#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 -0.06 0.00 -2.24 -1.26 -4.56 114.28 106.15 2jqi n THR 15 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 2jqi n THR 15 Cb 0.00 -1.26 -0.05 0.00 -2.10 0.00 0.00 70.33 66.92 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 0.00 0.33 -0.71 -0.78 7.50 -2.06 -2.86 115.11 116.52 2jqi h GLN 16 Ca 0.00 -0.09 0.03 0.00 0.50 0.00 0.00 58.65 59.09 2jqi h GLN 16 Cb 0.92 -0.04 -0.04 0.00 0.05 0.00 0.00 27.48 28.38 2jqi h GLN 16 CO 0.00 0.49 0.47 0.00 -1.50 0.00 0.00 178.83 178.29 2jqi h ARG 17 N 0.12 0.84 -0.77 1.46 3.08 -2.01 -1.87 114.38 115.24 2jqi h ARG 17 Ca 0.06 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.07 2jqi h ARG 17 Cb 0.32 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 2jqi h ARG 17 CO 0.00 0.56 0.51 0.35 -1.07 0.00 0.00 179.97 180.32 2jqi h PHE 18 N 0.87 0.96 -0.27 3.04 3.04 -1.76 -1.43 116.94 121.40 2jqi h PHE 18 Ca 0.28 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.25 2jqi h PHE 18 Cb 0.05 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.22 2jqi h PHE 18 CO -0.00 0.61 0.14 1.25 -2.02 0.00 0.00 178.31 178.29 2jqi h LEU 19 N 1.04 0.31 -0.42 0.59 6.46 -1.13 -1.72 115.31 120.45 2jqi h LEU 19 Ca 0.28 -0.02 -0.18 0.00 -0.12 0.00 0.00 57.88 57.85 2jqi h LEU 19 Cb -0.12 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 39.73 2jqi h LEU 19 CO -0.06 0.26 -0.70 0.40 -0.62 0.00 0.00 178.44 177.71 2jqi h ILE 20 N 0.36 1.37 -0.86 4.05 2.04 -1.09 -3.12 117.51 120.26 2jqi h ILE 20 Ca 0.10 -2.08 0.06 0.00 1.00 0.00 0.00 64.86 63.94 2jqi h ILE 20 Cb 0.01 2.06 -0.06 0.00 -0.74 0.00 0.00 36.82 38.09 2jqi h ILE 20 CO -0.02 0.63 0.56 -0.33 0.00 0.00 0.00 178.15 178.99 2jqi h GLU 21 N 0.30 0.93 0.00 2.37 4.39 -0.45 0.90 114.58 123.03 2jqi h GLU 21 Ca -0.03 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 2jqi h GLU 21 Cb 1.27 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2jqi h GLU 21 CO 0.12 0.62 -0.14 0.87 -1.16 0.00 0.00 179.01 179.32 2jqi h LYS 22 N 0.96 0.00 -0.37 2.33 1.57 -1.46 -2.38 116.57 117.22 2jqi h LYS 22 Ca 0.37 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.19 2jqi h LYS 22 Cb 0.21 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 2jqi h LYS 22 CO -0.13 0.14 0.13 0.35 -0.57 0.00 0.00 179.45 179.36 2jqi h PHE 23 N 0.00 0.23 0.19 -1.35 3.04 -0.84 0.16 116.94 118.37 2jqi h PHE 23 Ca -0.00 0.02 -0.31 0.00 3.98 0.00 0.00 57.97 61.65 2jqi h PHE 23 Cb 0.46 -0.05 0.02 0.00 2.56 0.00 0.00 35.95 38.94 2jqi h PHE 23 CO 0.00 0.10 -1.43 0.77 -2.02 0.00 0.00 178.31 175.73 2jqi h SER 24 N 0.28 0.61 0.12 0.41 0.02 -1.58 -3.39 113.55 110.03 2jqi h SER 24 Ca 0.17 -0.70 -0.01 0.00 -0.84 0.00 0.00 61.79 60.41 2jqi h SER 24 Cb 0.14 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.48 2jqi h SER 24 CO -0.17 1.56 -0.06 -0.61 -1.14 0.00 0.00 176.83 176.41 2jqi h GLN 25 N 0.11 -0.15 -6.73 3.45 5.75 -1.21 -3.43 115.11 112.89 2jqi h GLN 25 Ca -0.22 0.01 -0.49 0.00 -0.15 0.00 0.00 58.65 57.80 2jqi h GLN 25 Cb 2.07 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 30.64 2jqi h GLN 25 CO 0.23 -0.10 0.36 -1.21 -2.65 0.00 0.00 178.83 175.45 2jqi s GLU 26 N -3.19 4.83 -0.18 1.69 8.01 0.54 -5.04 118.70 125.36 2jqi s GLU 26 Ca -0.02 1.50 -0.12 0.00 0.01 0.00 0.00 54.97 56.34 2jqi s GLU 26 Cb 0.00 -3.29 -0.05 0.00 -4.31 0.00 0.00 34.13 26.49 2jqi s GLU 26 CO 0.07 0.47 0.20 -0.65 0.01 0.00 0.00 175.26 175.36 2jqi s GLN 27 N -1.04 4.20 0.13 1.61 -0.21 -1.26 -4.63 119.66 118.46 2jqi s GLN 27 Ca 0.42 -0.08 -0.28 0.00 0.02 0.00 0.00 55.36 55.44 2jqi s GLN 27 Cb -0.26 -3.42 -0.07 0.00 1.00 0.00 0.00 33.01 30.27 2jqi s GLN 27 CO 0.32 0.29 0.89 -1.50 -2.12 0.00 0.00 175.29 173.17 2jqi s ILE 28 N 0.37 4.43 -0.03 1.08 2.07 -1.26 -4.32 121.20 123.53 2jqi s ILE 28 Ca 0.12 1.93 -0.00 0.00 -1.41 0.00 0.00 60.65 61.29 2jqi s ILE 28 Cb -0.12 -4.26 -0.00 0.00 0.13 0.00 0.00 42.46 38.21 2jqi s ILE 28 CO 0.01 0.40 0.03 0.61 -1.91 0.00 0.00 174.94 174.07 2jqi n GLY 29 N 2.01 0.45 0.17 1.50 0.00 -1.26 -5.00 105.19 103.05 2jqi n GLY 29 Ca -0.01 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.02 0.59 0.00 1.61 4.81 -2.02 -3.43 114.58 116.11 2jqi h GLU 30 Ca -0.01 -0.79 0.00 0.00 -0.13 0.00 0.00 59.36 58.42 2jqi h GLU 30 Cb 1.01 0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2jqi h GLU 30 CO 0.01 1.36 0.00 0.09 -0.73 0.00 0.00 179.01 179.74 2jqi n ASN 31 N -3.77 0.00 -4.74 1.04 3.02 -1.26 -5.08 115.26 104.47 2jqi n ASN 31 Ca -0.13 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.01 2jqi n ASN 31 Cb 0.99 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 40.12 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 3.44 -0.15 2.41 -1.09 -1.26 -1.17 121.20 123.38 2jqi s ILE 32 Ca 0.00 1.26 -0.11 0.00 -2.23 0.00 0.00 60.65 59.57 2jqi s ILE 32 Cb 0.00 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 2jqi s ILE 32 CO 0.00 0.22 -0.22 0.52 -1.23 0.00 0.00 174.94 174.23 2jqi n VAL 33 N 2.18 1.41 -3.81 2.92 0.31 0.11 -4.45 118.33 117.00 2jqi n VAL 33 Ca 0.03 0.20 -0.12 0.00 -0.01 0.00 0.00 64.34 64.44 2jqi n VAL 33 Cb 0.44 -2.37 -0.09 0.00 -0.91 0.00 0.00 33.84 30.91 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 -1.41 3.39 -0.23 0.00 3.00 0.34 -1.41 118.95 122.63 2jqi s ARG 35 Ca -0.14 -0.68 -0.17 0.00 -1.00 0.00 0.00 55.73 53.75 2jqi s ARG 35 Cb -0.06 -2.66 -0.03 0.00 0.00 0.00 0.00 34.95 32.19 2jqi s ARG 35 CO 0.03 0.19 0.44 0.14 0.00 0.00 0.00 175.30 176.10 2jqi s VAL 36 N 0.42 5.14 -0.06 7.11 -7.23 -1.07 0.12 120.40 124.83 2jqi s VAL 36 Ca -0.10 0.77 0.01 0.00 -1.81 0.00 0.00 61.98 60.86 2jqi s VAL 36 Cb -0.16 -3.77 0.02 0.00 0.56 0.00 0.00 36.38 33.03 2jqi s VAL 36 CO 0.05 0.18 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.31 2jqi s ILE 37 N 1.77 0.85 -0.43 -0.62 1.01 0.28 -1.71 121.20 122.35 2jqi s ILE 37 Ca 0.20 -0.29 -0.18 0.00 0.00 0.00 0.00 60.65 60.38 2jqi s ILE 37 Cb -0.15 -0.82 0.02 0.00 0.01 0.00 0.00 42.46 41.52 2jqi s ILE 37 CO 0.09 0.30 0.50 0.00 0.00 0.00 0.00 174.94 175.83 2jqi h THR 39 N 5.77 0.47 0.00 0.00 1.35 -1.91 -3.30 112.91 115.29 2jqi h THR 39 Ca -0.26 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.78 2jqi h THR 39 Cb 1.11 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.55 2jqi h THR 39 CO 0.82 0.27 0.00 0.35 -0.25 0.00 0.00 175.52 176.71 2jqi n THR 40 N -2.94 0.00 -2.08 6.82 -2.24 -1.26 -4.95 114.28 107.63 2jqi n THR 40 Ca -0.04 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.71 2jqi n THR 40 Cb 0.75 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 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 1.12 -0.91 0.14 3.38 0.00 -1.24 -5.01 105.19 102.67 2jqi n GLY 41 Ca 0.20 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -0.57 0.00 -4.51 1.61 6.02 -1.26 -5.11 117.38 113.55 2jqi n GLN 42 Ca 0.04 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.82 2jqi n GLN 42 Cb 0.24 -0.27 -0.15 0.00 1.02 0.00 0.00 30.24 31.09 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 -1.07 1.03 0.42 5.09 1.01 -1.26 -4.32 121.20 122.10 2jqi s ILE 43 Ca 0.00 -0.66 -0.24 0.00 0.00 0.00 0.00 60.65 59.75 2jqi s ILE 43 Cb 0.00 -0.88 -0.08 0.00 0.01 0.00 0.00 42.46 41.51 2jqi s ILE 43 CO 0.00 0.21 1.10 -2.16 0.00 0.00 0.00 174.94 174.09 2jqi s PRO 44 N -0.52 4.00 0.84 2.79 0.04 -1.26 -3.95 135.00 136.93 2jqi s PRO 44 Ca 0.04 1.63 -0.13 0.00 0.04 0.00 0.00 61.00 62.58 2jqi s PRO 44 Cb -0.06 -2.50 0.05 0.00 0.04 0.00 0.00 34.50 32.04 2jqi s PRO 44 CO -0.00 -0.31 0.84 -0.89 0.04 0.00 0.00 177.00 176.68 2jqi n ILE 45 N -0.23 1.26 -3.86 0.56 5.41 -1.26 -4.82 119.36 116.42 2jqi n ILE 45 Ca 0.06 -0.23 -0.10 0.00 1.00 0.00 0.00 62.75 63.49 2jqi n ILE 45 Cb 0.49 -0.93 -0.06 0.00 -0.71 0.00 0.00 39.64 38.43 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 -3.73 1.17 -0.18 0.38 6.06 -0.70 -5.03 118.95 116.92 2jqi s ARG 46 Ca 0.67 -1.03 0.01 0.00 -2.50 0.00 0.00 55.73 52.87 2jqi s ARG 46 Cb -0.28 0.42 0.02 0.00 0.06 0.00 0.00 34.95 35.17 2jqi s ARG 46 CO 0.57 -0.45 -0.19 0.16 -2.50 0.00 0.00 175.30 172.89 2jqi s ASP 47 N -2.92 3.20 -0.16 -2.12 1.47 -1.26 -2.59 116.67 112.29 2jqi s ASP 47 Ca 0.13 -0.64 -0.08 0.00 1.18 0.00 0.00 52.55 53.13 2jqi s ASP 47 Cb 0.02 -1.49 -0.04 0.00 -0.34 0.00 0.00 42.92 41.06 2jqi s ASP 47 CO -0.03 -0.00 0.12 -0.76 0.68 0.00 0.00 175.17 175.18 2jqi s LEU 48 N 1.30 4.21 0.07 2.11 1.43 -0.50 -5.02 118.68 122.27 2jqi s LEU 48 Ca 0.05 0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 53.39 2jqi s LEU 48 Cb -0.13 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 2jqi s LEU 48 CO -0.12 0.28 0.12 -0.94 0.23 0.00 0.00 176.35 175.92 2jqi s SER 49 N -0.28 0.21 -0.00 2.29 1.04 -1.26 0.07 113.70 115.77 2jqi s SER 49 Ca 0.11 -0.70 -0.08 0.00 0.48 0.00 0.00 55.95 55.76 2jqi s SER 49 Cb -0.12 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2jqi s SER 49 CO 0.01 -0.65 0.16 0.00 0.98 0.00 0.00 173.24 173.74 2jqi s ALA 50 N -3.60 -0.39 -0.15 5.32 0.00 -0.32 -4.78 121.76 117.84 2jqi s ALA 50 Ca 0.03 -0.07 -0.29 0.00 0.00 0.00 0.00 51.96 51.63 2jqi s ALA 50 Cb 0.04 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 2jqi s ALA 50 CO -0.09 -0.21 1.27 -0.51 0.00 0.00 0.00 175.76 176.21 2jqi s ASP 51 N -1.36 6.95 0.16 0.00 1.01 -1.26 -4.70 116.67 117.47 2jqi s ASP 51 Ca -0.14 1.72 -0.12 0.00 0.71 0.00 0.00 52.55 54.72 2jqi s ASP 51 Cb -0.07 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.37 2jqi s ASP 51 CO 0.02 -0.75 1.67 0.40 0.21 0.00 0.00 175.17 176.73 2jqi h ILE 52 N 5.44 1.25 -1.00 0.77 2.04 -1.98 -2.46 117.51 121.57 2jqi h ILE 52 Ca -0.28 -0.88 0.07 0.00 1.00 0.00 0.00 64.86 64.78 2jqi h ILE 52 Cb 1.11 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 37.87 2jqi h ILE 52 CO 0.96 0.32 0.64 0.28 0.00 0.00 0.00 178.15 180.36 2jqi h SER 53 N 0.80 1.02 -0.42 1.72 0.02 -1.99 -0.62 113.55 114.08 2jqi h SER 53 Ca 0.18 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 61.01 2jqi h SER 53 Cb 0.34 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2jqi h SER 53 CO 0.00 0.64 -0.26 1.56 -1.14 0.00 0.00 176.83 177.63 2jqi h GLN 54 N 1.15 0.94 -0.58 3.45 1.08 -1.91 -2.31 115.11 116.93 2jqi h GLN 54 Ca 0.44 -0.42 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 2jqi h GLN 54 Cb 0.21 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.59 2jqi h GLN 54 CO -0.19 1.09 0.27 0.28 -0.95 0.00 0.00 178.83 179.33 2jqi h VAL 55 N 0.80 1.21 0.00 -0.54 2.07 -0.79 0.36 116.25 119.37 2jqi h VAL 55 Ca 0.10 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 2jqi h VAL 55 Cb 0.83 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2jqi h VAL 55 CO 0.07 0.25 -0.11 -0.07 0.02 0.00 0.00 177.57 177.73 2jqi h LEU 56 N 0.80 0.00 -3.00 2.57 3.38 -1.09 -2.86 115.31 115.11 2jqi h LEU 56 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2jqi h LEU 56 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2jqi h LEU 56 CO -0.02 0.11 0.00 0.29 0.09 0.00 0.00 178.44 178.91 2jqi n LYS 57 N -3.26 2.94 -4.49 1.13 5.02 -0.85 -4.97 118.16 113.68 2jqi n LYS 57 Ca 0.00 -2.33 -0.34 0.00 -2.02 0.00 0.00 58.31 53.62 2jqi n LYS 57 Cb 0.37 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 33.80 2jqi n LYS 57 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2jqi s GLU 58 N -1.55 3.08 0.07 1.97 2.56 0.12 -5.00 118.70 119.95 2jqi s GLU 58 Ca 0.31 -0.50 -0.32 0.00 0.00 0.00 0.00 54.97 54.45 2jqi s GLU 58 Cb 0.20 -2.74 -0.11 0.00 2.00 0.00 0.00 34.13 33.47 2jqi s GLU 58 CO 0.15 0.55 1.82 1.17 -0.56 0.00 0.00 175.26 178.39 2jqi n LYS 59 N 2.58 2.54 -1.52 4.30 3.00 -1.26 -4.78 118.16 123.02 2jqi n LYS 59 Ca -0.18 0.92 -0.38 0.00 -0.00 0.00 0.00 58.31 58.67 2jqi n LYS 59 Cb 0.53 -2.79 -0.10 0.00 0.00 0.00 0.00 35.03 32.66 2jqi n LYS 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2jqi n ARG 60 N 5.68 0.42 0.00 1.64 1.74 -1.26 -3.71 116.66 121.18 2jqi n ARG 60 Ca 0.19 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2jqi n ARG 60 Cb 0.34 -2.31 0.00 0.00 -1.02 0.00 0.00 32.46 29.47 2jqi n ARG 60 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2jqi n SER 61 N 12.72 0.00 -3.61 0.55 7.64 -1.26 -4.61 113.62 125.06 2jqi n SER 61 Ca 0.54 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 60.36 2jqi n SER 61 Cb 0.25 0.07 -0.05 0.00 -1.01 0.00 0.00 64.21 63.47 2jqi n SER 61 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2jqi s ILE 62 N -1.59 0.00 0.14 0.44 1.10 -1.24 -3.15 121.20 116.90 2jqi s ILE 62 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.14 2jqi s ILE 62 Cb 0.00 -1.00 0.00 0.00 0.15 0.00 0.00 42.46 41.61 2jqi s ILE 62 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 174.94 173.12 2jqi n LYS 63 N 0.59 0.00 -3.78 3.50 4.01 -0.07 -4.80 118.16 117.62 2jqi n LYS 63 Ca -0.05 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.62 2jqi n LYS 63 Cb 0.58 -0.11 -0.12 0.00 -0.51 0.00 0.00 35.03 34.86 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 -1.63 0.22 -0.03 1.97 2.20 -1.16 -5.01 119.74 116.31 2jqi s LYS 64 Ca 0.00 0.36 0.05 0.00 -0.36 0.00 0.00 55.97 56.02 2jqi s LYS 64 Cb 0.00 0.03 -0.01 0.00 -1.51 0.00 0.00 37.83 36.34 2jqi s LYS 64 CO 0.00 -0.08 -0.17 0.08 -0.36 0.00 0.00 175.35 174.82 2jqi s VAL 65 N 0.50 1.39 -0.11 4.02 1.01 -1.26 -1.00 120.40 124.95 2jqi s VAL 65 Ca -0.03 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.16 2jqi s VAL 65 Cb -0.05 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 2jqi s VAL 65 CO -0.03 0.40 0.10 0.26 0.00 0.00 0.00 175.10 175.84 2jqi s TRP 66 N -0.23 3.48 -0.14 5.22 0.51 0.54 -4.88 118.94 123.44 2jqi s TRP 66 Ca 0.02 0.43 -0.02 0.00 -2.12 0.00 0.00 56.10 54.42 2jqi s TRP 66 Cb -0.09 -1.91 -0.02 0.00 -0.81 0.00 0.00 33.47 30.65 2jqi s TRP 66 CO 0.00 0.65 -0.08 0.99 -0.51 0.00 0.00 176.95 178.00 2jqi s THR 67 N -0.95 3.47 0.06 2.01 2.01 -1.26 0.15 115.64 121.13 2jqi s THR 67 Ca 0.14 -0.51 0.10 0.00 0.31 0.00 0.00 61.69 61.73 2jqi s THR 67 Cb -0.12 -2.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 2jqi s THR 67 CO 0.03 0.51 -0.26 -0.36 -0.69 0.00 0.00 174.62 173.85 2jqi s PHE 68 N 0.33 2.31 -4.46 4.92 0.40 0.42 0.18 117.98 122.09 2jqi s PHE 68 Ca -0.07 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.85 2jqi s PHE 68 Cb -0.15 -1.36 0.00 0.00 0.51 0.00 0.00 43.02 42.02 2jqi s PHE 68 CO 0.04 0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.53 2jqi n GLY 69 N 1.64 -1.13 0.22 4.36 0.00 -0.34 0.17 105.19 110.10 2jqi n GLY 69 Ca -0.17 -1.15 0.11 0.00 0.00 0.00 0.00 46.02 44.81 2jqi n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jqi n ARG 70 N 0.00 1.29 -2.98 1.61 1.74 0.28 -0.58 116.66 118.01 2jqi n ARG 70 Ca 0.00 -0.43 -0.40 0.00 -0.77 0.00 0.00 57.85 56.25 2jqi n ARG 70 Cb 0.00 -1.36 -0.05 0.00 -1.02 0.00 0.00 32.46 30.03 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 -1.64 7.17 0.25 0.55 3.04 0.13 -4.78 114.94 119.66 2jqi s ASN 71 Ca 0.32 1.40 0.21 0.00 0.04 0.00 0.00 52.86 54.83 2jqi s ASN 71 Cb 0.16 -2.46 0.98 0.00 -1.54 0.00 0.00 41.25 38.38 2jqi s ASN 71 CO 0.25 -0.02 1.64 -2.65 -3.04 0.00 0.00 177.10 173.28 2jqi n PRO 72 N 3.06 0.15 0.04 0.43 -0.02 -1.26 -1.86 135.00 135.54 2jqi n PRO 72 Ca -0.02 0.49 -0.21 0.00 -2.02 0.00 0.00 63.50 61.74 2jqi n PRO 72 Cb 0.50 -1.86 -0.14 0.00 -0.02 0.00 0.00 33.50 31.98 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 2.18 0.02 -1.42 3.55 0.00 -1.93 -3.46 119.26 118.19 2jqi h ALA 73 Ca 0.00 -0.89 -0.64 0.00 0.00 0.00 0.00 54.91 53.38 2jqi h ALA 73 Cb 0.21 0.28 0.11 0.00 0.00 0.00 0.00 17.79 18.39 2jqi h ALA 73 CO 0.00 0.61 -0.24 0.00 0.00 0.00 0.00 179.25 179.63 2jqi h ASP 75 N 1.47 0.00 -3.37 0.00 3.32 0.16 -3.38 116.42 114.62 2jqi h ASP 75 Ca -0.33 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.22 2jqi h ASP 75 Cb 1.40 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.60 2jqi h ASP 75 CO 0.59 0.00 -0.81 -0.47 -1.72 0.00 0.00 179.24 176.83 2jqi s TYR 76 N -3.98 1.35 -0.40 4.55 5.04 -0.35 -4.95 117.35 118.62 2jqi s TYR 76 Ca -0.04 -0.52 -0.11 0.00 -2.44 0.00 0.00 57.07 53.96 2jqi s TYR 76 Cb 0.09 -1.04 0.05 0.00 0.35 0.00 0.00 41.96 41.41 2jqi s TYR 76 CO 0.30 -0.31 0.24 -1.58 -1.34 0.00 0.00 175.55 172.85 2jqi s HIS 77 N 0.93 3.27 0.00 4.97 5.65 -1.24 -1.20 115.29 127.67 2jqi s HIS 77 Ca -0.10 -1.15 0.00 0.00 0.25 0.00 0.00 55.06 54.06 2jqi s HIS 77 Cb -0.15 -2.66 0.00 0.00 -1.18 0.00 0.00 32.58 28.59 2jqi s HIS 77 CO 0.01 -0.73 0.00 1.28 -0.65 0.00 0.00 174.74 174.65 2jqi n LEU 78 N 4.99 0.00 -1.18 8.88 4.77 0.26 -4.79 117.00 129.92 2jqi n LEU 78 Ca -0.11 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.91 2jqi n LEU 78 Cb 0.45 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.76 2jqi n LEU 78 CO 0.38 -0.46 0.61 0.61 -1.33 0.00 0.00 177.39 177.20 2jqi n GLY 79 N 4.18 2.05 2.77 -0.72 0.00 -1.26 -4.86 105.19 107.35 2jqi n GLY 79 Ca 0.00 -0.51 -0.07 0.00 0.00 0.00 0.00 46.02 45.44 2jqi n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jqi n ASN 80 N 0.43 -7.59 -4.45 1.61 3.02 -1.26 -5.02 115.26 102.00 2jqi n ASN 80 Ca 0.15 0.49 -0.33 0.00 -0.03 0.00 0.00 54.58 54.86 2jqi n ASN 80 Cb 0.70 -5.13 -0.13 0.00 -0.61 0.00 0.00 39.78 34.60 2jqi n ASN 80 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jqi s ILE 81 N -2.52 3.40 0.41 2.41 1.01 -1.26 -5.00 121.20 119.65 2jqi s ILE 81 Ca 0.23 -0.55 0.14 0.00 0.00 0.00 0.00 60.65 60.46 2jqi s ILE 81 Cb -0.06 -2.44 0.34 0.00 0.01 0.00 0.00 42.46 40.31 2jqi s ILE 81 CO 0.72 0.53 1.93 -1.28 0.00 0.00 0.00 174.94 176.84 2jqi h SER 82 N 6.40 0.44 0.64 3.58 0.87 -1.99 0.82 113.55 124.31 2jqi h SER 82 Ca -0.32 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.18 2jqi h SER 82 Cb 1.20 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 2jqi h SER 82 CO 0.57 0.24 -0.37 -0.09 -0.53 0.00 0.00 176.83 176.65 2jqi h ARG 83 N 0.48 0.00 -6.17 2.24 9.65 -1.94 -3.44 114.38 115.20 2jqi h ARG 83 Ca 0.36 0.00 -0.56 0.00 -1.10 0.00 0.00 59.98 58.67 2jqi h ARG 83 Cb 0.72 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.27 2jqi h ARG 83 CO -0.12 0.37 -0.34 -0.51 2.80 0.00 0.00 179.97 182.17 2jqi s LEU 84 N -7.43 4.26 0.39 3.80 1.43 0.28 -4.52 118.68 116.88 2jqi s LEU 84 Ca -0.01 0.46 0.04 0.00 -1.03 0.00 0.00 54.13 53.59 2jqi s LEU 84 Cb 0.12 -3.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.13 2jqi s LEU 84 CO 0.69 0.02 0.56 -0.44 0.23 0.00 0.00 176.35 177.41 2jqi s SER 85 N -2.80 5.91 0.22 2.29 0.01 -1.26 -4.65 113.70 113.42 2jqi s SER 85 Ca 0.39 0.04 -0.16 0.00 1.31 0.00 0.00 55.95 57.53 2jqi s SER 85 Cb -0.12 -1.38 0.24 0.00 0.21 0.00 0.00 66.02 64.97 2jqi s SER 85 CO 0.27 -0.55 1.57 0.78 0.41 0.00 0.00 173.24 175.72 2jqi h ASN 86 N 0.66 -1.14 -3.46 2.44 2.35 -1.92 -2.54 115.58 111.97 2jqi h ASN 86 Ca -0.46 0.26 -0.63 0.00 -0.55 0.00 0.00 56.30 54.93 2jqi h ASN 86 Cb 1.25 0.62 -0.42 0.00 0.05 0.00 0.00 38.32 39.83 2jqi h ASN 86 CO 0.55 -0.29 -0.57 -1.59 -1.65 0.00 0.00 177.43 173.87 2jqi s LYS 87 N -6.06 2.36 0.13 0.81 -2.85 -1.26 1.00 119.74 113.87 2jqi s LYS 87 Ca -0.14 -3.15 -0.17 0.00 -1.00 0.00 0.00 55.97 51.51 2jqi s LYS 87 Cb 0.20 -3.41 -0.01 0.00 -2.06 0.00 0.00 37.83 32.54 2jqi s LYS 87 CO 0.72 -1.24 1.73 1.25 0.10 0.00 0.00 175.35 177.92 2jqi h HIS 88 N 5.71 0.50 -4.09 1.78 2.76 0.21 -3.36 115.15 118.66 2jqi h HIS 88 Ca 0.08 -0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.12 2jqi h HIS 88 Cb 0.79 -0.16 -0.14 0.00 1.55 0.00 0.00 27.41 29.45 2jqi h HIS 88 CO 0.64 0.40 -0.51 -0.59 -1.30 0.00 0.00 177.93 176.58 2jqi s PHE 89 N -5.83 0.48 -0.02 5.26 -0.71 -0.25 0.14 117.98 117.05 2jqi s PHE 89 Ca -0.13 -0.91 0.01 0.00 -1.04 0.00 0.00 56.93 54.86 2jqi s PHE 89 Cb 0.10 -0.25 0.01 0.00 -1.21 0.00 0.00 43.02 41.67 2jqi s PHE 89 CO 0.73 -0.53 -0.04 -1.14 -1.34 0.00 0.00 175.22 172.89 2jqi s GLN 90 N -3.95 0.57 -0.16 1.99 0.74 0.51 0.16 119.66 119.53 2jqi s GLN 90 Ca 0.13 -0.11 -0.02 0.00 0.05 0.00 0.00 55.36 55.41 2jqi s GLN 90 Cb 0.06 -0.60 -0.02 0.00 1.10 0.00 0.00 33.01 33.55 2jqi s GLN 90 CO -0.05 -0.01 -0.07 0.42 -0.55 0.00 0.00 175.29 175.03 2jqi s ILE 91 N 0.50 3.46 0.06 -2.34 1.01 0.40 0.19 121.20 124.48 2jqi s ILE 91 Ca -0.06 -0.50 0.07 0.00 0.00 0.00 0.00 60.65 60.16 2jqi s ILE 91 Cb -0.09 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 2jqi s ILE 91 CO -0.00 0.49 -0.15 -1.48 0.00 0.00 0.00 174.94 173.80 2jqi s LEU 92 N 0.60 2.79 -0.13 2.97 0.05 0.23 0.20 118.68 125.40 2jqi s LEU 92 Ca -0.05 -0.40 0.01 0.00 0.05 0.00 0.00 54.13 53.74 2jqi s LEU 92 Cb -0.15 -1.63 0.02 0.00 -2.05 0.00 0.00 46.19 42.38 2jqi s LEU 92 CO 0.03 0.23 -0.15 -0.22 -0.55 0.00 0.00 176.35 175.69 2jqi s LEU 93 N -1.72 1.69 0.00 1.48 2.96 -0.17 0.37 118.68 123.29 2jqi s LEU 93 Ca 0.17 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 2jqi s LEU 93 Cb -0.11 -1.12 0.00 0.00 0.50 0.00 0.00 46.19 45.46 2jqi s LEU 93 CO 0.08 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.70 2jqi n GLY 94 N 4.47 0.33 3.05 7.98 0.00 -1.17 -0.89 105.19 118.95 2jqi n GLY 94 Ca -0.18 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 0.00 1.61 4.07 -1.19 -4.01 120.64 121.12 2jqi n GLU 95 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2jqi n GLU 95 Cb 0.00 -0.63 0.00 0.00 -0.06 0.00 0.00 31.44 30.75 2jqi n GLU 95 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2jqi n ASP 96 N 0.14 0.00 0.00 4.31 -0.08 -1.26 -4.06 116.55 115.60 2jqi n ASP 96 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2jqi n ASP 96 Cb 0.00 0.04 0.00 0.00 2.34 0.00 0.00 41.12 43.50 2jqi n ASP 96 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jqi n GLY 97 N -0.90 0.46 0.88 0.27 0.00 -1.26 -4.99 105.19 99.64 2jqi n GLY 97 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 2jqi n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jqi n ASN 98 N 0.00 -0.60 -4.68 1.61 3.02 -1.26 -4.77 115.26 108.59 2jqi n ASN 98 Ca 0.00 -0.89 -0.24 0.00 -0.03 0.00 0.00 54.58 53.41 2jqi n ASN 98 Cb 0.00 -0.24 -0.07 0.00 -0.61 0.00 0.00 39.78 38.86 2jqi n ASN 98 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2jqi s LEU 99 N 0.00 3.33 0.04 3.41 0.20 -1.26 -3.07 118.68 121.32 2jqi s LEU 99 Ca 0.17 -0.48 0.03 0.00 0.69 0.00 0.00 54.13 54.54 2jqi s LEU 99 Cb -0.01 -1.91 -0.02 0.00 -0.43 0.00 0.00 46.19 43.82 2jqi s LEU 99 CO 0.13 0.04 -0.10 -0.76 -0.29 0.00 0.00 176.35 175.36 2jqi s LEU 100 N -3.37 2.18 -0.18 -0.68 1.43 0.16 -2.21 118.68 116.01 2jqi s LEU 100 Ca 0.30 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.93 2jqi s LEU 100 Cb -0.08 -0.39 -0.01 0.00 0.03 0.00 0.00 46.19 45.74 2jqi s LEU 100 CO 0.20 -0.05 -0.08 -0.76 0.23 0.00 0.00 176.35 175.89 2jqi s LEU 101 N -1.18 2.84 -0.23 1.79 1.43 -0.07 -0.60 118.68 122.66 2jqi s LEU 101 Ca -0.03 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 2jqi s LEU 101 Cb -0.08 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.48 2jqi s LEU 101 CO 0.01 0.06 -0.11 0.21 0.23 0.00 0.00 176.35 176.75 2jqi s ASN 102 N 0.97 3.99 0.24 2.29 2.47 0.52 -2.06 114.94 123.36 2jqi s ASN 102 Ca -0.01 -0.90 -0.30 0.00 0.42 0.00 0.00 52.86 52.07 2jqi s ASN 102 Cb -0.15 -1.59 -0.09 0.00 -1.45 0.00 0.00 41.25 37.98 2jqi s ASN 102 CO -0.00 -0.10 0.99 1.51 -3.72 0.00 0.00 177.10 175.78 2jqi s ASP 103 N 1.27 7.53 -0.29 -4.21 1.47 -1.25 0.19 116.67 121.38 2jqi s ASP 103 Ca -0.00 2.03 0.19 0.00 1.18 0.00 0.00 52.55 55.95 2jqi s ASP 103 Cb -0.16 -2.61 0.47 0.00 -0.34 0.00 0.00 42.92 40.27 2jqi s ASP 103 CO -0.07 0.06 1.28 2.30 0.68 0.00 0.00 175.17 179.42 2jqi n ILE 104 N 1.49 0.77 -3.93 2.11 -5.35 -0.66 0.22 119.36 114.01 2jqi n ILE 104 Ca -0.01 -2.17 -0.29 0.00 -0.27 0.00 0.00 62.75 60.01 2jqi n ILE 104 Cb 0.46 1.19 -0.04 0.00 -1.74 0.00 0.00 39.64 39.51 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 -2.75 6.35 0.31 7.28 0.01 0.36 -4.20 113.70 121.06 2jqi s SER 105 Ca 0.20 0.23 0.09 0.00 1.31 0.00 0.00 55.95 57.78 2jqi s SER 105 Cb 0.37 -1.94 0.51 0.00 0.21 0.00 0.00 66.02 65.17 2jqi s SER 105 CO -0.08 0.12 1.72 0.74 0.41 0.00 0.00 173.24 176.16 2jqi h THR 106 N 1.89 1.31 0.00 1.44 2.02 -1.87 -3.18 112.91 114.52 2jqi h THR 106 Ca -0.46 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.19 2jqi h THR 106 Cb 1.17 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 2jqi h THR 106 CO 0.73 0.45 -1.81 0.59 0.37 0.00 0.00 175.52 175.84 2jqi n ASN 107 N -4.02 0.16 0.00 4.18 3.02 -1.26 -5.09 115.26 112.24 2jqi n ASN 107 Ca -0.02 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 2jqi n ASN 107 Cb 0.47 1.71 0.00 0.00 -0.61 0.00 0.00 39.78 41.36 2jqi n ASN 107 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jqi n GLY 108 N 1.25 3.26 3.36 7.41 0.00 -1.20 -4.85 105.19 114.42 2jqi n GLY 108 Ca -0.03 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.54 2.47 0.09 2.61 2.01 -1.26 -4.32 115.64 114.70 2jqi s THR 109 Ca 0.00 -0.93 0.09 0.00 0.31 0.00 0.00 61.69 61.16 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 -0.21 0.26 -0.69 0.00 0.00 174.62 174.56 2jqi s TRP 110 N -0.43 2.47 -0.21 4.92 0.51 0.35 -2.63 118.94 123.91 2jqi s TRP 110 Ca 0.05 -0.30 0.01 0.00 -2.12 0.00 0.00 56.10 53.74 2jqi s TRP 110 Cb -0.12 -1.36 0.05 0.00 -0.81 0.00 0.00 33.47 31.23 2jqi s TRP 110 CO 0.01 0.32 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.51 2jqi s LEU 111 N -1.87 2.41 -1.65 2.99 2.96 0.12 0.12 118.68 123.75 2jqi s LEU 111 Ca 0.16 -0.97 -0.13 0.00 -0.22 0.00 0.00 54.13 52.97 2jqi s LEU 111 Cb -0.10 -1.25 0.12 0.00 0.50 0.00 0.00 46.19 45.45 2jqi s LEU 111 CO 0.07 -0.16 0.55 0.59 -1.32 0.00 0.00 176.35 176.08 2jqi n ASN 112 N 4.66 -1.71 0.00 3.68 5.03 -1.15 0.86 115.26 126.64 2jqi n ASN 112 Ca -0.14 -1.10 0.00 0.00 0.87 0.00 0.00 54.58 54.21 2jqi n ASN 112 Cb 0.46 -2.41 0.00 0.00 -1.02 0.00 0.00 39.78 36.81 2jqi n ASN 112 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jqi n GLY 113 N -1.65 1.99 3.47 7.41 0.00 -1.26 -5.01 105.19 110.14 2jqi n GLY 113 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.34 3.60 -0.09 1.61 0.74 0.25 -5.06 119.66 120.37 2jqi s GLN 114 Ca 0.00 -0.53 -0.30 0.00 0.05 0.00 0.00 55.36 54.59 2jqi s GLN 114 Cb 0.00 -3.45 -0.03 0.00 1.10 0.00 0.00 33.01 30.63 2jqi s GLN 114 CO 0.00 -0.26 1.29 0.21 -0.55 0.00 0.00 175.29 175.98 2jqi s LYS 115 N 1.64 4.28 0.44 1.67 2.47 -1.26 0.12 119.74 129.09 2jqi s LYS 115 Ca 0.06 1.75 0.01 0.00 -1.56 0.00 0.00 55.97 56.23 2jqi s LYS 115 Cb -0.16 -3.68 -0.00 0.00 -1.46 0.00 0.00 37.83 32.53 2jqi s LYS 115 CO 0.06 -0.61 0.66 0.14 0.16 0.00 0.00 175.35 175.76 2jqi s VAL 116 N 2.93 3.99 0.06 4.02 -7.23 -1.08 -4.95 120.40 118.15 2jqi s VAL 116 Ca 0.58 -0.53 -0.31 0.00 -1.81 0.00 0.00 61.98 59.92 2jqi s VAL 116 Cb -0.25 -3.47 -0.07 0.00 0.56 0.00 0.00 36.38 33.15 2jqi s VAL 116 CO 0.20 -0.32 1.40 -0.70 -0.31 0.00 0.00 175.10 175.36 2jqi s GLU 117 N -4.53 4.31 0.97 4.82 2.56 -1.26 -4.67 118.70 120.89 2jqi s GLU 117 Ca 0.48 2.03 -0.13 0.00 0.00 0.00 0.00 54.97 57.35 2jqi s GLU 117 Cb -0.10 -3.41 0.07 0.00 2.00 0.00 0.00 34.13 32.69 2jqi s GLU 117 CO 0.37 -0.50 0.50 1.17 -0.56 0.00 0.00 175.26 176.24 2jqi n LYS 118 N 4.62 -0.48 -2.81 4.30 4.81 -1.26 -2.32 118.16 125.02 2jqi n LYS 118 Ca 0.12 -0.10 -0.15 0.00 -0.87 0.00 0.00 58.31 57.31 2jqi n LYS 118 Cb 0.43 -1.93 -0.03 0.00 0.02 0.00 0.00 35.03 33.52 2jqi n LYS 118 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2jqi n ASN 119 N -1.88 -1.02 -4.56 3.14 0.23 0.59 -4.85 115.26 106.91 2jqi n ASN 119 Ca 0.07 -0.26 -0.31 0.00 -0.53 0.00 0.00 54.58 53.55 2jqi n ASN 119 Cb 0.54 -0.94 -0.11 0.00 -2.08 0.00 0.00 39.78 37.19 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 -2.03 4.41 -0.04 0.53 0.15 -0.98 -4.90 113.70 110.84 2jqi s SER 120 Ca 0.30 -0.24 -0.26 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 63.16 2jqi s SER 120 CO 0.37 0.26 0.81 0.20 1.20 0.00 0.00 173.24 176.08 2jqi s ASN 121 N -1.53 7.15 0.06 5.45 -0.87 -1.26 -3.96 114.94 119.97 2jqi s ASN 121 Ca 0.17 1.38 0.05 0.00 -1.57 0.00 0.00 52.86 52.90 2jqi s ASN 121 Cb -0.11 -2.48 -0.03 0.00 -0.02 0.00 0.00 41.25 38.62 2jqi s ASN 121 CO 0.08 -0.17 -0.15 -1.10 -2.57 0.00 0.00 177.10 173.19 2jqi s GLN 122 N 0.84 0.94 0.14 -0.60 -1.52 -0.88 -4.92 119.66 113.66 2jqi s GLN 122 Ca 0.43 -0.88 -0.30 0.00 -1.95 0.00 0.00 55.36 52.66 2jqi s GLN 122 Cb -0.19 -0.98 -0.07 0.00 -0.22 0.00 0.00 33.01 31.55 2jqi s GLN 122 CO 0.22 0.23 1.22 -1.17 -0.25 0.00 0.00 175.29 175.54 2jqi s LEU 123 N -1.44 4.42 0.71 2.90 2.96 -1.26 -0.89 118.68 126.07 2jqi s LEU 123 Ca 0.01 2.17 -0.15 0.00 -0.22 0.00 0.00 54.13 55.94 2jqi s LEU 123 Cb -0.09 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 43.03 2jqi s LEU 123 CO 0.02 -0.43 1.17 -0.22 -1.32 0.00 0.00 176.35 175.57 2jqi s LEU 124 N 0.32 3.34 0.14 -0.68 2.96 -0.94 -4.84 118.68 118.99 2jqi s LEU 124 Ca 0.56 2.23 0.09 0.00 -0.22 0.00 0.00 54.13 56.78 2jqi s LEU 124 Cb -0.32 -4.58 -0.04 0.00 0.50 0.00 0.00 46.19 41.76 2jqi s LEU 124 CO 0.33 -2.04 -0.20 -0.55 -1.32 0.00 0.00 176.35 172.58 2jqi s SER 125 N -2.22 2.66 -0.06 3.68 0.15 -1.26 -4.98 113.70 111.66 2jqi s SER 125 Ca 0.72 -0.79 -0.30 0.00 0.70 0.00 0.00 55.95 56.28 2jqi s SER 125 Cb -0.26 -0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 63.86 2jqi s SER 125 CO 0.44 0.01 1.39 -1.10 1.20 0.00 0.00 173.24 175.18 2jqi s GLN 126 N -2.43 4.26 -1.79 5.44 -1.52 -1.26 -2.69 119.66 119.67 2jqi s GLN 126 Ca 0.12 1.89 0.00 0.00 -1.95 0.00 0.00 55.36 55.43 2jqi s GLN 126 Cb -0.08 -3.70 0.00 0.00 -0.22 0.00 0.00 33.01 29.01 2jqi s GLN 126 CO 0.06 -0.65 0.00 0.41 -0.25 0.00 0.00 175.29 174.86 2jqi n GLY 127 N 3.70 0.87 3.32 3.09 0.00 -1.17 -4.93 105.19 110.07 2jqi n GLY 127 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.41 -2.29 -3.78 1.61 2.03 -1.09 -4.51 116.55 107.10 2jqi n ASP 128 Ca -0.20 -0.19 -0.13 0.00 0.52 0.00 0.00 54.79 54.80 2jqi n ASP 128 Cb 0.62 -1.04 -0.13 0.00 -0.72 0.00 0.00 41.12 39.86 2jqi n ASP 128 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2jqi s GLU 129 N -3.78 0.19 -0.17 -0.67 2.12 -1.26 0.22 118.70 115.35 2jqi s GLU 129 Ca 0.60 0.35 -0.04 0.00 0.36 0.00 0.00 54.97 56.24 2jqi s GLU 129 Cb -0.16 -0.01 -0.02 0.00 0.26 0.00 0.00 34.13 34.20 2jqi s GLU 129 CO 0.65 -0.09 -0.03 0.42 -0.54 0.00 0.00 175.26 175.67 2jqi s ILE 130 N 0.60 3.83 -0.09 -3.70 1.01 0.42 -2.95 121.20 120.31 2jqi s ILE 130 Ca -0.04 -0.37 -0.04 0.00 0.00 0.00 0.00 60.65 60.20 2jqi s ILE 130 Cb -0.06 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 2jqi s ILE 130 CO -0.03 0.47 0.05 -0.89 0.00 0.00 0.00 174.94 174.55 2jqi s THR 131 N 0.58 4.75 0.05 2.92 2.01 0.32 -0.20 115.64 126.07 2jqi s THR 131 Ca -0.03 -0.10 -0.01 0.00 0.31 0.00 0.00 61.69 61.87 2jqi s THR 131 Cb -0.14 -3.04 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 2jqi s THR 131 CO 0.02 0.60 -0.02 0.68 -0.69 0.00 0.00 174.62 175.21 2jqi s VAL 132 N -0.95 0.20 0.00 3.82 -7.23 0.11 0.13 120.40 116.48 2jqi s VAL 132 Ca 0.14 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 2jqi s VAL 132 Cb -0.12 -1.30 0.00 0.00 0.56 0.00 0.00 36.38 35.52 2jqi s VAL 132 CO 0.04 -0.90 0.00 0.61 -0.31 0.00 0.00 175.10 174.54 2jqi n GLY 133 N 0.35 0.81 3.77 2.32 0.00 -1.26 0.12 105.19 111.30 2jqi n GLY 133 Ca -0.16 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 44.85 2jqi n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jqi s VAL 134 N -3.00 4.29 0.00 1.61 1.01 -1.26 -2.54 120.40 120.51 2jqi s VAL 134 Ca 0.00 1.80 0.00 0.00 0.00 0.00 0.00 61.98 63.78 2jqi s VAL 134 Cb 0.00 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.21 2jqi s VAL 134 CO 0.00 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2jqi n GLY 135 N 1.47 4.06 3.01 4.51 0.00 -1.26 -5.03 105.19 111.95 2jqi n GLY 135 Ca -0.04 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 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 1.36 0.55 1.61 1.01 -1.26 -5.01 120.40 118.66 2jqi s VAL 136 Ca 0.00 -0.54 0.32 0.00 0.00 0.00 0.00 61.98 61.76 2jqi s VAL 136 Cb 0.00 -1.28 0.48 0.00 0.00 0.00 0.00 36.38 35.58 2jqi s VAL 136 CO 0.00 0.42 1.86 -0.08 0.00 0.00 0.00 175.10 177.30 2jqi h GLU 137 N 7.62 0.00 -0.33 2.72 4.81 -1.98 0.69 114.58 128.11 2jqi h GLU 137 Ca -0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2jqi h GLU 137 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2jqi h GLU 137 CO 0.48 0.00 0.00 0.43 -0.73 0.00 0.00 179.01 179.19 2jqi n SER 138 N -4.14 2.45 -0.36 1.04 7.64 -1.26 -4.15 113.62 114.84 2jqi n SER 138 Ca 0.18 -1.88 0.07 0.00 1.01 0.00 0.00 58.87 58.25 2jqi n SER 138 Cb 0.98 -0.22 0.13 0.00 -1.01 0.00 0.00 64.21 64.09 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 0.83 1.75 -4.67 6.43 8.00 0.24 -5.03 116.55 124.10 2jqi n ASP 139 Ca 0.17 -3.05 -0.35 0.00 0.71 0.00 0.00 54.79 52.27 2jqi n ASP 139 Cb 0.43 -0.41 -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 -2.34 4.30 -0.06 0.53 1.01 -1.05 -4.17 121.20 119.41 2jqi s ILE 140 Ca 0.29 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.74 2jqi s ILE 140 Cb 0.27 -2.81 -0.01 0.00 0.01 0.00 0.00 42.46 39.92 2jqi s ILE 140 CO -0.01 0.60 -0.22 -0.22 0.00 0.00 0.00 174.94 175.09 2jqi s LEU 141 N -0.81 2.01 -0.15 2.97 0.20 0.33 -4.94 118.68 118.28 2jqi s LEU 141 Ca 0.12 -0.45 -0.02 0.00 0.69 0.00 0.00 54.13 54.47 2jqi s LEU 141 Cb -0.11 -1.22 -0.02 0.00 -0.43 0.00 0.00 46.19 44.41 2jqi s LEU 141 CO 0.02 0.20 -0.08 -0.44 -0.29 0.00 0.00 176.35 175.76 2jqi s SER 142 N -0.03 4.33 -0.04 3.68 0.01 -1.26 0.07 113.70 120.46 2jqi s SER 142 Ca -0.05 -0.27 0.06 0.00 1.31 0.00 0.00 55.95 57.00 2jqi s SER 142 Cb -0.13 -1.69 -0.01 0.00 0.21 0.00 0.00 66.02 64.39 2jqi s SER 142 CO 0.04 0.13 -0.24 -0.76 0.41 0.00 0.00 173.24 172.82 2jqi s LEU 143 N 0.55 2.04 -0.09 2.44 1.43 0.72 -4.05 118.68 121.73 2jqi s LEU 143 Ca -0.06 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 2jqi s LEU 143 Cb -0.15 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.78 2jqi s LEU 143 CO 0.03 0.26 -0.08 -0.69 0.23 0.00 0.00 176.35 176.10 2jqi s VAL 144 N -0.32 3.59 -0.15 -1.59 1.01 0.28 0.16 120.40 123.38 2jqi s VAL 144 Ca 0.02 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 2jqi s VAL 144 Cb -0.11 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 2jqi s VAL 144 CO 0.01 0.57 0.02 -0.63 0.00 0.00 0.00 175.10 175.07 2jqi s ILE 145 N -0.49 4.39 -0.20 2.22 1.01 0.13 0.10 121.20 128.36 2jqi s ILE 145 Ca 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.52 2jqi s ILE 145 Cb -0.12 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.42 2jqi s ILE 145 CO 0.02 0.50 -0.11 0.12 0.00 0.00 0.00 174.94 175.48 2jqi s PHE 146 N 0.11 2.88 -0.03 3.97 2.19 0.32 -2.96 117.98 124.47 2jqi s PHE 146 Ca 0.02 -1.20 -0.25 0.00 0.33 0.00 0.00 56.93 55.84 2jqi s PHE 146 Cb -0.13 -2.03 -0.04 0.00 -1.31 0.00 0.00 43.02 39.52 2jqi s PHE 146 CO 0.02 -0.64 0.77 0.42 1.83 0.00 0.00 175.22 177.62 2jqi s ILE 147 N 1.37 4.94 -0.22 3.12 1.01 -1.26 0.13 121.20 130.29 2jqi s ILE 147 Ca 0.05 1.61 -0.29 0.00 0.00 0.00 0.00 60.65 62.02 2jqi s ILE 147 Cb -0.14 -4.11 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 2jqi s ILE 147 CO -0.07 0.26 1.25 0.21 0.00 0.00 0.00 174.94 176.59 2jqi s ASN 148 N 0.64 6.88 0.39 3.58 2.47 -1.19 -4.90 114.94 122.80 2jqi s ASN 148 Ca 0.41 1.50 0.12 0.00 0.42 0.00 0.00 52.86 55.30 2jqi s ASN 148 Cb -0.19 -2.54 0.80 0.00 -1.45 0.00 0.00 41.25 37.87 2jqi s ASN 148 CO 0.21 -0.85 1.89 0.44 -3.72 0.00 0.00 177.10 175.07 2jqi h ASP 149 N 8.46 0.09 -0.41 -4.21 3.32 -1.93 -2.84 116.42 118.89 2jqi h ASP 149 Ca -0.25 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 56.78 2jqi h ASP 149 Cb 1.10 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 2jqi h ASP 149 CO 0.99 0.34 0.27 0.50 -1.72 0.00 0.00 179.24 179.63 2jqi h LYS 150 N 0.08 0.54 -0.72 3.56 1.63 -1.93 -1.04 116.57 118.69 2jqi h LYS 150 Ca 0.01 -0.03 0.04 0.00 -0.85 0.00 0.00 60.65 59.82 2jqi h LYS 150 Cb 0.49 -0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 31.95 2jqi h LYS 150 CO 0.03 0.35 0.45 0.35 -3.45 0.00 0.00 179.45 177.19 2jqi h PHE 151 N 0.55 0.83 -0.56 1.91 3.57 -1.72 -2.02 116.94 119.51 2jqi h PHE 151 Ca 0.15 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 2jqi h PHE 151 Cb -0.06 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 2jqi h PHE 151 CO -0.05 0.46 0.06 -0.22 -2.23 0.00 0.00 178.31 176.33 2jqi h LYS 152 N 0.86 0.91 -0.47 1.11 1.63 -1.40 -2.72 116.57 116.49 2jqi h LYS 152 Ca 0.30 -0.23 0.02 0.00 -0.85 0.00 0.00 60.65 59.88 2jqi h LYS 152 Cb 0.05 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.54 2jqi h LYS 152 CO -0.12 0.87 0.28 1.96 -3.45 0.00 0.00 179.45 178.98 2jqi h GLN 153 N 0.86 0.55 -0.37 1.90 4.20 -0.49 0.36 115.11 122.11 2jqi h GLN 153 Ca 0.17 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 2jqi h GLN 153 Cb 0.42 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2jqi h GLN 153 CO 0.01 0.36 0.22 0.00 -0.67 0.00 0.00 178.83 178.76 2jqi h LEU 155 N 0.49 0.60 -0.82 0.00 -0.00 -1.17 0.29 115.31 114.70 2jqi h LEU 155 Ca 0.13 -0.23 0.01 0.00 -0.00 0.00 0.00 57.88 57.79 2jqi h LEU 155 Cb 0.01 -0.16 -0.04 0.00 -0.00 0.00 0.00 40.66 40.46 2jqi h LEU 155 CO -0.02 0.87 0.54 -0.08 -0.00 0.00 0.00 178.44 179.74 2jqi h GLU 156 N 0.50 1.08 0.03 1.13 4.81 0.07 -2.78 114.58 119.42 2jqi h GLU 156 Ca 0.06 -0.07 -0.26 0.00 -0.13 0.00 0.00 59.36 58.96 2jqi h GLU 156 Cb 0.77 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 2jqi h GLU 156 CO 0.06 0.72 -1.38 0.37 -0.73 0.00 0.00 179.01 178.05 2jqi h GLN 157 N 1.11 0.06 0.00 1.92 4.15 -1.24 -3.47 115.11 117.64 2jqi h GLN 157 Ca 0.30 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.62 2jqi h GLN 157 Cb -0.13 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.60 2jqi h GLN 157 CO -0.06 0.85 0.00 0.27 -1.93 0.00 0.00 178.83 177.95 2jqi n ASN 158 N -3.27 0.00 -4.73 -0.69 0.23 0.10 -4.44 115.26 102.47 2jqi n ASN 158 Ca -0.10 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.54 2jqi n ASN 158 Cb 1.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.67 2jqi n ASN 158 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2jqi s LYS 159 N 0.00 4.48 -0.17 -3.83 1.02 -1.26 -4.99 119.74 114.99 2jqi s LYS 159 Ca 0.00 1.85 -0.07 0.00 0.02 0.00 0.00 55.97 57.77 2jqi s LYS 159 Cb 0.00 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 34.00 2jqi s LYS 159 CO 0.00 -0.13 0.07 0.14 -0.92 0.00 0.00 175.35 174.52 2jqi s VAL 160 N 0.22 4.92 -0.10 3.17 -7.23 -1.26 -4.98 120.40 115.13 2jqi s VAL 160 Ca 0.54 0.01 0.19 0.00 -1.81 0.00 0.00 61.98 60.91 2jqi s VAL 160 Cb -0.32 -3.19 0.43 0.00 0.56 0.00 0.00 36.38 33.85 2jqi s VAL 160 CO 0.35 0.50 1.19 0.47 -0.31 0.00 0.00 175.10 177.29 2jqi n ASP 161 N 3.17 1.39 -3.62 4.85 9.92 -1.26 -5.01 116.55 125.99 2jqi n ASP 161 Ca -0.17 -2.85 -0.21 0.00 -0.53 0.00 0.00 54.79 51.02 2jqi n ASP 161 Cb 0.53 -0.40 -0.16 0.00 -0.64 0.00 0.00 41.12 40.44 2jqi n ASP 161 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2jqi s ARG 162 N -1.54 0.03 -0.38 -1.24 3.52 -1.26 -5.12 118.95 112.96 2jqi s ARG 162 Ca 0.36 0.23 -0.26 0.00 -0.13 0.00 0.00 55.73 55.93 2jqi s ARG 162 Cb 0.38 -1.04 0.02 0.00 -1.56 0.00 0.00 34.95 32.75 2jqi s ARG 162 CO -0.12 -0.50 0.93 0.42 -0.81 0.00 0.00 175.30 175.22 2jqi s ILE 163 N 2.21 4.57 -2.81 4.11 1.01 -1.26 -5.29 121.20 123.73 2jqi s ILE 163 Ca 0.04 1.12 0.26 0.00 0.00 0.00 0.00 60.65 62.06 2jqi s ILE 163 Cb -0.14 -4.35 0.33 0.00 0.01 0.00 0.00 42.46 38.31 2jqi s ILE 163 CO -0.07 -0.59 1.45 -1.14 0.00 0.00 0.00 174.94 174.59