.71 0.00 0.00 52.86 53.89 2jqi s ASN 98 Cb 0.00 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 2jqi s ASN 98 CO 0.00 -1.35 0.05 -0.22 -1.51 0.00 0.00 177.10 174.07 2jqi s LEU 99 N -5.17 3.64 0.02 0.60 0.20 -1.26 -2.86 118.68 113.85 2jqi s LEU 99 Ca 0.60 -0.12 0.03 0.00 0.69 0.00 0.00 54.13 55.33 2jqi s LEU 99 Cb -0.15 -2.33 -0.02 0.00 -0.43 0.00 0.00 46.19 43.27 2jqi s LEU 99 CO 0.48 0.15 -0.10 -0.76 -0.29 0.00 0.00 176.35 175.83 2jqi s LEU 100 N -2.54 2.13 -0.15 -0.68 1.02 0.31 -1.59 118.68 117.19 2jqi s LEU 100 Ca 0.28 -0.37 -0.01 0.00 0.02 0.00 0.00 54.13 54.05 2jqi s LEU 100 Cb -0.11 -0.44 -0.02 0.00 0.02 0.00 0.00 46.19 45.65 2jqi s LEU 100 CO 0.21 0.00 -0.10 -1.48 0.02 0.00 0.00 176.35 175.00 2jqi s LEU 101 N -0.90 2.83 -0.19 1.79 2.34 -0.63 -0.67 118.68 123.25 2jqi s LEU 101 Ca -0.00 -0.30 0.00 0.00 0.06 0.00 0.00 54.13 53.89 2jqi s LEU 101 Cb -0.07 -1.66 0.02 0.00 -0.56 0.00 0.00 46.19 43.93 2jqi s LEU 101 CO 0.01 0.14 -0.17 0.21 -1.06 0.00 0.00 176.35 175.47 2jqi s ASN 102 N 0.51 3.40 0.19 1.48 2.47 0.39 -2.22 114.94 121.16 2jqi s ASN 102 Ca -0.07 -0.68 -0.30 0.00 0.42 0.00 0.00 52.86 52.23 2jqi s ASN 102 Cb -0.15 -1.52 -0.08 0.00 -1.45 0.00 0.00 41.25 38.05 2jqi s ASN 102 CO 0.04 -0.02 0.95 1.51 -3.72 0.00 0.00 177.10 175.86 2jqi s ASP 103 N 1.30 7.58 -0.03 -4.21 1.47 -1.25 0.13 116.67 121.67 2jqi s ASP 103 Ca 0.04 1.90 0.19 0.00 1.18 0.00 0.00 52.55 55.86 2jqi s ASP 103 Cb -0.14 -2.60 0.33 0.00 -0.34 0.00 0.00 42.92 40.17 2jqi s ASP 103 CO -0.11 0.06 1.13 2.30 0.68 0.00 0.00 175.17 179.23 2jqi n ILE 104 N 2.01 0.09 -2.88 2.11 -5.35 -0.57 0.11 119.36 114.88 2jqi n ILE 104 Ca -0.00 -0.89 -0.28 0.00 -0.27 0.00 0.00 62.75 61.31 2jqi n ILE 104 Cb 0.48 0.90 -0.01 0.00 -1.74 0.00 0.00 39.64 39.26 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 -1.86 6.35 0.22 7.28 0.01 0.57 -4.24 113.70 122.03 2jqi s SER 105 Ca 0.24 0.87 -0.02 0.00 1.31 0.00 0.00 55.95 58.36 2jqi s SER 105 Cb 0.29 -2.22 0.22 0.00 0.21 0.00 0.00 66.02 64.52 2jqi s SER 105 CO -0.12 -0.45 1.61 0.74 0.41 0.00 0.00 173.24 175.43 2jqi h THR 106 N 0.63 1.29 0.00 1.44 2.02 -1.86 -3.26 112.91 113.18 2jqi h THR 106 Ca -0.47 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 65.21 2jqi h THR 106 Cb 1.20 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 69.07 2jqi h THR 106 CO 0.63 0.48 -1.86 -0.46 0.37 0.00 0.00 175.52 174.67 2jqi n ASN 107 N -4.06 0.12 0.00 4.18 0.23 -1.26 -5.09 115.26 109.37 2jqi n ASN 107 Ca -0.01 0.04 0.00 0.00 -0.53 0.00 0.00 54.58 54.07 2jqi n ASN 107 Cb 0.49 1.79 0.00 0.00 -2.08 0.00 0.00 39.78 39.98 2jqi n ASN 107 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jqi n GLY 108 N 1.25 3.58 3.36 4.83 0.00 -1.23 -4.93 105.19 112.05 2jqi n GLY 108 Ca -0.03 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.56 2.46 0.09 2.61 2.01 -1.26 -4.38 115.64 114.61 2jqi s THR 109 Ca 0.00 -0.94 0.07 0.00 0.31 0.00 0.00 61.69 61.14 2jqi s THR 109 Cb 0.00 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 2jqi s THR 109 CO 0.00 0.58 -0.14 0.26 -0.69 0.00 0.00 174.62 174.63 2jqi s TRP 110 N -0.46 2.66 -0.21 4.92 0.51 0.38 -2.86 118.94 123.88 2jqi s TRP 110 Ca 0.05 -0.20 0.01 0.00 -2.12 0.00 0.00 56.10 53.85 2jqi s TRP 110 Cb -0.12 -1.43 0.05 0.00 -0.81 0.00 0.00 33.47 31.16 2jqi s TRP 110 CO 0.01 0.38 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.56 2jqi s LEU 111 N -1.98 2.43 -1.68 2.99 2.96 0.80 0.14 118.68 124.34 2jqi s LEU 111 Ca 0.19 -0.98 -0.14 0.00 -0.22 0.00 0.00 54.13 52.98 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 0.11 -0.16 0.56 0.59 -1.32 0.00 0.00 176.35 176.13 2jqi n ASN 112 N 4.66 -1.81 0.00 3.68 3.02 -0.78 0.88 115.26 124.90 2jqi n ASN 112 Ca -0.14 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 2jqi n ASN 112 Cb 0.46 -2.35 0.00 0.00 -0.61 0.00 0.00 39.78 37.28 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 -1.59 2.01 3.46 7.41 0.00 -1.26 -5.01 105.19 110.21 2jqi n GLY 113 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.37 3.59 -0.16 1.61 -0.21 0.25 -5.06 119.66 119.32 2jqi s GLN 114 Ca 0.00 -0.54 -0.29 0.00 0.02 0.00 0.00 55.36 54.55 2jqi s GLN 114 Cb 0.00 -3.44 -0.02 0.00 1.00 0.00 0.00 33.01 30.55 2jqi s GLN 114 CO 0.00 -0.26 1.38 0.21 -2.12 0.00 0.00 175.29 174.50 2jqi s LYS 115 N 1.63 4.16 0.57 2.91 2.47 -1.26 -0.14 119.74 130.07 2jqi s LYS 115 Ca 0.06 1.74 -0.04 0.00 -1.56 0.00 0.00 55.97 56.17 2jqi s LYS 115 Cb -0.16 -3.85 0.02 0.00 -1.46 0.00 0.00 37.83 32.38 2jqi s LYS 115 CO 0.05 -0.83 0.85 0.14 0.16 0.00 0.00 175.35 175.73 2jqi s VAL 116 N 3.84 3.37 0.07 4.02 -7.23 -1.14 -4.95 120.40 118.38 2jqi s VAL 116 Ca 0.60 -0.25 -0.31 0.00 -1.81 0.00 0.00 61.98 60.22 2jqi s VAL 116 Cb -0.24 -3.32 -0.07 0.00 0.56 0.00 0.00 36.38 33.31 2jqi s VAL 116 CO 0.20 -0.29 1.39 -1.61 -0.31 0.00 0.00 175.10 174.47 2jqi s GLU 117 N -4.90 4.31 0.87 4.82 0.41 -1.26 -4.71 118.70 118.24 2jqi s GLU 117 Ca 0.54 2.02 -0.13 0.00 -0.41 0.00 0.00 54.97 56.99 2jqi s GLU 117 Cb -0.10 -3.39 0.05 0.00 -1.78 0.00 0.00 34.13 28.91 2jqi s GLU 117 CO 0.42 -0.48 0.73 1.17 -0.49 0.00 0.00 175.26 176.61 2jqi n LYS 118 N 4.54 -0.11 -2.88 1.61 3.00 -1.26 -2.19 118.16 120.87 2jqi n LYS 118 Ca 0.12 0.02 -0.11 0.00 -0.00 0.00 0.00 58.31 58.35 2jqi n LYS 118 Cb 0.43 -2.07 -0.02 0.00 0.00 0.00 0.00 35.03 33.37 2jqi n LYS 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2jqi n ASN 119 N -2.07 -1.13 -4.56 3.14 3.02 0.30 -4.88 115.26 109.07 2jqi n ASN 119 Ca 0.10 0.01 -0.32 0.00 -0.03 0.00 0.00 54.58 54.35 2jqi n ASN 119 Cb 0.52 -1.07 -0.11 0.00 -0.61 0.00 0.00 39.78 38.51 2jqi n ASN 119 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2jqi s SER 120 N -2.17 4.43 -0.11 6.41 0.15 -0.93 -4.90 113.70 116.58 2jqi s SER 120 Ca 0.21 -0.23 -0.14 0.00 0.70 0.00 0.00 55.95 56.50 2jqi s SER 120 Cb -0.12 -0.96 -0.05 0.00 -1.71 0.00 0.00 66.02 63.18 2jqi s SER 120 CO 0.26 0.26 0.33 0.20 1.20 0.00 0.00 173.24 175.49 2jqi s ASN 121 N -1.51 6.56 0.10 5.45 0.01 -1.26 -3.74 114.94 120.54 2jqi s ASN 121 Ca 0.17 0.66 0.06 0.00 -0.71 0.00 0.00 52.86 53.04 2jqi s ASN 121 Cb -0.11 -2.20 -0.03 0.00 0.41 0.00 0.00 41.25 39.32 2jqi s ASN 121 CO 0.08 0.18 -0.15 -1.10 -1.51 0.00 0.00 177.10 174.60 2jqi s GLN 122 N -0.09 0.97 -0.05 -0.60 -1.52 -0.94 -4.91 119.66 112.52 2jqi s GLN 122 Ca 0.19 -1.12 -0.30 0.00 -1.95 0.00 0.00 55.36 52.18 2jqi s GLN 122 Cb -0.14 -0.96 -0.04 0.00 -0.22 0.00 0.00 33.01 31.64 2jqi s GLN 122 CO 0.07 0.20 1.34 -1.17 -0.25 0.00 0.00 175.29 175.49 2jqi s LEU 123 N -2.09 4.28 0.80 2.90 2.96 -1.26 -1.60 118.68 124.68 2jqi s LEU 123 Ca 0.04 1.97 -0.14 0.00 -0.22 0.00 0.00 54.13 55.78 2jqi s LEU 123 Cb -0.08 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.08 2jqi s LEU 123 CO 0.03 -0.70 0.73 -0.11 -1.32 0.00 0.00 176.35 174.98 2jqi n LEU 124 N 5.67 1.85 -4.32 -0.68 7.94 -0.62 -4.91 117.00 121.92 2jqi n LEU 124 Ca 0.13 0.53 -0.23 0.00 -1.11 0.00 0.00 56.01 55.33 2jqi n LEU 124 Cb 0.44 -1.32 -0.12 0.00 0.53 0.00 0.00 43.42 42.96 2jqi n LEU 124 CO 0.57 -2.74 -0.50 -0.44 -1.11 0.00 0.00 177.39 173.18 2jqi s SER 125 N -1.81 2.67 -0.10 1.96 0.01 -1.26 -4.98 113.70 110.19 2jqi s SER 125 Ca 0.66 -0.79 -0.30 0.00 1.31 0.00 0.00 55.95 56.83 2jqi s SER 125 Cb -0.30 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 65.74 2jqi s SER 125 CO 0.58 0.01 1.41 -1.10 0.41 0.00 0.00 173.24 174.54 2jqi s GLN 126 N -2.44 4.23 -2.07 12.44 -1.52 -1.26 -2.62 119.66 126.42 2jqi s GLN 126 Ca 0.12 1.88 0.00 0.00 -1.95 0.00 0.00 55.36 55.41 2jqi s GLN 126 Cb -0.07 -3.80 0.00 0.00 -0.22 0.00 0.00 33.01 28.91 2jqi s GLN 126 CO 0.06 -0.72 0.00 0.41 -0.25 0.00 0.00 175.29 174.79 2jqi n GLY 127 N 3.78 1.08 3.27 3.09 0.00 -0.98 -4.95 105.19 110.48 2jqi n GLY 127 Ca 0.15 0.00 -0.29 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 -1.62 -2.63 -3.78 1.61 2.03 -1.04 -4.45 116.55 106.68 2jqi n ASP 128 Ca -0.22 -0.31 -0.13 0.00 0.52 0.00 0.00 54.79 54.65 2jqi n ASP 128 Cb 0.69 -1.00 -0.13 0.00 -0.72 0.00 0.00 41.12 39.96 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 -3.92 0.19 -0.16 -0.67 2.02 -1.26 0.10 118.70 115.01 2jqi s GLU 129 Ca 0.58 0.35 -0.01 0.00 0.02 0.00 0.00 54.97 55.91 2jqi s GLU 129 Cb -0.14 -0.00 -0.01 0.00 0.10 0.00 0.00 34.13 34.07 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 0.60 3.04 -0.05 -1.63 1.01 0.35 -1.87 121.20 122.64 2jqi s ILE 130 Ca -0.04 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 59.95 2jqi s ILE 130 Cb -0.06 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 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 0.76 4.70 0.05 2.92 2.01 0.37 0.49 115.64 126.94 2jqi s THR 131 Ca -0.05 -0.26 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 2jqi s THR 131 Cb -0.15 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 2jqi s THR 131 CO 0.01 0.48 -0.01 0.68 -0.69 0.00 0.00 174.62 175.09 2jqi s VAL 132 N -1.06 0.20 0.00 3.82 -7.23 0.24 0.14 120.40 116.51 2jqi s VAL 132 Ca 0.18 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 2jqi s VAL 132 Cb -0.12 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.49 2jqi s VAL 132 CO 0.08 -0.90 0.00 0.61 -0.31 0.00 0.00 175.10 174.58 2jqi n GLY 133 N 0.31 0.78 3.79 2.32 0.00 -1.26 0.81 105.19 111.94 2jqi n GLY 133 Ca -0.15 -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 4.45 0.00 1.61 1.01 -1.26 -2.85 120.40 120.43 2jqi s VAL 134 Ca 0.00 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.56 2jqi s VAL 134 Cb 0.00 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.31 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 3.45 2.98 4.51 0.00 -1.26 -5.01 105.19 111.38 2jqi n GLY 135 Ca -0.06 -0.48 -0.29 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 1.35 0.60 1.61 1.01 -1.26 -5.00 120.40 118.71 2jqi s VAL 136 Ca 0.00 -0.50 0.28 0.00 0.00 0.00 0.00 61.98 61.76 2jqi s VAL 136 Cb 0.00 -1.29 0.37 0.00 0.00 0.00 0.00 36.38 35.45 2jqi s VAL 136 CO 0.00 0.42 1.80 -0.33 0.00 0.00 0.00 175.10 176.99 2jqi h GLU 137 N 8.00 0.00 -0.33 2.72 3.07 -1.98 0.78 114.58 126.84 2jqi h GLU 137 Ca -0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 2jqi h GLU 137 Cb 1.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 2jqi h GLU 137 CO 0.48 0.00 0.00 0.45 -1.40 0.00 0.00 179.01 178.54 2jqi n SER 138 N -3.52 2.46 -0.97 1.42 2.88 -1.26 -4.19 113.62 110.43 2jqi n SER 138 Ca 0.09 -1.88 0.05 0.00 -1.33 0.00 0.00 58.87 55.79 2jqi n SER 138 Cb 0.76 -0.22 0.09 0.00 -0.75 0.00 0.00 64.21 64.09 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 0.84 1.20 -4.66 -3.46 8.00 0.27 -5.05 116.55 113.69 2jqi n ASP 139 Ca 0.17 -2.68 -0.35 0.00 0.71 0.00 0.00 54.79 52.64 2jqi n ASP 139 Cb 0.43 -0.37 -0.10 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.25 4.27 -0.05 0.53 1.01 -1.13 -4.39 121.20 120.19 2jqi s ILE 140 Ca 0.31 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.74 2jqi s ILE 140 Cb 0.32 -2.80 -0.00 0.00 0.01 0.00 0.00 42.46 39.99 2jqi s ILE 140 CO -0.10 0.59 -0.19 -0.22 0.00 0.00 0.00 174.94 175.02 2jqi s LEU 141 N -0.74 1.94 0.10 2.97 0.20 0.24 -4.96 118.68 118.43 2jqi s LEU 141 Ca 0.11 -0.40 0.05 0.00 0.69 0.00 0.00 54.13 54.59 2jqi s LEU 141 Cb -0.12 -1.07 -0.04 0.00 -0.43 0.00 0.00 46.19 44.53 2jqi s LEU 141 CO 0.02 0.16 -0.00 -0.55 -0.29 0.00 0.00 176.35 175.69 2jqi s SER 142 N 0.09 5.00 0.04 3.68 0.15 -1.26 0.81 113.70 122.20 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 -1.18 -0.02 0.00 -1.71 0.00 0.00 66.02 62.98 2jqi s SER 142 CO 0.03 0.17 -0.08 -0.76 1.20 0.00 0.00 173.24 173.80 2jqi s LEU 143 N -2.35 2.22 -0.05 3.45 1.43 0.18 -3.58 118.68 119.98 2jqi s LEU 143 Ca 0.26 -0.48 0.05 0.00 -1.03 0.00 0.00 54.13 52.93 2jqi s LEU 143 Cb -0.12 -0.20 -0.02 0.00 0.03 0.00 0.00 46.19 45.88 2jqi s LEU 143 CO 0.18 -0.15 -0.20 -0.69 0.23 0.00 0.00 176.35 175.72 2jqi s VAL 144 N -1.17 2.58 -0.24 -1.59 1.01 0.33 0.13 120.40 121.45 2jqi s VAL 144 Ca -0.08 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 2jqi s VAL 144 Cb -0.09 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 2jqi s VAL 144 CO 0.00 0.58 0.06 -0.63 0.00 0.00 0.00 175.10 175.11 2jqi s ILE 145 N -0.48 4.28 -0.26 2.22 -1.09 0.29 0.83 121.20 126.99 2jqi s ILE 145 Ca 0.06 -0.18 -0.06 0.00 -2.23 0.00 0.00 60.65 58.24 2jqi s ILE 145 Cb -0.12 -2.99 -0.00 0.00 -1.58 0.00 0.00 42.46 37.77 2jqi s ILE 145 CO 0.01 0.36 0.03 0.12 -1.23 0.00 0.00 174.94 174.23 2jqi s PHE 146 N 1.47 3.07 0.03 3.97 2.19 0.45 -2.31 117.98 126.85 2jqi s PHE 146 Ca 0.06 -0.88 -0.25 0.00 0.33 0.00 0.00 56.93 56.19 2jqi s PHE 146 Cb -0.15 -2.19 -0.05 0.00 -1.31 0.00 0.00 43.02 39.32 2jqi s PHE 146 CO 0.03 -0.53 0.76 0.42 1.83 0.00 0.00 175.22 177.73 2jqi s ILE 147 N 1.51 4.77 -0.24 3.12 1.01 -1.26 0.14 121.20 130.25 2jqi s ILE 147 Ca 0.04 1.61 -0.29 0.00 0.00 0.00 0.00 60.65 62.01 2jqi s ILE 147 Cb -0.16 -4.10 0.01 0.00 0.01 0.00 0.00 42.46 38.22 2jqi s ILE 147 CO 0.01 0.35 1.09 0.21 0.00 0.00 0.00 174.94 176.60 2jqi s ASN 148 N 0.03 7.03 0.48 3.58 2.47 -1.09 -4.90 114.94 122.53 2jqi s ASN 148 Ca 0.38 1.36 0.31 0.00 0.42 0.00 0.00 52.86 55.34 2jqi s ASN 148 Cb -0.20 -2.54 1.27 0.00 -1.45 0.00 0.00 41.25 38.33 2jqi s ASN 148 CO 0.22 -0.74 1.92 -0.78 -3.72 0.00 0.00 177.10 174.01 2jqi h ASP 149 N 7.75 0.00 -0.52 -4.21 3.58 -1.92 -3.09 116.42 118.00 2jqi h ASP 149 Ca -0.21 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.27 2jqi h ASP 149 Cb 1.07 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.08 2jqi h ASP 149 CO 0.99 0.00 0.31 0.11 -2.88 0.00 0.00 179.24 177.77 2jqi h LYS 150 N 0.00 0.61 -0.80 0.28 1.57 -1.91 -2.24 116.57 114.08 2jqi h LYS 150 Ca 0.00 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2jqi h LYS 150 Cb 0.48 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 2jqi h LYS 150 CO 0.00 0.40 0.50 0.35 -0.57 0.00 0.00 179.45 180.13 2jqi h PHE 151 N 0.63 0.94 -0.73 -1.35 3.04 -1.79 -1.77 116.94 115.89 2jqi h PHE 151 Ca 0.21 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.20 2jqi h PHE 151 Cb 0.02 -0.31 -0.04 0.00 2.56 0.00 0.00 35.95 38.18 2jqi h PHE 151 CO -0.06 0.52 0.49 0.87 -2.02 0.00 0.00 178.31 178.10 2jqi h LYS 152 N 0.96 0.93 -0.19 1.11 6.56 -1.55 0.14 116.57 124.53 2jqi h LYS 152 Ca 0.33 -0.06 -0.02 0.00 -1.06 0.00 0.00 60.65 59.85 2jqi h LYS 152 Cb 0.07 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 31.51 2jqi h LYS 152 CO -0.13 0.62 0.05 0.37 -2.06 0.00 0.00 179.45 178.29 2jqi h GLN 153 N 0.96 0.31 -0.20 3.15 5.75 -0.91 -1.10 115.11 123.08 2jqi h GLN 153 Ca 0.28 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.65 2jqi h GLN 153 Cb -0.06 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.44 2jqi h GLN 153 CO -0.07 0.44 -0.09 0.00 -2.65 0.00 0.00 178.83 176.46 2jqi h LEU 155 N 0.12 0.64 -0.83 0.00 6.46 -0.70 -0.05 115.31 120.95 2jqi h LEU 155 Ca 0.05 -0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.74 2jqi h LEU 155 Cb 0.57 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.34 2jqi h LEU 155 CO 0.03 0.42 0.14 -0.08 -0.62 0.00 0.00 178.44 178.33 2jqi h GLU 156 N 0.73 1.01 0.00 1.25 4.81 -1.08 -2.69 114.58 118.62 2jqi h GLU 156 Ca 0.29 -0.24 -0.16 0.00 -0.13 0.00 0.00 59.36 59.12 2jqi h GLU 156 Cb 0.20 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2jqi h GLU 156 CO -0.09 0.91 -0.76 1.96 -0.73 0.00 0.00 179.01 180.30 2jqi h GLN 157 N 0.96 0.00 -4.54 1.92 4.20 -1.09 -3.40 115.11 113.16 2jqi h GLN 157 Ca 0.20 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 58.26 2jqi h GLN 157 Cb 0.36 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 27.75 2jqi h GLN 157 CO 0.00 0.76 -0.74 -0.80 -0.67 0.00 0.00 178.83 177.39 2jqi s ASN 158 N -6.72 4.57 0.19 1.46 0.01 -0.14 -5.10 114.94 109.21 2jqi s ASN 158 Ca 0.00 -1.93 0.10 0.00 -0.71 0.00 0.00 52.86 50.32 2jqi s ASN 158 Cb 0.11 -1.49 -0.04 0.00 0.41 0.00 0.00 41.25 40.24 2jqi s ASN 158 CO 0.78 -0.35 -0.20 -0.54 -1.51 0.00 0.00 177.10 175.28 2jqi s LYS 159 N 1.06 1.40 0.19 -0.60 3.01 -1.23 -4.54 119.74 119.03 2jqi s LYS 159 Ca 0.07 -1.51 -0.30 0.00 -1.01 0.00 0.00 55.97 53.22 2jqi s LYS 159 Cb -0.19 -1.51 -0.08 0.00 -1.01 0.00 0.00 37.83 35.05 2jqi s LYS 159 CO -0.10 0.30 1.06 0.14 0.51 0.00 0.00 175.35 177.26 2jqi s VAL 160 N -2.12 3.93 0.38 3.17 -7.23 -1.26 -5.05 120.40 112.21 2jqi s VAL 160 Ca 0.20 1.73 0.08 0.00 -1.81 0.00 0.00 61.98 62.18 2jqi s VAL 160 Cb -0.06 -4.10 -0.07 0.00 0.56 0.00 0.00 36.38 32.72 2jqi s VAL 160 CO 0.09 0.33 0.02 -1.81 -0.31 0.00 0.00 175.10 173.42 2jqi s ASP 161 N -0.37 4.02 -0.50 4.85 1.11 -1.26 -5.07 116.67 119.45 2jqi s ASP 161 Ca 0.47 -1.19 -0.28 0.00 0.18 0.00 0.00 52.55 51.73 2jqi s ASP 161 Cb -0.28 -0.43 0.00 0.00 1.07 0.00 0.00 42.92 43.27 2jqi s ASP 161 CO 0.35 -0.37 1.53 -0.60 1.18 0.00 0.00 175.17 177.25 2jqi s ARG 162 N -3.73 3.28 -0.22 8.23 3.52 -1.26 -4.97 118.95 123.80 2jqi s ARG 162 Ca 0.36 0.73 -0.27 0.00 -0.13 0.00 0.00 55.73 56.42 2jqi s ARG 162 Cb 0.05 -4.15 -0.00 0.00 -1.56 0.00 0.00 34.95 29.29 2jqi s ARG 162 CO 0.19 -1.94 0.92 -1.50 -0.81 0.00 0.00 175.30 172.15 2jqi s ILE 163 N 6.42 4.78 0.00 4.11 1.10 -1.26 -5.35 121.20 131.00 2jqi s ILE 163 Ca 0.60 1.77 0.00 0.00 -0.51 0.00 0.00 60.65 62.52 2jqi s ILE 163 Cb -0.13 -4.20 0.00 0.00 0.15 0.00 0.00 42.46 38.28 2jqi s ILE 163 CO 0.27 -0.09 0.00 0.54 -2.11 0.00 0.00 174.94 173.55