#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 -0.97 -0.04 0.00 -1.04 -1.26 -4.90 114.28 106.08 2jqi n THR 15 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 2jqi n THR 15 Cb 0.00 -2.91 -0.09 0.00 -1.82 0.00 0.00 70.33 65.51 2jqi n THR 15 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 2jqi h GLN 16 N -0.01 0.25 -0.40 -2.82 4.20 -2.06 -2.91 115.11 111.36 2jqi h GLN 16 Ca -0.48 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 57.98 2jqi h GLN 16 Cb 1.36 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.14 2jqi h GLN 16 CO 0.57 0.79 -0.06 -0.09 -0.67 0.00 0.00 178.83 179.37 2jqi h ARG 17 N -0.24 0.68 -0.97 1.46 2.43 -2.00 -2.74 114.38 113.00 2jqi h ARG 17 Ca -0.00 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2jqi h ARG 17 Cb 0.80 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.22 2jqi h ARG 17 CO 0.04 0.73 0.61 0.74 -1.51 0.00 0.00 179.97 180.58 2jqi h PHE 18 N 0.63 1.26 -0.61 2.20 -1.00 -1.95 0.60 116.94 118.06 2jqi h PHE 18 Ca 0.12 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.90 2jqi h PHE 18 Cb 0.48 -0.42 -0.03 0.00 3.61 0.00 0.00 35.95 39.59 2jqi h PHE 18 CO 0.02 0.82 0.35 1.25 -1.61 0.00 0.00 178.31 179.14 2jqi h LEU 19 N 1.33 0.74 -0.56 1.54 7.12 -1.28 -2.61 115.31 121.59 2jqi h LEU 19 Ca 0.35 -0.07 -0.16 0.00 0.13 0.00 0.00 57.88 58.13 2jqi h LEU 19 Cb -0.09 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 39.84 2jqi h LEU 19 CO -0.07 0.59 -0.58 0.40 -0.13 0.00 0.00 178.44 178.65 2jqi h ILE 20 N 0.82 1.34 -0.59 4.05 1.08 -1.33 -3.03 117.51 119.86 2jqi h ILE 20 Ca 0.22 -1.87 0.07 0.00 -0.39 0.00 0.00 64.86 62.89 2jqi h ILE 20 Cb 0.00 1.87 -0.04 0.00 -3.07 0.00 0.00 36.82 35.59 2jqi h ILE 20 CO -0.04 0.57 0.39 -0.33 -0.69 0.00 0.00 178.15 178.05 2jqi h GLU 21 N 0.33 0.48 0.00 2.37 5.08 -0.53 0.19 114.58 122.50 2jqi h GLU 21 Ca -0.00 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2jqi h GLU 21 Cb 1.11 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 2jqi h GLU 21 CO 0.10 0.32 -0.14 -0.22 -1.00 0.00 0.00 179.01 178.07 2jqi h LYS 22 N 0.50 0.00 -0.37 2.33 3.11 -1.36 -2.91 116.57 117.86 2jqi h LYS 22 Ca 0.26 0.00 0.05 0.00 -2.81 0.00 0.00 60.65 58.15 2jqi h LYS 22 Cb 0.38 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.57 2jqi h LYS 22 CO -0.07 0.14 0.12 0.35 -2.81 0.00 0.00 179.45 177.18 2jqi h PHE 23 N 0.00 0.22 -0.02 1.91 3.57 -0.70 -2.59 116.94 119.34 2jqi h PHE 23 Ca -0.00 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.30 2jqi h PHE 23 Cb 0.47 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.17 2jqi h PHE 23 CO 0.00 0.08 -0.91 1.03 -2.23 0.00 0.00 178.31 176.29 2jqi h SER 24 N 0.27 0.55 -5.40 0.41 0.87 -1.61 -3.48 113.55 105.17 2jqi h SER 24 Ca 0.17 -0.43 -0.30 0.00 -1.23 0.00 0.00 61.79 60.00 2jqi h SER 24 Cb 0.16 -0.17 0.16 0.00 -0.44 0.00 0.00 62.40 62.11 2jqi h SER 24 CO -0.18 1.22 -0.73 0.00 -0.53 0.00 0.00 176.83 176.61 2jqi n GLN 25 N -3.77 -5.82 -2.42 2.24 1.13 -0.98 -4.94 117.38 102.82 2jqi n GLN 25 Ca -0.06 0.80 -0.42 0.00 -1.94 0.00 0.00 57.00 55.37 2jqi n GLN 25 Cb 0.81 -5.64 -0.03 0.00 0.11 0.00 0.00 30.24 25.50 2jqi n GLN 25 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2jqi s GLU 26 N -5.18 4.32 -0.63 -1.09 2.02 -1.26 -4.97 118.70 111.91 2jqi s GLU 26 Ca 0.04 1.70 -0.28 0.00 0.02 0.00 0.00 54.97 56.46 2jqi s GLU 26 Cb -0.01 -3.60 0.02 0.00 0.10 0.00 0.00 34.13 30.64 2jqi s GLU 26 CO 0.68 -0.51 1.35 -0.65 0.02 0.00 0.00 175.26 176.15 2jqi s GLN 27 N 2.49 3.27 0.17 1.61 -0.21 -1.26 -4.99 119.66 120.74 2jqi s GLN 27 Ca 0.57 0.20 -0.28 0.00 0.02 0.00 0.00 55.36 55.86 2jqi s GLN 27 Cb -0.25 -4.13 -0.08 0.00 1.00 0.00 0.00 33.01 29.55 2jqi s GLN 27 CO 0.21 -2.00 0.86 0.42 -2.12 0.00 0.00 175.29 172.66 2jqi s ILE 28 N 5.91 4.33 0.00 1.08 -1.09 -1.26 -4.82 121.20 125.34 2jqi s ILE 28 Ca 0.46 1.89 0.00 0.00 -2.23 0.00 0.00 60.65 60.77 2jqi s ILE 28 Cb -0.09 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.55 2jqi s ILE 28 CO 0.22 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 175.00 2jqi n GLY 29 N 1.77 1.33 0.23 6.18 0.00 -1.26 -4.92 105.19 108.52 2jqi n GLY 29 Ca -0.03 -0.83 -0.01 0.00 0.00 0.00 0.00 46.02 45.16 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 0.33 0.00 1.61 4.81 -2.01 -3.40 114.58 115.92 2jqi h GLU 30 Ca 0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2jqi h GLU 30 Cb 0.00 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2jqi h GLU 30 CO 0.00 0.54 0.00 0.09 -0.73 0.00 0.00 179.01 178.91 2jqi n ASN 31 N -4.17 0.00 -4.74 1.04 5.03 -1.26 -5.08 115.26 106.08 2jqi n ASN 31 Ca -0.01 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.03 2jqi n ASN 31 Cb 0.36 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.08 2jqi n ASN 31 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2jqi s ILE 32 N 0.00 3.62 -0.14 2.41 -1.09 -1.26 -0.90 121.20 123.85 2jqi s ILE 32 Ca 0.00 1.39 -0.11 0.00 -2.23 0.00 0.00 60.65 59.70 2jqi s ILE 32 Cb 0.00 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 2jqi s ILE 32 CO 0.00 0.23 -0.21 0.52 -1.23 0.00 0.00 174.94 174.25 2jqi n VAL 33 N 2.39 1.32 -3.84 2.92 0.31 0.12 -4.48 118.33 117.07 2jqi n VAL 33 Ca 0.04 0.22 -0.12 0.00 -0.01 0.00 0.00 64.34 64.47 2jqi n VAL 33 Cb 0.45 -2.30 -0.09 0.00 -0.91 0.00 0.00 33.84 30.98 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 -1.49 2.51 -0.24 0.00 0.52 0.28 -1.19 118.95 119.33 2jqi s ARG 35 Ca -0.14 -0.78 -0.09 0.00 -0.52 0.00 0.00 55.73 54.21 2jqi s ARG 35 Cb -0.06 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.07 2jqi s ARG 35 CO 0.02 0.53 0.11 0.14 0.02 0.00 0.00 175.30 176.12 2jqi s VAL 36 N -0.50 4.83 -0.12 3.52 -7.23 -1.11 0.11 120.40 119.90 2jqi s VAL 36 Ca 0.06 -0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.24 2jqi s VAL 36 Cb -0.11 -3.25 0.02 0.00 0.56 0.00 0.00 36.38 33.59 2jqi s VAL 36 CO 0.01 0.34 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.40 2jqi s ILE 37 N 1.33 1.26 -0.37 -0.62 1.01 0.23 -2.22 121.20 121.82 2jqi s ILE 37 Ca 0.06 -0.45 -0.29 0.00 0.00 0.00 0.00 60.65 59.96 2jqi s ILE 37 Cb -0.15 -1.21 0.02 0.00 0.01 0.00 0.00 42.46 41.14 2jqi s ILE 37 CO 0.05 0.40 1.10 0.00 0.00 0.00 0.00 174.94 176.50 2jqi h THR 39 N 5.89 1.02 0.00 0.00 1.03 -1.88 -3.17 112.91 115.81 2jqi h THR 39 Ca -0.21 -2.42 0.00 0.00 -0.01 0.00 0.00 66.41 63.77 2jqi h THR 39 Cb 1.06 2.49 0.00 0.00 -1.07 0.00 0.00 68.15 70.63 2jqi h THR 39 CO 1.06 0.58 0.00 0.35 -0.01 0.00 0.00 175.52 177.50 2jqi n THR 40 N -3.26 0.00 -2.76 0.00 -2.24 -1.25 -4.95 114.28 99.82 2jqi n THR 40 Ca 0.02 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.75 2jqi n THR 40 Cb 0.76 -0.51 0.01 0.00 -2.10 0.00 0.00 70.33 68.50 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 1.09 -1.22 0.86 3.38 0.00 -1.20 -4.99 105.19 103.11 2jqi n GLY 41 Ca 0.20 0.91 0.00 0.00 0.00 0.00 0.00 46.02 47.13 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 -4.76 1.61 6.02 -1.26 -5.11 117.38 113.16 2jqi n GLN 42 Ca 0.08 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.74 2jqi n GLN 42 Cb 0.44 -0.20 -0.12 0.00 1.02 0.00 0.00 30.24 31.38 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 -1.43 3.15 0.31 5.09 1.01 -1.26 -4.73 121.20 123.35 2jqi s ILE 43 Ca 0.00 -0.80 -0.28 0.00 0.00 0.00 0.00 60.65 59.56 2jqi s ILE 43 Cb 0.00 -2.28 -0.10 0.00 0.01 0.00 0.00 42.46 40.10 2jqi s ILE 43 CO 0.00 0.51 1.16 -2.16 0.00 0.00 0.00 174.94 174.45 2jqi s PRO 44 N -0.98 4.47 0.35 2.79 0.04 -1.26 -4.26 135.00 136.15 2jqi s PRO 44 Ca 0.13 1.89 -0.28 0.00 0.04 0.00 0.00 61.00 62.79 2jqi s PRO 44 Cb -0.11 -3.06 -0.12 0.00 0.04 0.00 0.00 34.50 31.26 2jqi s PRO 44 CO 0.03 0.03 1.32 -0.89 0.04 0.00 0.00 177.00 177.52 2jqi n ILE 45 N 0.88 2.04 -4.45 0.56 5.41 -1.26 -4.88 119.36 117.66 2jqi n ILE 45 Ca 0.00 -0.50 -0.22 0.00 1.00 0.00 0.00 62.75 63.03 2jqi n ILE 45 Cb 0.45 -1.63 -0.10 0.00 -0.71 0.00 0.00 39.64 37.64 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 -1.94 1.59 -0.18 0.38 6.06 -0.94 -5.03 118.95 118.89 2jqi s ARG 46 Ca 0.55 -1.80 0.01 0.00 -2.50 0.00 0.00 55.73 52.00 2jqi s ARG 46 Cb -0.55 -1.29 0.02 0.00 0.06 0.00 0.00 34.95 33.19 2jqi s ARG 46 CO 0.62 0.09 -0.19 0.16 -2.50 0.00 0.00 175.30 173.47 2jqi s ASP 47 N -3.47 3.13 -0.13 -2.12 1.47 -1.26 -2.74 116.67 111.55 2jqi s ASP 47 Ca 0.29 -0.66 -0.11 0.00 1.18 0.00 0.00 52.55 53.25 2jqi s ASP 47 Cb 0.03 -1.46 -0.05 0.00 -0.34 0.00 0.00 42.92 41.10 2jqi s ASP 47 CO 0.12 -0.01 0.24 -0.76 0.68 0.00 0.00 175.17 175.45 2jqi s LEU 48 N 1.30 4.32 0.07 2.11 1.43 -0.33 -5.03 118.68 122.55 2jqi s LEU 48 Ca 0.05 0.53 -0.09 0.00 -1.03 0.00 0.00 54.13 53.59 2jqi s LEU 48 Cb -0.13 -2.27 -0.00 0.00 0.03 0.00 0.00 46.19 43.81 2jqi s LEU 48 CO -0.13 0.24 0.18 -0.94 0.23 0.00 0.00 176.35 175.94 2jqi s SER 49 N -0.25 0.10 -0.02 2.29 1.04 -1.26 0.16 113.70 115.76 2jqi s SER 49 Ca 0.16 -0.56 -0.03 0.00 0.48 0.00 0.00 55.95 56.00 2jqi s SER 49 Cb -0.13 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.31 2jqi s SER 49 CO 0.05 -0.66 0.07 0.00 0.98 0.00 0.00 173.24 173.68 2jqi s ALA 50 N -3.37 -0.17 0.15 5.32 0.00 -0.08 -4.78 121.76 118.83 2jqi s ALA 50 Ca 0.01 0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.78 2jqi s ALA 50 Cb 0.03 -0.08 -0.07 0.00 0.00 0.00 0.00 23.12 23.00 2jqi s ALA 50 CO -0.08 -0.07 0.94 -0.51 0.00 0.00 0.00 175.76 176.04 2jqi s ASP 51 N -0.24 7.52 0.11 0.00 1.01 -1.26 -4.68 116.67 119.13 2jqi s ASP 51 Ca -0.03 1.82 -0.17 0.00 0.71 0.00 0.00 52.55 54.88 2jqi s ASP 51 Cb -0.02 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 2jqi s ASP 51 CO 0.00 0.01 1.62 0.40 0.21 0.00 0.00 175.17 177.42 2jqi h ILE 52 N 3.76 1.21 -0.97 0.77 2.04 -1.98 -2.20 117.51 120.14 2jqi h ILE 52 Ca -0.44 -0.71 0.08 0.00 1.00 0.00 0.00 64.86 64.79 2jqi h ILE 52 Cb 1.21 1.04 -0.07 0.00 -0.74 0.00 0.00 36.82 38.26 2jqi h ILE 52 CO 0.70 0.24 0.63 -1.28 0.00 0.00 0.00 178.15 178.44 2jqi h SER 53 N 0.39 0.97 -0.34 1.72 0.87 -1.98 0.51 113.55 115.68 2jqi h SER 53 Ca 0.11 0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.55 2jqi h SER 53 Cb 0.27 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2jqi h SER 53 CO -0.00 0.60 -0.28 1.56 -0.53 0.00 0.00 176.83 178.18 2jqi h GLN 54 N 1.09 0.85 -0.14 2.24 1.08 -1.93 -2.32 115.11 115.97 2jqi h GLN 54 Ca 0.43 -0.38 -0.20 0.00 -1.45 0.00 0.00 58.65 57.05 2jqi h GLN 54 Cb 0.24 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2jqi h GLN 54 CO -0.18 1.02 -0.73 0.28 -0.95 0.00 0.00 178.83 178.28 2jqi h VAL 55 N 0.72 1.32 -0.04 -0.54 2.07 -0.59 -0.35 116.25 118.84 2jqi h VAL 55 Ca 0.09 -2.00 -0.06 0.00 0.82 0.00 0.00 66.70 65.54 2jqi h VAL 55 Cb 0.83 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 2jqi h VAL 55 CO 0.07 0.62 -0.27 0.25 0.02 0.00 0.00 177.57 178.26 2jqi h LEU 56 N 0.45 0.07 0.00 2.57 5.85 0.03 -2.92 115.31 121.36 2jqi h LEU 56 Ca -0.04 -0.02 -0.28 0.00 0.84 0.00 0.00 57.88 58.39 2jqi h LEU 56 Cb 1.33 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.29 2jqi h LEU 56 CO 0.14 0.35 -1.63 0.07 -0.34 0.00 0.00 178.44 177.03 2jqi h LYS 57 N 0.07 0.00 -6.21 1.25 2.10 -1.37 -3.45 116.57 108.96 2jqi h LYS 57 Ca 0.01 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.10 2jqi h LYS 57 Cb 0.52 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.82 2jqi h LYS 57 CO 0.04 0.52 0.98 -1.21 -2.00 0.00 0.00 179.45 177.79 2jqi s GLU 58 N -2.62 4.14 -0.05 0.07 2.02 -0.15 -4.87 118.70 117.25 2jqi s GLU 58 Ca -0.04 1.77 0.18 0.00 0.02 0.00 0.00 54.97 56.90 2jqi s GLU 58 Cb 0.08 -3.86 -0.28 0.00 0.10 0.00 0.00 34.13 30.17 2jqi s GLU 58 CO 0.82 -0.84 0.36 1.17 0.02 0.00 0.00 175.26 176.78 2jqi n LYS 59 N 6.93 0.65 -0.46 1.61 0.00 -1.26 -4.88 118.16 120.74 2jqi n LYS 59 Ca 0.15 -0.15 -0.25 0.00 0.00 0.00 0.00 58.31 58.07 2jqi n LYS 59 Cb 0.44 -1.44 0.21 0.00 0.00 0.00 0.00 35.03 34.24 2jqi n LYS 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2jqi n ARG 60 N -2.22 -2.94 0.09 1.64 0.63 -1.26 -4.91 116.66 107.69 2jqi n ARG 60 Ca -0.07 -0.86 -0.05 0.00 -0.92 0.00 0.00 57.85 55.94 2jqi n ARG 60 Cb 0.57 -1.71 -0.03 0.00 0.45 0.00 0.00 32.46 31.74 2jqi n ARG 60 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 2jqi h SER 61 N -2.86 0.02 -3.29 6.15 0.02 -1.99 -3.43 113.55 108.16 2jqi h SER 61 Ca -0.38 -0.02 -0.64 0.00 -0.84 0.00 0.00 61.79 59.91 2jqi h SER 61 Cb 1.10 -0.01 -0.13 0.00 0.14 0.00 0.00 62.40 63.50 2jqi h SER 61 CO 0.26 0.89 -0.68 -0.51 -1.14 0.00 0.00 176.83 175.64 2jqi s ILE 62 N -3.01 3.75 0.03 3.27 1.10 -1.26 -3.03 121.20 122.05 2jqi s ILE 62 Ca 0.00 -1.18 0.00 0.00 -0.51 0.00 0.00 60.65 58.96 2jqi s ILE 62 Cb 0.11 -2.80 0.00 0.00 0.15 0.00 0.00 42.46 39.91 2jqi s ILE 62 CO 0.80 0.06 0.00 0.29 -2.11 0.00 0.00 174.94 173.98 2jqi n LYS 63 N 0.43 0.00 -3.76 3.50 5.02 -0.94 -4.93 118.16 117.48 2jqi n LYS 63 Ca -0.11 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.04 2jqi n LYS 63 Cb 0.53 -0.05 -0.15 0.00 -0.02 0.00 0.00 35.03 35.34 2jqi n LYS 63 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2jqi s LYS 64 N -1.15 0.04 -0.02 1.97 2.20 -1.16 -5.01 119.74 116.60 2jqi s LYS 64 Ca 0.00 0.29 0.06 0.00 -0.36 0.00 0.00 55.97 55.96 2jqi s LYS 64 Cb 0.00 -0.21 -0.01 0.00 -1.51 0.00 0.00 37.83 36.10 2jqi s LYS 64 CO 0.00 -0.17 -0.19 0.08 -0.36 0.00 0.00 175.35 174.72 2jqi s VAL 65 N 1.12 1.48 -0.12 4.02 1.01 -1.26 -0.79 120.40 125.86 2jqi s VAL 65 Ca -0.09 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 2jqi s VAL 65 Cb -0.12 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2jqi s VAL 65 CO -0.05 0.42 0.12 0.26 0.00 0.00 0.00 175.10 175.85 2jqi s TRP 66 N -0.36 3.53 -0.15 5.22 0.51 0.53 -4.88 118.94 123.35 2jqi s TRP 66 Ca 0.05 0.47 -0.02 0.00 -2.12 0.00 0.00 56.10 54.48 2jqi s TRP 66 Cb -0.08 -1.93 -0.02 0.00 -0.81 0.00 0.00 33.47 30.63 2jqi s TRP 66 CO -0.00 0.68 -0.07 0.99 -0.51 0.00 0.00 176.95 178.03 2jqi s THR 67 N -0.93 3.50 0.06 2.01 2.01 -1.26 0.13 115.64 121.16 2jqi s THR 67 Ca 0.14 -0.49 0.09 0.00 0.31 0.00 0.00 61.69 61.74 2jqi s THR 67 Cb -0.12 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 2jqi s THR 67 CO 0.03 0.50 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.85 2jqi s PHE 68 N 0.49 2.35 -4.73 4.92 0.40 0.48 0.19 117.98 122.09 2jqi s PHE 68 Ca -0.06 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.89 2jqi s PHE 68 Cb -0.15 -1.38 0.00 0.00 0.51 0.00 0.00 43.02 42.00 2jqi s PHE 68 CO 0.03 0.18 0.00 0.41 0.70 0.00 0.00 175.22 176.54 2jqi n GLY 69 N 1.60 -1.25 0.01 4.36 0.00 -0.67 0.16 105.19 109.40 2jqi n GLY 69 Ca -0.17 -1.19 0.12 0.00 0.00 0.00 0.00 46.02 44.79 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 1.02 -2.98 1.61 1.74 0.23 -1.66 116.66 116.63 2jqi n ARG 70 Ca 0.00 -0.03 -0.40 0.00 -0.77 0.00 0.00 57.85 56.65 2jqi n ARG 70 Cb 0.00 -1.39 -0.05 0.00 -1.02 0.00 0.00 32.46 30.00 2jqi n ARG 70 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2jqi s ASN 71 N -1.78 7.17 0.24 0.55 3.04 0.94 -4.81 114.94 120.29 2jqi s ASN 71 Ca 0.37 1.40 0.21 0.00 0.04 0.00 0.00 52.86 54.88 2jqi s ASN 71 Cb 0.17 -2.46 0.95 0.00 -1.54 0.00 0.00 41.25 38.37 2jqi s ASN 71 CO 0.29 -0.04 1.64 -2.65 -3.04 0.00 0.00 177.10 173.30 2jqi n PRO 72 N 3.14 0.15 0.05 0.43 -0.02 -1.26 -1.96 135.00 135.53 2jqi n PRO 72 Ca -0.01 0.47 -0.22 0.00 -2.02 0.00 0.00 63.50 61.72 2jqi n PRO 72 Cb 0.51 -1.85 -0.15 0.00 -0.02 0.00 0.00 33.50 31.99 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 2.20 0.01 -1.21 3.55 0.00 -1.93 -3.47 119.26 118.41 2jqi h ALA 73 Ca 0.00 -0.91 -0.66 0.00 0.00 0.00 0.00 54.91 53.34 2jqi h ALA 73 Cb 0.23 0.28 0.11 0.00 0.00 0.00 0.00 17.79 18.41 2jqi h ALA 73 CO 0.00 0.65 -0.36 0.00 0.00 0.00 0.00 179.25 179.54 2jqi h ASP 75 N 1.30 0.00 -3.35 0.00 3.32 0.17 -3.38 116.42 114.48 2jqi h ASP 75 Ca -0.31 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.24 2jqi h ASP 75 Cb 1.42 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.62 2jqi h ASP 75 CO 0.58 0.00 -0.80 -0.47 -1.72 0.00 0.00 179.24 176.83 2jqi s TYR 76 N -3.99 1.35 -0.36 4.55 5.04 -0.34 -4.94 117.35 118.66 2jqi s TYR 76 Ca -0.04 -0.54 -0.11 0.00 -2.44 0.00 0.00 57.07 53.94 2jqi s TYR 76 Cb 0.10 -1.06 0.02 0.00 0.35 0.00 0.00 41.96 41.37 2jqi s TYR 76 CO 0.30 -0.33 0.20 -1.58 -1.34 0.00 0.00 175.55 172.80 2jqi s HIS 77 N 1.01 3.23 0.45 4.97 2.46 -1.26 -1.68 115.29 124.48 2jqi s HIS 77 Ca -0.08 -0.90 0.06 0.00 0.47 0.00 0.00 55.06 54.61 2jqi s HIS 77 Cb -0.15 -2.42 -0.03 0.00 -0.13 0.00 0.00 32.58 29.85 2jqi s HIS 77 CO -0.00 -0.61 0.18 -0.48 -2.47 0.00 0.00 174.74 171.35 2jqi s LEU 78 N 1.56 2.92 0.23 8.88 0.05 -0.66 -4.74 118.68 126.92 2jqi s LEU 78 Ca 0.02 -1.21 -0.32 0.00 0.05 0.00 0.00 54.13 52.68 2jqi s LEU 78 Cb -0.19 -1.26 -0.13 0.00 -2.05 0.00 0.00 46.19 42.56 2jqi s LEU 78 CO 0.07 -0.67 1.44 0.61 -0.55 0.00 0.00 176.35 177.25 2jqi n GLY 79 N -1.31 0.86 3.57 -3.48 0.00 -1.26 -4.42 105.19 99.15 2jqi n GLY 79 Ca -0.04 0.52 -0.24 0.00 0.00 0.00 0.00 46.02 46.26 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 0.39 4.69 -0.19 1.61 2.20 -1.26 -4.72 114.94 117.66 2jqi s ASN 80 Ca 0.70 -1.08 -0.09 0.00 -0.94 0.00 0.00 52.86 51.45 2jqi s ASN 80 Cb -0.65 -2.58 -0.05 0.00 -2.00 0.00 0.00 41.25 35.98 2jqi s ASN 80 CO 0.48 -3.33 0.12 -0.63 -2.94 0.00 0.00 177.10 170.80 2jqi s ILE 81 N 12.10 5.35 0.35 0.54 1.01 -1.26 -4.99 121.20 134.29 2jqi s ILE 81 Ca 0.73 0.16 0.06 0.00 0.00 0.00 0.00 60.65 61.61 2jqi s ILE 81 Cb -0.04 -3.42 0.30 0.00 0.01 0.00 0.00 42.46 39.30 2jqi s ILE 81 CO 0.09 0.47 1.92 0.28 0.00 0.00 0.00 174.94 177.70 2jqi h SER 82 N 6.43 0.72 0.44 3.58 0.02 -2.00 0.07 113.55 122.81 2jqi h SER 82 Ca -0.43 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.48 2jqi h SER 82 Cb 1.16 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 2jqi h SER 82 CO 0.73 0.44 -0.28 0.03 -1.14 0.00 0.00 176.83 176.60 2jqi h ARG 83 N 0.80 0.00 -6.15 3.45 -0.00 -1.94 -3.43 114.38 107.11 2jqi h ARG 83 Ca 0.37 0.00 -0.56 0.00 -0.50 0.00 0.00 59.98 59.28 2jqi h ARG 83 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.32 2jqi h ARG 83 CO -0.14 0.28 -0.36 -0.51 0.00 0.00 0.00 179.97 179.25 2jqi s LEU 84 N -7.78 4.26 0.35 3.04 1.43 0.01 -4.40 118.68 115.60 2jqi s LEU 84 Ca -0.02 0.44 0.06 0.00 -1.03 0.00 0.00 54.13 53.57 2jqi s LEU 84 Cb 0.14 -3.18 -0.01 0.00 0.03 0.00 0.00 46.19 43.17 2jqi s LEU 84 CO 0.68 0.03 0.50 -0.94 0.23 0.00 0.00 176.35 176.84 2jqi s SER 85 N -2.80 5.94 0.22 2.29 1.04 -1.26 -4.65 113.70 114.47 2jqi s SER 85 Ca 0.39 -0.13 -0.18 0.00 0.48 0.00 0.00 55.95 56.51 2jqi s SER 85 Cb -0.12 -1.26 0.21 0.00 0.10 0.00 0.00 66.02 64.96 2jqi s SER 85 CO 0.27 -0.48 1.57 0.78 0.98 0.00 0.00 173.24 176.36 2jqi h ASN 86 N 0.81 -1.23 -3.30 7.02 2.35 -1.92 -2.54 115.58 116.78 2jqi h ASN 86 Ca -0.46 0.27 -0.64 0.00 -0.55 0.00 0.00 56.30 54.92 2jqi h ASN 86 Cb 1.26 0.65 -0.41 0.00 0.05 0.00 0.00 38.32 39.87 2jqi h ASN 86 CO 0.53 -0.29 -0.50 -1.59 -1.65 0.00 0.00 177.43 173.93 2jqi s LYS 87 N -6.01 2.55 0.16 0.81 -2.85 -1.26 0.78 119.74 113.92 2jqi s LYS 87 Ca -0.14 -3.25 -0.15 0.00 -1.00 0.00 0.00 55.97 51.43 2jqi s LYS 87 Cb 0.19 -3.51 0.05 0.00 -2.06 0.00 0.00 37.83 32.51 2jqi s LYS 87 CO 0.71 -1.26 1.81 1.25 0.10 0.00 0.00 175.35 177.96 2jqi h HIS 88 N 5.64 0.53 -3.97 1.78 2.76 0.20 -3.35 115.15 118.74 2jqi h HIS 88 Ca 0.12 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.20 2jqi h HIS 88 Cb 0.78 -0.17 -0.14 0.00 1.55 0.00 0.00 27.41 29.42 2jqi h HIS 88 CO 0.68 0.32 -0.48 -0.59 -1.30 0.00 0.00 177.93 176.56 2jqi s PHE 89 N -6.15 0.31 0.01 5.26 -0.71 -0.27 0.20 117.98 116.62 2jqi s PHE 89 Ca -0.13 -0.77 0.02 0.00 -1.04 0.00 0.00 56.93 55.01 2jqi s PHE 89 Cb 0.12 -0.18 -0.01 0.00 -1.21 0.00 0.00 43.02 41.74 2jqi s PHE 89 CO 0.73 -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 -0.12 1.99 0.74 0.41 0.18 119.66 119.43 2jqi s GLN 90 Ca 0.07 -0.36 0.03 0.00 0.05 0.00 0.00 55.36 55.14 2jqi s GLN 90 Cb 0.06 -0.38 0.00 0.00 1.10 0.00 0.00 33.01 33.79 2jqi s GLN 90 CO -0.10 0.10 -0.22 0.42 -0.55 0.00 0.00 175.29 174.94 2jqi s ILE 91 N -0.51 2.18 0.06 -2.34 1.01 0.35 0.17 121.20 122.13 2jqi s ILE 91 Ca -0.02 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.72 2jqi s ILE 91 Cb -0.04 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 2jqi s ILE 91 CO -0.00 0.55 -0.04 -1.48 0.00 0.00 0.00 174.94 173.97 2jqi s LEU 92 N 0.57 3.28 -0.13 2.97 2.34 -0.25 0.20 118.68 127.67 2jqi s LEU 92 Ca -0.12 -0.21 0.01 0.00 0.06 0.00 0.00 54.13 53.87 2jqi s LEU 92 Cb -0.17 -1.99 0.02 0.00 -0.56 0.00 0.00 46.19 43.49 2jqi s LEU 92 CO 0.04 0.21 -0.15 -0.22 -1.06 0.00 0.00 176.35 175.17 2jqi s LEU 93 N -1.99 1.69 0.00 1.48 2.96 0.03 -0.78 118.68 122.07 2jqi s LEU 93 Ca 0.22 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 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 0.14 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.76 2jqi n GLY 94 N 4.46 -0.94 2.52 7.98 0.00 -1.17 -2.22 105.19 115.82 2jqi n GLY 94 Ca -0.18 -0.81 -0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.02 0.00 1.61 2.13 -1.17 -3.10 120.64 117.09 2jqi n GLU 95 Ca 0.00 2.48 0.00 0.00 0.66 0.00 0.00 57.16 60.30 2jqi n GLU 95 Cb 0.00 -4.71 0.00 0.00 0.27 0.00 0.00 31.44 27.00 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 0.64 0.00 -1.07 4.31 2.03 -1.26 -2.23 116.55 118.96 2jqi n ASP 96 Ca -0.02 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.27 2jqi n ASP 96 Cb 0.03 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.42 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 0.00 0.04 3.95 0.27 0.00 -1.26 -5.10 105.19 103.09 2jqi n GLY 97 Ca 0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.45 4.78 0.13 1.61 -0.87 -0.95 -4.97 114.94 114.23 2jqi s ASN 98 Ca 0.01 -1.12 0.11 0.00 -1.57 0.00 0.00 52.86 50.28 2jqi s ASN 98 Cb 0.05 0.41 -0.04 0.00 -0.02 0.00 0.00 41.25 41.66 2jqi s ASN 98 CO -0.02 -1.21 -0.26 -0.22 -2.57 0.00 0.00 177.10 172.83 2jqi s LEU 99 N -4.43 2.33 0.04 0.60 0.20 -1.26 -3.02 118.68 113.14 2jqi s LEU 99 Ca 0.44 -0.76 0.04 0.00 0.69 0.00 0.00 54.13 54.54 2jqi s LEU 99 Cb -0.03 -1.15 -0.02 0.00 -0.43 0.00 0.00 46.19 44.55 2jqi s LEU 99 CO 0.27 0.15 -0.11 -0.76 -0.29 0.00 0.00 176.35 175.62 2jqi s LEU 100 N -2.12 2.20 -0.17 -0.68 1.02 0.04 -1.80 118.68 117.17 2jqi s LEU 100 Ca 0.14 -0.47 -0.02 0.00 0.02 0.00 0.00 54.13 53.79 2jqi s LEU 100 Cb -0.10 -0.39 -0.01 0.00 0.02 0.00 0.00 46.19 45.71 2jqi s LEU 100 CO 0.06 -0.07 -0.08 -0.22 0.02 0.00 0.00 176.35 176.06 2jqi s LEU 101 N -1.28 2.85 -0.23 1.79 1.98 -0.23 -1.09 118.68 122.46 2jqi s LEU 101 Ca -0.03 -0.34 -0.01 0.00 -2.89 0.00 0.00 54.13 50.86 2jqi s LEU 101 Cb -0.08 -1.69 0.03 0.00 0.66 0.00 0.00 46.19 45.11 2jqi s LEU 101 CO 0.01 0.08 -0.09 0.21 -1.89 0.00 0.00 176.35 174.67 2jqi s ASN 102 N 0.87 4.10 0.14 3.68 2.47 0.45 -2.15 114.94 124.50 2jqi s ASN 102 Ca -0.02 -0.86 -0.30 0.00 0.42 0.00 0.00 52.86 52.10 2jqi s ASN 102 Cb -0.15 -1.62 -0.07 0.00 -1.45 0.00 0.00 41.25 37.97 2jqi s ASN 102 CO 0.01 -0.10 1.03 1.51 -3.72 0.00 0.00 177.10 175.82 2jqi s ASP 103 N 1.30 7.39 -0.13 -4.21 1.47 -1.26 0.15 116.67 121.39 2jqi s ASP 103 Ca 0.00 1.93 0.21 0.00 1.18 0.00 0.00 52.55 55.87 2jqi s ASP 103 Cb -0.16 -2.59 0.41 0.00 -0.34 0.00 0.00 42.92 40.24 2jqi s ASP 103 CO -0.06 -0.14 1.16 2.30 0.68 0.00 0.00 175.17 179.11 2jqi n ILE 104 N 2.64 0.47 -3.53 2.11 -5.35 -0.75 0.17 119.36 115.11 2jqi n ILE 104 Ca 0.03 -1.60 -0.30 0.00 -0.27 0.00 0.00 62.75 60.60 2jqi n ILE 104 Cb 0.48 1.06 -0.04 0.00 -1.74 0.00 0.00 39.64 39.40 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 -2.49 6.50 0.31 7.28 0.01 0.53 -4.22 113.70 121.62 2jqi s SER 105 Ca 0.26 0.67 0.08 0.00 1.31 0.00 0.00 55.95 58.27 2jqi s SER 105 Cb 0.33 -2.12 0.52 0.00 0.21 0.00 0.00 66.02 64.95 2jqi s SER 105 CO -0.10 -0.05 1.73 0.74 0.41 0.00 0.00 173.24 175.97 2jqi h THR 106 N 1.79 1.30 0.00 1.44 2.02 -1.87 -3.17 112.91 114.42 2jqi h THR 106 Ca -0.47 -1.46 0.00 0.00 0.77 0.00 0.00 66.41 65.25 2jqi h THR 106 Cb 1.18 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 2jqi h THR 106 CO 0.70 0.43 -1.85 0.59 0.37 0.00 0.00 175.52 175.76 2jqi n ASN 107 N -4.04 0.13 0.00 4.18 3.02 -1.26 -5.09 115.26 112.20 2jqi n ASN 107 Ca -0.01 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 2jqi n ASN 107 Cb 0.46 1.77 0.00 0.00 -0.61 0.00 0.00 39.78 41.40 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 3.43 3.36 7.41 0.00 -1.20 -4.86 105.19 114.59 2jqi n GLY 108 Ca -0.03 -1.81 -0.32 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.41 2.48 0.10 2.61 2.01 -1.26 -4.37 115.64 114.80 2jqi s THR 109 Ca 0.00 -0.93 0.10 0.00 0.31 0.00 0.00 61.69 61.17 2jqi s THR 109 Cb 0.00 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 2jqi s THR 109 CO 0.00 0.58 -0.23 0.26 -0.69 0.00 0.00 174.62 174.53 2jqi s TRP 110 N -0.45 2.40 -0.21 4.92 0.51 0.30 -3.08 118.94 123.33 2jqi s TRP 110 Ca 0.05 -0.34 0.01 0.00 -2.12 0.00 0.00 56.10 53.70 2jqi s TRP 110 Cb -0.12 -1.33 0.05 0.00 -0.81 0.00 0.00 33.47 31.26 2jqi s TRP 110 CO 0.01 0.30 -0.09 -0.51 -0.51 0.00 0.00 176.95 176.15 2jqi s LEU 111 N -1.86 2.38 -1.30 2.99 1.43 0.22 0.14 118.68 122.69 2jqi s LEU 111 Ca 0.15 -0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 52.18 2jqi s LEU 111 Cb -0.10 -1.23 0.09 0.00 0.03 0.00 0.00 46.19 44.98 2jqi s LEU 111 CO 0.06 -0.16 0.50 0.59 0.23 0.00 0.00 176.35 177.57 2jqi n ASN 112 N 4.67 -3.33 0.00 2.29 3.02 -1.11 0.65 115.26 121.45 2jqi n ASN 112 Ca -0.14 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 53.93 2jqi n ASN 112 Cb 0.46 -2.77 0.00 0.00 -0.61 0.00 0.00 39.78 36.85 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 -1.15 0.76 3.37 7.41 0.00 -1.26 -5.04 105.19 109.29 2jqi n GLY 113 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.47 3.41 -0.31 1.61 1.11 0.21 -5.06 119.66 120.16 2jqi s GLN 114 Ca 0.00 -0.63 -0.29 0.00 0.01 0.00 0.00 55.36 54.45 2jqi s GLN 114 Cb 0.00 -3.22 -0.00 0.00 -1.01 0.00 0.00 33.01 28.77 2jqi s GLN 114 CO 0.00 -0.26 1.43 0.21 0.01 0.00 0.00 175.29 176.68 2jqi s LYS 115 N 1.54 3.77 0.61 2.91 2.47 -1.26 -0.61 119.74 129.16 2jqi s LYS 115 Ca 0.05 1.27 -0.05 0.00 -1.56 0.00 0.00 55.97 55.68 2jqi s LYS 115 Cb -0.15 -3.97 0.03 0.00 -1.46 0.00 0.00 37.83 32.27 2jqi s LYS 115 CO 0.01 -1.31 0.90 0.14 0.16 0.00 0.00 175.35 175.24 2jqi s VAL 116 N 4.97 3.18 0.03 4.02 -7.23 -1.18 -4.99 120.40 119.20 2jqi s VAL 116 Ca 0.62 -0.19 -0.30 0.00 -1.81 0.00 0.00 61.98 60.30 2jqi s VAL 116 Cb -0.18 -3.28 -0.06 0.00 0.56 0.00 0.00 36.38 33.42 2jqi s VAL 116 CO 0.28 -0.27 1.42 -1.61 -0.31 0.00 0.00 175.10 174.60 2jqi s GLU 117 N -5.00 4.28 0.86 4.82 0.41 -1.26 -4.75 118.70 118.06 2jqi s GLU 117 Ca 0.56 2.02 -0.14 0.00 -0.41 0.00 0.00 54.97 56.99 2jqi s GLU 117 Cb -0.11 -3.52 0.01 0.00 -1.78 0.00 0.00 34.13 28.74 2jqi s GLU 117 CO 0.44 -0.56 0.52 1.17 -0.49 0.00 0.00 175.26 176.34 2jqi n LYS 118 N 5.12 -0.04 -2.94 1.61 3.00 -1.26 -2.21 118.16 121.44 2jqi n LYS 118 Ca 0.13 0.04 -0.17 0.00 -0.00 0.00 0.00 58.31 58.31 2jqi n LYS 118 Cb 0.43 -1.90 -0.03 0.00 0.00 0.00 0.00 35.03 33.53 2jqi n LYS 118 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2jqi n ASN 119 N -1.14 -1.07 -4.56 3.14 0.23 0.46 -4.87 115.26 107.44 2jqi n ASN 119 Ca 0.08 -0.33 -0.31 0.00 -0.53 0.00 0.00 54.58 53.49 2jqi n ASN 119 Cb 0.52 -0.98 -0.11 0.00 -2.08 0.00 0.00 39.78 37.13 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 -2.12 4.41 0.04 0.53 0.15 -0.94 -4.90 113.70 110.87 2jqi s SER 120 Ca 0.34 -0.24 -0.29 0.00 0.70 0.00 0.00 55.95 56.46 2jqi s SER 120 Cb -0.20 -0.95 -0.04 0.00 -1.71 0.00 0.00 66.02 63.13 2jqi s SER 120 CO 0.41 0.26 0.94 0.20 1.20 0.00 0.00 173.24 176.25 2jqi s ASN 121 N -1.52 7.37 0.05 5.45 -0.87 -1.26 -4.02 114.94 120.14 2jqi s ASN 121 Ca 0.17 1.65 0.05 0.00 -1.57 0.00 0.00 52.86 53.17 2jqi s ASN 121 Cb -0.11 -2.56 -0.02 0.00 -0.02 0.00 0.00 41.25 38.54 2jqi s ASN 121 CO 0.08 -0.16 -0.15 -1.10 -2.57 0.00 0.00 177.10 173.19 2jqi s GLN 122 N 0.58 0.98 -0.17 -0.60 -1.52 -0.91 -4.92 119.66 113.09 2jqi s GLN 122 Ca 0.48 -0.84 -0.29 0.00 -1.95 0.00 0.00 55.36 52.76 2jqi s GLN 122 Cb -0.21 -1.01 -0.02 0.00 -0.22 0.00 0.00 33.01 31.54 2jqi s GLN 122 CO 0.28 0.25 1.41 -1.17 -0.25 0.00 0.00 175.29 175.80 2jqi s LEU 123 N -1.30 4.12 0.74 2.90 2.96 -1.26 -1.07 118.68 125.78 2jqi s LEU 123 Ca 0.02 1.73 -0.15 0.00 -0.22 0.00 0.00 54.13 55.50 2jqi s LEU 123 Cb -0.08 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.08 2jqi s LEU 123 CO 0.02 -0.92 0.95 -0.11 -1.32 0.00 0.00 176.35 174.97 2jqi n LEU 124 N 7.15 3.31 -4.32 -0.68 0.00 -0.74 -4.88 117.00 116.84 2jqi n LEU 124 Ca 0.15 0.64 -0.23 0.00 0.00 0.00 0.00 56.01 56.57 2jqi n LEU 124 Cb 0.45 -1.40 -0.12 0.00 0.00 0.00 0.00 43.42 42.35 2jqi n LEU 124 CO 0.60 -2.12 -0.50 -0.44 0.00 0.00 0.00 177.39 174.93 2jqi s SER 125 N -1.71 2.64 -0.02 1.96 0.01 -1.26 -4.97 113.70 110.36 2jqi s SER 125 Ca 0.72 -0.79 -0.30 0.00 1.31 0.00 0.00 55.95 56.89 2jqi s SER 125 Cb -0.33 -0.15 -0.05 0.00 0.21 0.00 0.00 66.02 65.70 2jqi s SER 125 CO 0.52 0.01 1.36 -1.58 0.41 0.00 0.00 173.24 173.95 2jqi s GLN 126 N -2.43 4.30 -2.08 12.44 2.00 -1.26 -2.52 119.66 130.11 2jqi s GLN 126 Ca 0.12 1.90 0.00 0.00 -2.00 0.00 0.00 55.36 55.38 2jqi s GLN 126 Cb -0.08 -3.58 0.00 0.00 0.80 0.00 0.00 33.01 30.16 2jqi s GLN 126 CO 0.06 -0.55 0.00 0.41 -0.50 0.00 0.00 175.29 174.71 2jqi n GLY 127 N 3.59 1.87 3.32 2.59 0.00 -1.03 -4.94 105.19 110.60 2jqi n GLY 127 Ca 0.13 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.28 -2.31 -3.83 1.61 -0.08 -1.05 -4.42 116.55 105.18 2jqi n ASP 128 Ca -0.20 0.05 -0.13 0.00 -1.51 0.00 0.00 54.79 53.00 2jqi n ASP 128 Cb 0.66 -1.04 -0.15 0.00 2.34 0.00 0.00 41.12 42.93 2jqi n ASP 128 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2jqi s GLU 129 N -3.49 0.00 -0.17 -0.67 2.02 -1.26 0.11 118.70 115.24 2jqi s GLU 129 Ca 0.56 0.07 -0.03 0.00 0.02 0.00 0.00 54.97 55.60 2jqi s GLU 129 Cb -0.15 -0.13 -0.02 0.00 0.10 0.00 0.00 34.13 33.93 2jqi s GLU 129 CO 0.67 -0.07 -0.06 0.42 0.02 0.00 0.00 175.26 176.24 2jqi s ILE 130 N 0.47 3.54 -0.08 -1.63 1.01 0.15 -2.77 121.20 121.88 2jqi s ILE 130 Ca -0.04 -0.47 -0.03 0.00 0.00 0.00 0.00 60.65 60.11 2jqi s ILE 130 Cb -0.06 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 2jqi s ILE 130 CO -0.01 0.48 0.06 -0.89 0.00 0.00 0.00 174.94 174.57 2jqi s THR 131 N 0.69 4.74 0.05 2.92 2.01 0.38 0.46 115.64 126.90 2jqi s THR 131 Ca -0.03 -0.16 -0.01 0.00 0.31 0.00 0.00 61.69 61.80 2jqi s THR 131 Cb -0.15 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 2jqi s THR 131 CO 0.02 0.55 -0.02 0.68 -0.69 0.00 0.00 174.62 175.16 2jqi s VAL 132 N -1.00 0.20 -0.01 3.82 -7.23 0.22 0.11 120.40 116.51 2jqi s VAL 132 Ca 0.16 -1.68 -0.00 0.00 -1.81 0.00 0.00 61.98 58.65 2jqi s VAL 132 Cb -0.12 -1.36 0.00 0.00 0.56 0.00 0.00 36.38 35.46 2jqi s VAL 132 CO 0.05 -0.93 0.01 0.61 -0.31 0.00 0.00 175.10 174.54 2jqi n GLY 133 N 0.28 0.74 3.78 2.32 0.00 -1.26 0.13 105.19 111.19 2jqi n GLY 133 Ca -0.15 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.88 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 4.42 0.00 1.61 1.01 -1.26 -2.59 120.40 120.58 2jqi s VAL 134 Ca 0.00 1.62 0.00 0.00 0.00 0.00 0.00 61.98 63.61 2jqi s VAL 134 Cb -0.00 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.29 2jqi s VAL 134 CO 0.01 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.21 2jqi n GLY 135 N 1.52 4.04 2.98 4.51 0.00 -1.26 -5.02 105.19 111.95 2jqi n GLY 135 Ca -0.06 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 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 0.59 1.61 1.01 -1.26 -5.00 120.40 118.71 2jqi s VAL 136 Ca 0.00 -0.50 0.29 0.00 0.00 0.00 0.00 61.98 61.77 2jqi s VAL 136 Cb 0.00 -1.31 0.39 0.00 0.00 0.00 0.00 36.38 35.46 2jqi s VAL 136 CO 0.00 0.42 1.81 -0.33 0.00 0.00 0.00 175.10 177.01 2jqi h GLU 137 N 8.10 0.00 -0.34 2.72 3.07 -1.98 0.81 114.58 126.97 2jqi h GLU 137 Ca -0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.51 2jqi h GLU 137 Cb 1.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 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 -3.65 2.47 -0.74 1.42 2.88 -1.26 -4.18 113.62 110.55 2jqi n SER 138 Ca 0.11 -1.89 0.05 0.00 -1.33 0.00 0.00 58.87 55.81 2jqi n SER 138 Cb 0.81 -0.22 0.10 0.00 -0.75 0.00 0.00 64.21 64.15 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 0.84 1.29 -4.66 -3.46 -0.08 0.28 -5.05 116.55 105.72 2jqi n ASP 139 Ca 0.17 -2.80 -0.35 0.00 -1.51 0.00 0.00 54.79 50.30 2jqi n ASP 139 Cb 0.43 -0.38 -0.10 0.00 2.34 0.00 0.00 41.12 43.42 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 -1.56 4.27 -0.05 5.18 1.01 -1.07 -4.27 121.20 124.71 2jqi s ILE 140 Ca 0.28 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.72 2jqi s ILE 140 Cb 0.28 -2.80 -0.00 0.00 0.01 0.00 0.00 42.46 39.95 2jqi s ILE 140 CO -0.07 0.59 -0.19 -0.22 0.00 0.00 0.00 174.94 175.06 2jqi s LEU 141 N -0.74 1.94 0.09 2.97 0.20 0.34 -4.94 118.68 118.54 2jqi s LEU 141 Ca 0.11 -0.40 0.05 0.00 0.69 0.00 0.00 54.13 54.58 2jqi s LEU 141 Cb -0.12 -1.08 -0.04 0.00 -0.43 0.00 0.00 46.19 44.53 2jqi s LEU 141 CO 0.02 0.16 0.01 -0.55 -0.29 0.00 0.00 176.35 175.70 2jqi s SER 142 N 0.09 5.09 0.08 3.68 0.15 -1.26 0.69 113.70 122.21 2jqi s SER 142 Ca -0.06 -0.17 0.02 0.00 0.70 0.00 0.00 55.95 56.44 2jqi s SER 142 Cb -0.13 -1.23 -0.04 0.00 -1.71 0.00 0.00 66.02 62.92 2jqi s SER 142 CO 0.03 0.17 -0.07 -0.76 1.20 0.00 0.00 173.24 173.81 2jqi s LEU 143 N -2.36 2.43 -0.02 3.45 1.43 0.17 -3.44 118.68 120.34 2jqi s LEU 143 Ca 0.26 -0.87 0.05 0.00 -1.03 0.00 0.00 54.13 52.55 2jqi s LEU 143 Cb -0.12 -0.11 -0.01 0.00 0.03 0.00 0.00 46.19 45.99 2jqi s LEU 143 CO 0.19 -0.38 -0.18 -0.69 0.23 0.00 0.00 176.35 175.52 2jqi s VAL 144 N -2.94 1.44 -0.24 -1.59 1.01 0.39 0.31 120.40 118.78 2jqi s VAL 144 Ca 0.05 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 2jqi s VAL 144 Cb 0.01 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 2jqi s VAL 144 CO -0.03 0.41 0.06 -0.63 0.00 0.00 0.00 175.10 174.91 2jqi s ILE 145 N -0.29 4.29 -0.31 2.22 1.01 0.29 0.78 121.20 129.19 2jqi s ILE 145 Ca 0.04 -0.18 -0.08 0.00 0.00 0.00 0.00 60.65 60.43 2jqi s ILE 145 Cb -0.08 -2.99 0.01 0.00 0.01 0.00 0.00 42.46 39.40 2jqi s ILE 145 CO 0.00 0.36 0.11 0.12 0.00 0.00 0.00 174.94 175.52 2jqi s PHE 146 N 1.48 3.17 0.03 3.97 5.36 0.31 -2.45 117.98 129.85 2jqi s PHE 146 Ca 0.06 -0.95 -0.25 0.00 -0.96 0.00 0.00 56.93 54.83 2jqi s PHE 146 Cb -0.15 -2.29 -0.05 0.00 -0.34 0.00 0.00 43.02 40.19 2jqi s PHE 146 CO 0.03 -0.58 0.76 0.42 -1.46 0.00 0.00 175.22 174.40 2jqi s ILE 147 N 1.51 4.77 -0.12 3.12 -1.09 -1.26 1.00 121.20 129.13 2jqi s ILE 147 Ca 0.02 1.61 -0.27 0.00 -2.23 0.00 0.00 60.65 59.79 2jqi s ILE 147 Cb -0.18 -4.11 -0.02 0.00 -1.58 0.00 0.00 42.46 36.58 2jqi s ILE 147 CO 0.04 0.35 0.89 0.21 -1.23 0.00 0.00 174.94 175.19 2jqi s ASN 148 N 0.05 7.08 0.42 3.58 2.47 -1.14 -4.93 114.94 122.48 2jqi s ASN 148 Ca 0.39 1.33 0.21 0.00 0.42 0.00 0.00 52.86 55.21 2jqi s ASN 148 Cb -0.20 -2.49 0.86 0.00 -1.45 0.00 0.00 41.25 37.97 2jqi s ASN 148 CO 0.22 -0.37 1.81 0.44 -3.72 0.00 0.00 177.10 175.48 2jqi h ASP 149 N 7.15 0.00 -0.46 -4.21 5.19 -1.93 -3.11 116.42 119.06 2jqi h ASP 149 Ca -0.32 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.11 2jqi h ASP 149 Cb 1.15 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.63 2jqi h ASP 149 CO 0.83 0.29 0.28 0.50 -3.12 0.00 0.00 179.24 178.02 2jqi h LYS 150 N 0.00 0.55 -0.69 3.56 3.64 -1.91 -1.37 116.57 120.35 2jqi h LYS 150 Ca -0.00 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 2jqi h LYS 150 Cb 0.76 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.41 2jqi h LYS 150 CO 0.04 0.36 0.42 0.35 -2.27 0.00 0.00 179.45 178.35 2jqi h PHE 151 N 0.57 0.79 -0.59 1.91 3.57 -1.76 -1.86 116.94 119.56 2jqi h PHE 151 Ca 0.18 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 2jqi h PHE 151 Cb -0.01 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.45 2jqi h PHE 151 CO -0.06 0.43 0.24 0.87 -2.23 0.00 0.00 178.31 177.56 2jqi h LYS 152 N 0.81 0.87 -0.37 1.11 6.56 -1.52 -1.25 116.57 122.79 2jqi h LYS 152 Ca 0.29 -0.16 0.02 0.00 -1.06 0.00 0.00 60.65 59.74 2jqi h LYS 152 Cb 0.06 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 31.55 2jqi h LYS 152 CO -0.13 0.74 0.22 0.37 -2.06 0.00 0.00 179.45 178.59 2jqi h GLN 153 N 0.81 0.43 -0.28 3.15 4.15 -0.73 0.15 115.11 122.78 2jqi h GLN 153 Ca 0.20 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.56 2jqi h GLN 153 Cb 0.19 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 2jqi h GLN 153 CO -0.02 0.28 0.07 0.00 -1.93 0.00 0.00 178.83 177.24 2jqi h LEU 155 N 0.29 0.69 -1.24 0.00 7.12 -0.99 0.96 115.31 122.13 2jqi h LEU 155 Ca 0.09 -0.10 -0.03 0.00 0.13 0.00 0.00 57.88 57.96 2jqi h LEU 155 Cb 0.28 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.21 2jqi h LEU 155 CO 0.00 0.66 0.14 -0.08 -0.13 0.00 0.00 178.44 179.04 2jqi h GLU 156 N 0.73 0.67 0.03 1.25 4.57 -0.50 -3.00 114.58 118.33 2jqi h GLU 156 Ca 0.17 -0.11 -0.32 0.00 -1.18 0.00 0.00 59.36 57.91 2jqi h GLU 156 Cb 0.24 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.66 2jqi h GLU 156 CO -0.01 0.59 -1.91 0.94 -1.18 0.00 0.00 179.01 177.44 2jqi n GLN 157 N -4.33 0.67 -3.14 1.92 0.00 -0.91 -5.05 117.38 106.55 2jqi n GLN 157 Ca 0.03 0.24 -0.01 0.00 -0.00 0.00 0.00 57.00 57.27 2jqi n GLN 157 Cb 0.18 -1.72 0.00 0.00 0.00 0.00 0.00 30.24 28.70 2jqi n GLN 157 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2jqi n ASN 158 N -3.12 -6.74 -4.76 1.69 0.23 0.33 -4.88 115.26 98.01 2jqi n ASN 158 Ca -0.24 0.52 -0.40 0.00 -0.53 0.00 0.00 54.58 53.93 2jqi n ASN 158 Cb 1.06 -2.06 -0.05 0.00 -2.08 0.00 0.00 39.78 36.65 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 -1.11 4.69 0.02 -3.83 2.20 -1.26 -5.02 119.74 115.43 2jqi s LYS 159 Ca 0.01 1.70 -0.23 0.00 -0.36 0.00 0.00 55.97 57.09 2jqi s LYS 159 Cb -0.00 -3.19 -0.05 0.00 -1.51 0.00 0.00 37.83 33.07 2jqi s LYS 159 CO 0.12 0.29 0.68 0.54 -0.36 0.00 0.00 175.35 176.62 2jqi s VAL 160 N -1.19 4.81 0.37 4.02 0.11 -1.26 -5.07 120.40 122.19 2jqi s VAL 160 Ca 0.44 1.44 0.03 0.00 -2.93 0.00 0.00 61.98 60.96 2jqi s VAL 160 Cb -0.30 -4.02 -0.04 0.00 -1.53 0.00 0.00 36.38 30.49 2jqi s VAL 160 CO 0.38 0.40 0.10 -1.81 -3.33 0.00 0.00 175.10 170.83 2jqi s ASP 161 N -0.16 2.52 0.00 3.54 1.01 -1.26 -5.03 116.67 117.29 2jqi s ASP 161 Ca 0.35 -1.54 0.00 0.00 0.71 0.00 0.00 52.55 52.07 2jqi s ASP 161 Cb -0.19 0.26 0.00 0.00 1.01 0.00 0.00 42.92 44.00 2jqi s ASP 161 CO 0.20 -0.79 0.00 -2.11 0.21 0.00 0.00 175.17 172.68 2jqi n ARG 162 N -0.80 0.00 -3.97 8.23 1.85 -1.26 -5.14 116.66 115.58 2jqi n ARG 162 Ca -0.04 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.44 2jqi n ARG 162 Cb 0.66 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 32.00 2jqi n ARG 162 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 2jqi s ILE 163 N -0.81 5.26 0.00 8.89 -4.36 -1.26 -5.31 121.20 123.62 2jqi s ILE 163 Ca 0.00 0.12 0.00 0.00 -0.26 0.00 0.00 60.65 60.51 2jqi s ILE 163 Cb 0.00 -3.29 0.00 0.00 1.25 0.00 0.00 42.46 40.42 2jqi s ILE 163 CO 0.00 0.60 0.00 -2.11 0.24 0.00 0.00 174.94 173.67