#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 -0.18 0.00 -1.04 -1.26 -4.39 114.28 107.41 2jqi n THR 15 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 2jqi n THR 15 Cb 0.00 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.54 2jqi n THR 15 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 2jqi h GLN 16 N 0.00 0.69 -0.80 -2.82 5.75 -2.07 -2.17 115.11 113.69 2jqi h GLN 16 Ca 0.00 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.49 2jqi h GLN 16 Cb 0.00 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.35 2jqi h GLN 16 CO 0.00 0.45 0.53 -0.09 -2.65 0.00 0.00 178.83 177.07 2jqi h ARG 17 N 0.71 0.97 -0.80 1.69 2.43 -2.01 -1.85 114.38 115.52 2jqi h ARG 17 Ca 0.20 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2jqi h ARG 17 Cb -0.07 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.23 2jqi h ARG 17 CO -0.05 0.64 0.45 0.74 -1.51 0.00 0.00 179.97 180.25 2jqi h PHE 18 N 1.00 1.08 -0.18 2.20 -1.00 -1.75 -1.78 116.94 116.51 2jqi h PHE 18 Ca 0.31 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.08 2jqi h PHE 18 Cb 0.01 -0.35 -0.01 0.00 3.61 0.00 0.00 35.95 39.22 2jqi h PHE 18 CO -0.00 0.74 0.12 -0.07 -1.61 0.00 0.00 178.31 177.49 2jqi h LEU 19 N 1.10 0.21 -0.47 1.54 3.38 -0.97 -1.58 115.31 118.53 2jqi h LEU 19 Ca 0.28 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 58.08 2jqi h LEU 19 Cb 0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2jqi h LEU 19 CO -0.05 0.16 -0.65 0.40 0.09 0.00 0.00 178.44 178.39 2jqi h ILE 20 N 0.25 1.35 -0.83 1.22 2.04 -1.12 -3.11 117.51 117.31 2jqi h ILE 20 Ca 0.07 -1.97 0.05 0.00 1.00 0.00 0.00 64.86 64.01 2jqi h ILE 20 Cb -0.02 1.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.95 2jqi h ILE 20 CO -0.01 0.60 0.52 -0.08 0.00 0.00 0.00 178.15 179.17 2jqi h GLU 21 N 0.34 0.93 0.00 2.37 4.22 -0.85 0.45 114.58 122.04 2jqi h GLU 21 Ca -0.01 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.34 2jqi h GLU 21 Cb 1.20 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2jqi h GLU 21 CO 0.11 0.62 -0.14 -0.22 -2.18 0.00 0.00 179.01 177.20 2jqi h LYS 22 N 0.96 0.00 -0.37 1.92 1.63 -1.48 -2.86 116.57 116.36 2jqi h LYS 22 Ca 0.36 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 60.20 2jqi h LYS 22 Cb 0.13 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.72 2jqi h LYS 22 CO -0.16 0.14 0.13 0.35 -3.45 0.00 0.00 179.45 176.45 2jqi h PHE 23 N 0.00 0.22 0.01 1.91 3.57 -0.84 -2.37 116.94 119.44 2jqi h PHE 23 Ca -0.00 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.33 2jqi h PHE 23 Cb 0.46 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 2jqi h PHE 23 CO 0.00 0.09 -0.88 0.77 -2.23 0.00 0.00 178.31 176.06 2jqi h SER 24 N 0.28 0.08 -3.74 0.41 0.02 -1.53 -3.38 113.55 105.69 2jqi h SER 24 Ca 0.17 -0.07 -0.77 0.00 -0.84 0.00 0.00 61.79 60.28 2jqi h SER 24 Cb 0.16 -0.03 -0.29 0.00 0.14 0.00 0.00 62.40 62.38 2jqi h SER 24 CO -0.18 0.92 0.13 -1.10 -1.14 0.00 0.00 176.83 175.46 2jqi s GLN 25 N -3.07 3.63 0.65 3.45 -1.52 -0.90 -5.06 119.66 116.85 2jqi s GLN 25 Ca -0.01 -2.79 -0.17 0.00 -1.95 0.00 0.00 55.36 50.44 2jqi s GLN 25 Cb 0.11 -4.33 -0.01 0.00 -0.22 0.00 0.00 33.01 28.55 2jqi s GLN 25 CO 0.81 -1.26 1.23 -1.21 -0.25 0.00 0.00 175.29 174.62 2jqi s GLU 26 N -0.47 2.61 -0.58 2.91 0.41 -1.23 -4.68 118.70 117.68 2jqi s GLU 26 Ca 0.23 1.88 -0.27 0.00 -0.41 0.00 0.00 54.97 56.40 2jqi s GLU 26 Cb -0.11 -1.88 -0.01 0.00 -1.78 0.00 0.00 34.13 30.35 2jqi s GLU 26 CO -0.08 -1.50 1.76 -1.14 -0.49 0.00 0.00 175.26 173.81 2jqi s GLN 27 N -3.51 2.83 0.04 1.61 0.74 -1.26 -4.97 119.66 115.15 2jqi s GLN 27 Ca 0.78 0.64 -0.19 0.00 0.05 0.00 0.00 55.36 56.64 2jqi s GLN 27 Cb -0.32 -4.32 -0.06 0.00 1.10 0.00 0.00 33.01 29.41 2jqi s GLN 27 CO 0.39 -2.49 0.57 0.42 -0.55 0.00 0.00 175.29 173.62 2jqi s ILE 28 N 8.23 4.81 0.00 -2.34 -1.09 -1.26 -4.62 121.20 124.93 2jqi s ILE 28 Ca 0.65 1.20 0.00 0.00 -2.23 0.00 0.00 60.65 60.27 2jqi s ILE 28 Cb -0.13 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 2jqi s ILE 28 CO 0.22 0.51 0.00 0.61 -1.23 0.00 0.00 174.94 175.06 2jqi n GLY 29 N 1.96 0.85 0.11 6.18 0.00 -1.26 -5.06 105.19 107.97 2jqi n GLY 29 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 2jqi n GLY 29 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2jqi h GLU 30 N 0.00 0.27 0.00 1.61 5.08 -2.02 -3.43 114.58 116.09 2jqi h GLU 30 Ca 0.00 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 57.94 2jqi h GLU 30 Cb 0.00 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.29 2jqi h GLU 30 CO 0.00 1.08 -0.15 0.27 -1.00 0.00 0.00 179.01 179.22 2jqi n ASN 31 N -4.31 -0.60 -4.73 1.42 0.23 -1.26 -5.04 115.26 100.98 2jqi n ASN 31 Ca -0.11 -1.23 -0.41 0.00 -0.53 0.00 0.00 54.58 52.30 2jqi n ASN 31 Cb 0.65 0.22 -0.04 0.00 -2.08 0.00 0.00 39.78 38.53 2jqi n ASN 31 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2jqi s ILE 32 N 0.02 4.13 -0.12 1.53 -1.09 -1.26 -0.69 121.20 123.72 2jqi s ILE 32 Ca 0.01 1.73 -0.10 0.00 -2.23 0.00 0.00 60.65 60.07 2jqi s ILE 32 Cb 0.07 -4.11 -0.03 0.00 -1.58 0.00 0.00 42.46 36.81 2jqi s ILE 32 CO -0.02 0.25 -0.19 0.52 -1.23 0.00 0.00 174.94 174.27 2jqi n VAL 33 N 2.86 1.14 -3.85 2.92 0.31 0.84 -4.29 118.33 118.26 2jqi n VAL 33 Ca 0.04 0.26 -0.10 0.00 -0.01 0.00 0.00 64.34 64.53 2jqi n VAL 33 Cb 0.47 -2.19 -0.08 0.00 -0.91 0.00 0.00 33.84 31.13 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 -2.86 2.37 -0.25 0.00 3.52 0.22 0.09 118.95 122.04 2jqi s ARG 35 Ca -0.03 -0.76 -0.13 0.00 -0.13 0.00 0.00 55.73 54.68 2jqi s ARG 35 Cb 0.00 -1.94 -0.04 0.00 -1.56 0.00 0.00 34.95 31.41 2jqi s ARG 35 CO -0.05 0.25 0.28 0.08 -0.81 0.00 0.00 175.30 175.04 2jqi s VAL 36 N 0.12 5.26 -0.15 7.11 1.01 -1.05 0.13 120.40 132.85 2jqi s VAL 36 Ca -0.09 0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.30 2jqi s VAL 36 Cb -0.14 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.64 2jqi s VAL 36 CO 0.05 0.26 -0.17 -0.63 0.00 0.00 0.00 175.10 174.60 2jqi s ILE 37 N 1.52 1.75 -0.37 2.22 1.01 0.31 -2.53 121.20 125.10 2jqi s ILE 37 Ca 0.12 -0.76 -0.25 0.00 0.00 0.00 0.00 60.65 59.76 2jqi s ILE 37 Cb -0.15 -1.60 0.01 0.00 0.01 0.00 0.00 42.46 40.73 2jqi s ILE 37 CO 0.08 0.49 0.88 0.00 0.00 0.00 0.00 174.94 176.39 2jqi h THR 39 N 5.82 0.35 0.00 0.00 1.35 -1.93 -3.28 112.91 115.21 2jqi h THR 39 Ca -0.24 -1.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.05 2jqi h THR 39 Cb 1.08 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 2jqi h THR 39 CO 0.96 0.20 0.00 0.35 -0.25 0.00 0.00 175.52 176.78 2jqi n THR 40 N -2.95 0.00 -2.62 6.82 -2.24 -1.26 -4.95 114.28 107.08 2jqi n THR 40 Ca -0.02 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.72 2jqi n THR 40 Cb 0.67 -0.50 0.01 0.00 -2.10 0.00 0.00 70.33 68.41 2jqi n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jqi n GLY 41 N 1.10 -1.14 0.70 3.38 0.00 -1.24 -4.99 105.19 102.99 2jqi n GLY 41 Ca 0.20 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.99 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 -0.77 0.00 -5.07 1.61 6.02 -1.26 -5.12 117.38 112.80 2jqi n GLN 42 Ca 0.06 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.74 2jqi n GLN 42 Cb 0.41 -0.21 -0.15 0.00 1.02 0.00 0.00 30.24 31.31 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 -1.35 2.28 0.25 5.09 1.09 -1.26 -4.99 121.20 122.31 2jqi s ILE 43 Ca 0.00 -1.16 -0.30 0.00 -1.10 0.00 0.00 60.65 58.10 2jqi s ILE 43 Cb 0.00 -1.85 -0.09 0.00 -1.06 0.00 0.00 42.46 39.46 2jqi s ILE 43 CO 0.00 0.49 1.17 -2.16 -0.10 0.00 0.00 174.94 174.34 2jqi s PRO 44 N -0.91 4.54 0.29 2.79 0.04 -1.26 -4.28 135.00 136.21 2jqi s PRO 44 Ca 0.11 1.89 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 2jqi s PRO 44 Cb -0.10 -3.19 -0.13 0.00 0.04 0.00 0.00 34.50 31.12 2jqi s PRO 44 CO 0.01 0.03 1.37 -0.89 0.04 0.00 0.00 177.00 177.57 2jqi n ILE 45 N 1.66 1.39 -4.31 0.56 5.41 -1.26 -4.89 119.36 117.91 2jqi n ILE 45 Ca 0.01 -0.35 -0.16 0.00 1.00 0.00 0.00 62.75 63.25 2jqi n ILE 45 Cb 0.44 -1.56 -0.10 0.00 -0.71 0.00 0.00 39.64 37.72 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 -1.02 1.27 -0.19 0.38 3.52 -1.05 -5.04 118.95 116.82 2jqi s ARG 46 Ca 0.63 -1.62 -0.00 0.00 -0.13 0.00 0.00 55.73 54.60 2jqi s ARG 46 Cb -0.60 -0.63 0.01 0.00 -1.56 0.00 0.00 34.95 32.17 2jqi s ARG 46 CO 0.55 -0.05 -0.16 -0.51 -0.81 0.00 0.00 175.30 174.32 2jqi s ASP 47 N -3.27 3.43 0.02 -2.12 1.11 -1.26 -2.53 116.67 112.04 2jqi s ASP 47 Ca 0.25 -0.60 -0.19 0.00 0.18 0.00 0.00 52.55 52.19 2jqi s ASP 47 Cb 0.05 -1.54 -0.06 0.00 1.07 0.00 0.00 42.92 42.44 2jqi s ASP 47 CO 0.07 -0.01 0.55 -0.76 1.18 0.00 0.00 175.17 176.20 2jqi s LEU 48 N 1.33 4.46 0.06 1.23 1.43 0.11 -5.00 118.68 122.31 2jqi s LEU 48 Ca 0.05 1.15 -0.09 0.00 -1.03 0.00 0.00 54.13 54.21 2jqi s LEU 48 Cb -0.13 -2.85 -0.00 0.00 0.03 0.00 0.00 46.19 43.24 2jqi s LEU 48 CO -0.11 0.20 0.18 -0.94 0.23 0.00 0.00 176.35 175.92 2jqi s SER 49 N -0.63 0.09 0.01 2.29 1.04 -1.26 -0.11 113.70 115.13 2jqi s SER 49 Ca 0.29 -0.53 0.01 0.00 0.48 0.00 0.00 55.95 56.20 2jqi s SER 49 Cb -0.18 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.24 2jqi s SER 49 CO 0.17 -0.65 -0.04 0.00 0.98 0.00 0.00 173.24 173.70 2jqi s ALA 50 N -3.26 0.30 0.19 5.32 0.00 0.14 -4.79 121.76 119.66 2jqi s ALA 50 Ca 0.00 -0.34 -0.30 0.00 0.00 0.00 0.00 51.96 51.33 2jqi s ALA 50 Cb 0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 23.12 23.05 2jqi s ALA 50 CO -0.08 0.01 1.12 -0.51 0.00 0.00 0.00 175.76 176.31 2jqi s ASP 51 N -0.60 7.22 0.17 0.00 1.01 -1.26 -4.66 116.67 118.55 2jqi s ASP 51 Ca -0.04 2.15 -0.11 0.00 0.71 0.00 0.00 52.55 55.25 2jqi s ASP 51 Cb -0.04 -2.61 0.07 0.00 1.01 0.00 0.00 42.92 41.35 2jqi s ASP 51 CO -0.00 -0.25 1.70 0.40 0.21 0.00 0.00 175.17 177.23 2jqi h ILE 52 N 3.66 1.24 -1.00 0.77 2.04 -1.96 -2.67 117.51 119.59 2jqi h ILE 52 Ca -0.45 -0.82 0.08 0.00 1.00 0.00 0.00 64.86 64.67 2jqi h ILE 52 Cb 1.21 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 37.87 2jqi h ILE 52 CO 0.72 0.31 0.64 0.77 0.00 0.00 0.00 178.15 180.59 2jqi h SER 53 N 0.85 1.00 -0.43 1.72 4.64 -1.99 0.13 113.55 119.46 2jqi h SER 53 Ca 0.19 0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.41 2jqi h SER 53 Cb 0.29 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2jqi h SER 53 CO -0.01 0.60 -0.22 1.56 -0.87 0.00 0.00 176.83 177.89 2jqi h GLN 54 N 1.11 0.91 -0.65 4.77 4.20 -1.88 -1.48 115.11 122.10 2jqi h GLN 54 Ca 0.45 -0.40 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 2jqi h GLN 54 Cb 0.28 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 2jqi h GLN 54 CO -0.21 1.06 0.18 0.28 -0.67 0.00 0.00 178.83 179.47 2jqi h VAL 55 N 0.74 1.25 -0.01 -0.54 2.07 -0.93 1.02 116.25 119.85 2jqi h VAL 55 Ca 0.10 -0.90 -0.12 0.00 0.82 0.00 0.00 66.70 66.59 2jqi h VAL 55 Cb 0.79 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2jqi h VAL 55 CO 0.07 0.34 -0.55 0.25 0.02 0.00 0.00 177.57 177.70 2jqi h LEU 56 N 0.95 0.03 -3.16 2.57 5.85 -0.72 -3.15 115.31 117.68 2jqi h LEU 56 Ca 0.21 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 2jqi h LEU 56 Cb 0.33 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 2jqi h LEU 56 CO -0.00 0.58 -0.23 0.29 -0.34 0.00 0.00 178.44 178.74 2jqi n LYS 57 N -3.88 1.76 -2.04 1.25 4.76 -0.57 -4.99 118.16 114.45 2jqi n LYS 57 Ca -0.01 -3.12 -0.37 0.00 -2.87 0.00 0.00 58.31 51.93 2jqi n LYS 57 Cb 0.56 -1.70 -0.03 0.00 -1.84 0.00 0.00 35.03 32.02 2jqi n LYS 57 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2jqi s GLU 58 N -3.16 2.61 -0.60 1.97 4.04 0.35 -4.83 118.70 119.08 2jqi s GLU 58 Ca 0.40 0.52 -0.02 0.00 0.04 0.00 0.00 54.97 55.92 2jqi s GLU 58 Cb 0.37 -4.46 0.42 0.00 0.02 0.00 0.00 34.13 30.48 2jqi s GLU 58 CO -0.02 -2.81 2.03 0.36 -1.84 0.00 0.00 175.26 172.99 2jqi n LYS 59 N 9.16 2.53 -4.28 -4.83 2.85 -1.26 -4.93 118.16 117.39 2jqi n LYS 59 Ca 0.22 -2.99 -0.19 0.00 -1.05 0.00 0.00 58.31 54.31 2jqi n LYS 59 Cb 0.52 -2.17 -0.08 0.00 -0.65 0.00 0.00 35.03 32.64 2jqi n LYS 59 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2jqi s ARG 60 N -3.47 1.70 0.53 -1.58 1.81 -1.26 -5.03 118.95 111.64 2jqi s ARG 60 Ca 0.59 -1.98 0.31 0.00 -1.72 0.00 0.00 55.73 52.93 2jqi s ARG 60 Cb 0.46 0.28 1.24 0.00 -0.45 0.00 0.00 34.95 36.49 2jqi s ARG 60 CO -0.01 -0.62 1.94 0.66 -0.68 0.00 0.00 175.30 176.60 2jqi h SER 61 N 2.17 0.00 -5.14 0.23 4.64 -2.01 -3.45 113.55 109.99 2jqi h SER 61 Ca -0.26 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.96 2jqi h SER 61 Cb 1.24 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.17 2jqi h SER 61 CO 0.39 0.04 -0.42 -0.51 -0.87 0.00 0.00 176.83 175.46 2jqi s ILE 62 N -3.65 0.14 -0.08 0.95 1.10 -1.26 -4.72 121.20 113.69 2jqi s ILE 62 Ca 0.01 -1.17 -0.06 0.00 -0.51 0.00 0.00 60.65 58.92 2jqi s ILE 62 Cb 0.09 -1.23 -0.02 0.00 0.15 0.00 0.00 42.46 41.45 2jqi s ILE 62 CO 0.57 -0.65 -0.12 0.29 -2.11 0.00 0.00 174.94 172.92 2jqi n LYS 63 N 0.19 0.24 -3.65 3.50 5.02 0.04 -4.92 118.16 118.58 2jqi n LYS 63 Ca -0.16 0.29 -0.06 0.00 -2.02 0.00 0.00 58.31 56.36 2jqi n LYS 63 Cb 0.61 -1.13 -0.08 0.00 -0.02 0.00 0.00 35.03 34.42 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 -1.72 0.41 -0.07 1.97 2.20 -1.16 -5.00 119.74 116.37 2jqi s LYS 64 Ca -0.10 1.18 0.00 0.00 -0.36 0.00 0.00 55.97 56.70 2jqi s LYS 64 Cb 0.01 0.52 -0.03 0.00 -1.51 0.00 0.00 37.83 36.82 2jqi s LYS 64 CO 0.14 -0.24 -0.06 0.54 -0.36 0.00 0.00 175.35 175.38 2jqi s VAL 65 N 2.71 3.81 -0.12 4.02 0.11 -1.26 -2.33 120.40 127.35 2jqi s VAL 65 Ca -0.03 -0.44 -0.07 0.00 -2.93 0.00 0.00 61.98 58.51 2jqi s VAL 65 Cb -0.12 -2.56 -0.04 0.00 -1.53 0.00 0.00 36.38 32.13 2jqi s VAL 65 CO -0.15 0.60 0.13 0.26 -3.33 0.00 0.00 175.10 172.61 2jqi s TRP 66 N -0.82 3.55 -0.16 1.54 0.51 0.57 -4.88 118.94 119.24 2jqi s TRP 66 Ca 0.13 0.49 -0.02 0.00 -2.12 0.00 0.00 56.10 54.57 2jqi s TRP 66 Cb -0.11 -1.94 -0.02 0.00 -0.81 0.00 0.00 33.47 30.60 2jqi s TRP 66 CO 0.02 0.69 -0.08 0.99 -0.51 0.00 0.00 176.95 178.06 2jqi s THR 67 N -0.95 3.38 0.06 2.01 2.01 -1.26 0.13 115.64 121.02 2jqi s THR 67 Ca 0.14 -0.53 0.09 0.00 0.31 0.00 0.00 61.69 61.71 2jqi s THR 67 Cb -0.12 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 2jqi s THR 67 CO 0.04 0.49 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.85 2jqi s PHE 68 N 0.66 2.38 -3.37 4.92 0.40 0.51 0.12 117.98 123.59 2jqi s PHE 68 Ca -0.04 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 2jqi s PHE 68 Cb -0.15 -1.39 0.00 0.00 0.51 0.00 0.00 43.02 41.99 2jqi s PHE 68 CO 0.02 0.19 0.00 0.41 0.70 0.00 0.00 175.22 176.55 2jqi n GLY 69 N 1.57 -1.18 1.62 4.36 0.00 -0.92 0.17 105.19 110.82 2jqi n GLY 69 Ca -0.17 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.68 2jqi n GLY 69 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jqi n ARG 70 N 0.00 1.83 -4.66 1.61 1.85 0.33 -1.41 116.66 116.21 2jqi n ARG 70 Ca 0.00 -1.64 -0.33 0.00 -1.00 0.00 0.00 57.85 54.88 2jqi n ARG 70 Cb 0.00 -1.67 -0.12 0.00 -1.05 0.00 0.00 32.46 29.62 2jqi n ARG 70 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 2jqi s ASN 71 N -0.26 4.46 0.19 2.89 3.04 -0.52 -4.48 114.94 120.25 2jqi s ASN 71 Ca 0.31 -0.12 0.18 0.00 0.04 0.00 0.00 52.86 53.27 2jqi s ASN 71 Cb 0.26 -1.29 0.82 0.00 -1.54 0.00 0.00 41.25 39.50 2jqi s ASN 71 CO 0.06 0.29 1.55 -2.65 -3.04 0.00 0.00 177.10 173.31 2jqi n PRO 72 N 2.67 0.11 -0.03 0.43 -0.02 -1.26 -2.20 135.00 134.71 2jqi n PRO 72 Ca -0.18 0.46 -0.18 0.00 -2.02 0.00 0.00 63.50 61.58 2jqi n PRO 72 Cb 0.53 -1.77 -0.13 0.00 -0.02 0.00 0.00 33.50 32.10 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 0.06 -1.24 3.55 0.00 -1.94 -3.47 119.26 118.42 2jqi h ALA 73 Ca 0.00 -0.79 -0.65 0.00 0.00 0.00 0.00 54.91 53.47 2jqi h ALA 73 Cb 0.19 0.25 0.11 0.00 0.00 0.00 0.00 17.79 18.34 2jqi h ALA 73 CO 0.00 0.38 -0.44 0.00 0.00 0.00 0.00 179.25 179.18 2jqi h ASP 75 N 1.12 0.00 -3.27 0.00 3.32 0.57 -3.38 116.42 114.78 2jqi h ASP 75 Ca -0.31 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.22 2jqi h ASP 75 Cb 1.42 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.62 2jqi h ASP 75 CO 0.57 0.00 -0.81 -0.47 -1.72 0.00 0.00 179.24 176.81 2jqi s TYR 76 N -3.98 1.45 -0.26 4.55 5.04 -0.42 -4.94 117.35 118.79 2jqi s TYR 76 Ca -0.04 -0.65 -0.13 0.00 -2.44 0.00 0.00 57.07 53.81 2jqi s TYR 76 Cb 0.10 -1.16 -0.04 0.00 0.35 0.00 0.00 41.96 41.20 2jqi s TYR 76 CO 0.30 -0.42 0.27 -1.58 -1.34 0.00 0.00 175.55 172.78 2jqi s HIS 77 N 1.34 3.27 -0.09 4.97 2.46 -1.26 -2.16 115.29 123.82 2jqi s HIS 77 Ca -0.02 0.30 -0.09 0.00 0.47 0.00 0.00 55.06 55.72 2jqi s HIS 77 Cb -0.14 -2.43 -0.03 0.00 -0.13 0.00 0.00 32.58 29.85 2jqi s HIS 77 CO -0.04 -0.11 -0.18 1.28 -2.47 0.00 0.00 174.74 173.22 2jqi n LEU 78 N 4.87 1.10 0.00 8.88 4.77 -0.50 -4.79 117.00 131.33 2jqi n LEU 78 Ca -0.12 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2jqi n LEU 78 Cb 0.51 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2jqi n LEU 78 CO 0.36 -0.40 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 2jqi n GLY 79 N 1.71 -1.60 2.61 -0.72 0.00 -1.26 -4.76 105.19 101.17 2jqi n GLY 79 Ca -0.07 0.77 -0.03 0.00 0.00 0.00 0.00 46.02 46.69 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 -0.99 -4.82 1.61 6.94 -1.26 -4.65 115.26 112.08 2jqi n ASN 80 Ca 0.00 -1.52 -0.37 0.00 -0.02 0.00 0.00 54.58 52.67 2jqi n ASN 80 Cb 0.00 0.96 -0.06 0.00 -2.36 0.00 0.00 39.78 38.32 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 0.01 4.79 0.32 1.53 1.01 -1.26 -4.98 121.20 122.62 2jqi s ILE 81 Ca 0.01 1.06 0.03 0.00 0.00 0.00 0.00 60.65 61.76 2jqi s ILE 81 Cb 0.01 -3.83 0.15 0.00 0.01 0.00 0.00 42.46 38.80 2jqi s ILE 81 CO -0.00 0.43 1.85 0.77 0.00 0.00 0.00 174.94 177.99 2jqi h SER 82 N 4.15 0.52 -0.00 3.58 4.64 -2.01 -2.37 113.55 122.06 2jqi h SER 82 Ca -0.49 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 60.71 2jqi h SER 82 Cb 1.21 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2jqi h SER 82 CO 0.64 0.60 -0.02 0.03 -0.87 0.00 0.00 176.83 177.22 2jqi h ARG 83 N 0.53 0.06 -6.20 4.77 2.47 -1.93 -3.42 114.38 110.65 2jqi h ARG 83 Ca 0.11 -0.01 -0.61 0.00 -1.26 0.00 0.00 59.98 58.22 2jqi h ARG 83 Cb 0.37 -0.01 -0.08 0.00 -1.65 0.00 0.00 29.97 28.59 2jqi h ARG 83 CO 0.01 0.09 -0.59 -0.51 0.56 0.00 0.00 179.97 179.53 2jqi s LEU 84 N -9.01 3.78 0.33 3.04 2.01 -0.89 -4.30 118.68 113.63 2jqi s LEU 84 Ca -0.05 -0.08 0.05 0.00 0.01 0.00 0.00 54.13 54.05 2jqi s LEU 84 Cb 0.17 -2.43 -0.02 0.00 0.01 0.00 0.00 46.19 43.92 2jqi s LEU 84 CO 0.68 0.12 0.48 -0.94 1.01 0.00 0.00 176.35 177.71 2jqi s SER 85 N -2.74 6.07 0.22 2.29 1.04 -1.26 -4.64 113.70 114.68 2jqi s SER 85 Ca 0.30 0.01 -0.17 0.00 0.48 0.00 0.00 55.95 56.57 2jqi s SER 85 Cb -0.11 -1.51 0.24 0.00 0.10 0.00 0.00 66.02 64.74 2jqi s SER 85 CO 0.22 -0.37 1.57 0.78 0.98 0.00 0.00 173.24 176.42 2jqi h ASN 86 N 0.87 -1.23 -3.44 7.02 2.35 -1.93 -2.40 115.58 116.82 2jqi h ASN 86 Ca -0.48 0.28 -0.63 0.00 -0.55 0.00 0.00 56.30 54.92 2jqi h ASN 86 Cb 1.25 0.66 -0.41 0.00 0.05 0.00 0.00 38.32 39.87 2jqi h ASN 86 CO 0.56 -0.29 -0.54 -0.54 -1.65 0.00 0.00 177.43 174.97 2jqi s LYS 87 N -6.02 2.43 0.12 0.81 1.02 -1.26 -0.51 119.74 116.33 2jqi s LYS 87 Ca -0.14 -3.17 -0.18 0.00 0.02 0.00 0.00 55.97 52.50 2jqi s LYS 87 Cb 0.20 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 2jqi s LYS 87 CO 0.72 -1.24 1.74 1.25 -0.92 0.00 0.00 175.35 176.89 2jqi h HIS 88 N 5.73 0.38 -3.98 3.18 2.76 0.22 -3.35 115.15 120.10 2jqi h HIS 88 Ca 0.09 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.15 2jqi h HIS 88 Cb 0.79 -0.12 -0.15 0.00 1.55 0.00 0.00 27.41 29.48 2jqi h HIS 88 CO 0.65 0.30 -0.52 -0.59 -1.30 0.00 0.00 177.93 176.48 2jqi s PHE 89 N -5.93 0.30 -0.00 5.26 -0.71 0.10 0.14 117.98 117.14 2jqi s PHE 89 Ca -0.13 -0.76 0.02 0.00 -1.04 0.00 0.00 56.93 55.02 2jqi s PHE 89 Cb 0.09 -0.20 -0.01 0.00 -1.21 0.00 0.00 43.02 41.69 2jqi s PHE 89 CO 0.71 -0.45 -0.06 -1.14 -1.34 0.00 0.00 175.22 172.94 2jqi s GLN 90 N -3.68 0.48 -0.12 1.99 0.74 0.39 0.19 119.66 119.65 2jqi s GLN 90 Ca 0.04 -0.24 0.03 0.00 0.05 0.00 0.00 55.36 55.24 2jqi s GLN 90 Cb 0.05 -0.45 0.01 0.00 1.10 0.00 0.00 33.01 33.71 2jqi s GLN 90 CO -0.10 0.12 -0.23 0.42 -0.55 0.00 0.00 175.29 174.96 2jqi s ILE 91 N -0.20 2.05 0.03 -2.34 1.01 0.35 0.15 121.20 122.25 2jqi s ILE 91 Ca 0.02 -0.99 0.05 0.00 0.00 0.00 0.00 60.65 59.73 2jqi s ILE 91 Cb -0.03 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 2jqi s ILE 91 CO -0.00 0.55 -0.12 -1.48 0.00 0.00 0.00 174.94 173.89 2jqi s LEU 92 N 0.61 2.90 -0.16 2.97 2.34 0.03 0.21 118.68 127.58 2jqi s LEU 92 Ca -0.12 -0.29 0.01 0.00 0.06 0.00 0.00 54.13 53.78 2jqi s LEU 92 Cb -0.17 -1.68 0.01 0.00 -0.56 0.00 0.00 46.19 43.79 2jqi s LEU 92 CO 0.03 0.26 -0.18 -0.22 -1.06 0.00 0.00 176.35 175.18 2jqi s LEU 93 N -1.48 2.29 0.00 1.48 2.96 -0.98 -0.30 118.68 122.64 2jqi s LEU 93 Ca 0.16 -0.56 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 2jqi s LEU 93 Cb -0.11 -1.51 0.00 0.00 0.50 0.00 0.00 46.19 45.07 2jqi s LEU 93 CO 0.07 0.05 0.00 0.61 -1.32 0.00 0.00 176.35 175.76 2jqi n GLY 94 N 4.26 0.25 2.46 7.98 0.00 -1.26 -0.78 105.19 118.10 2jqi n GLY 94 Ca -0.20 -0.96 -0.02 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.28 -4.86 -0.99 1.61 2.13 -1.26 -4.59 120.64 112.40 2jqi n GLU 95 Ca 0.00 3.57 0.14 0.00 0.66 0.00 0.00 57.16 61.52 2jqi n GLU 95 Cb 0.00 -4.75 -0.03 0.00 0.27 0.00 0.00 31.44 26.92 2jqi n GLU 95 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2jqi n ASP 96 N 1.82 -7.56 -2.78 4.31 9.92 -1.26 -3.81 116.55 117.20 2jqi n ASP 96 Ca -0.17 1.07 -0.29 0.00 -0.53 0.00 0.00 54.79 54.87 2jqi n ASP 96 Cb 0.26 -3.01 -0.06 0.00 -0.64 0.00 0.00 41.12 37.67 2jqi n ASP 96 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jqi n GLY 97 N -2.92 4.26 2.11 0.44 0.00 -1.26 -4.87 105.19 102.95 2jqi n GLY 97 Ca 0.01 -1.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.16 2jqi n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jqi n ASN 98 N 1.92 0.85 -4.22 1.61 3.02 -1.25 -4.99 115.26 112.20 2jqi n ASN 98 Ca 0.56 -2.38 -0.14 0.00 -0.03 0.00 0.00 54.58 52.59 2jqi n ASN 98 Cb 0.50 0.73 -0.10 0.00 -0.61 0.00 0.00 39.78 40.29 2jqi n ASN 98 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2jqi s LEU 99 N 0.00 2.49 -0.01 3.41 1.43 -1.26 -4.05 118.68 120.70 2jqi s LEU 99 Ca 0.15 -0.95 0.05 0.00 -1.03 0.00 0.00 54.13 52.35 2jqi s LEU 99 Cb 0.01 -0.31 -0.01 0.00 0.03 0.00 0.00 46.19 45.90 2jqi s LEU 99 CO 0.11 -0.32 -0.16 -0.76 0.23 0.00 0.00 176.35 175.45 2jqi s LEU 100 N -2.95 2.05 -0.20 1.79 1.43 0.59 -1.30 118.68 120.09 2jqi s LEU 100 Ca 0.13 -0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 52.89 2jqi s LEU 100 Cb 0.01 -0.81 -0.01 0.00 0.03 0.00 0.00 46.19 45.41 2jqi s LEU 100 CO -0.00 0.18 -0.07 -0.76 0.23 0.00 0.00 176.35 175.94 2jqi s LEU 101 N -0.47 2.83 -0.22 1.79 1.43 -0.03 -0.79 118.68 123.22 2jqi s LEU 101 Ca 0.06 -0.39 -0.00 0.00 -1.03 0.00 0.00 54.13 52.76 2jqi s LEU 101 Cb -0.06 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.48 2jqi s LEU 101 CO -0.00 0.01 -0.12 0.21 0.23 0.00 0.00 176.35 176.67 2jqi s ASN 102 N 1.29 3.85 0.14 2.29 2.47 0.41 -1.80 114.94 123.59 2jqi s ASN 102 Ca 0.03 -0.81 -0.30 0.00 0.42 0.00 0.00 52.86 52.21 2jqi s ASN 102 Cb -0.14 -1.58 -0.07 0.00 -1.45 0.00 0.00 41.25 38.01 2jqi s ASN 102 CO -0.03 -0.07 1.05 1.51 -3.72 0.00 0.00 177.10 175.84 2jqi s ASP 103 N 1.29 7.35 -0.25 -4.21 1.47 -1.24 0.15 116.67 121.23 2jqi s ASP 103 Ca 0.01 1.96 0.22 0.00 1.18 0.00 0.00 52.55 55.92 2jqi s ASP 103 Cb -0.15 -2.60 0.50 0.00 -0.34 0.00 0.00 42.92 40.33 2jqi s ASP 103 CO -0.08 -0.17 1.15 2.30 0.68 0.00 0.00 175.17 179.04 2jqi n ILE 104 N 2.68 1.10 -3.94 2.11 -5.35 -0.42 0.19 119.36 115.72 2jqi n ILE 104 Ca 0.03 -2.65 -0.31 0.00 -0.27 0.00 0.00 62.75 59.55 2jqi n ILE 104 Cb 0.47 1.27 -0.04 0.00 -1.74 0.00 0.00 39.64 39.60 2jqi n ILE 104 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2jqi s SER 105 N -3.49 6.25 0.32 7.28 0.01 0.37 -4.20 113.70 120.23 2jqi s SER 105 Ca 0.26 0.24 0.09 0.00 1.31 0.00 0.00 55.95 57.84 2jqi s SER 105 Cb 0.33 -1.90 0.53 0.00 0.21 0.00 0.00 66.02 65.19 2jqi s SER 105 CO -0.05 0.17 1.73 0.74 0.41 0.00 0.00 173.24 176.24 2jqi h THR 106 N 2.18 1.31 0.00 1.44 2.02 -1.87 -3.15 112.91 114.84 2jqi h THR 106 Ca -0.45 -1.51 0.00 0.00 0.77 0.00 0.00 66.41 65.21 2jqi h THR 106 Cb 1.16 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 2jqi h THR 106 CO 0.74 0.44 -1.66 0.59 0.37 0.00 0.00 175.52 176.01 2jqi n ASN 107 N -4.02 0.29 0.00 4.18 3.02 -1.26 -5.09 115.26 112.38 2jqi n ASN 107 Ca -0.02 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 2jqi n ASN 107 Cb 0.47 1.47 0.00 0.00 -0.61 0.00 0.00 39.78 41.11 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 1.23 3.24 3.36 7.41 0.00 -1.19 -4.85 105.19 114.39 2jqi n GLY 108 Ca -0.03 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.38 2.45 0.09 2.61 2.01 -1.26 -4.32 115.64 114.84 2jqi s THR 109 Ca 0.00 -0.94 0.08 0.00 0.31 0.00 0.00 61.69 61.14 2jqi s THR 109 Cb 0.00 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 2jqi s THR 109 CO 0.00 0.58 -0.17 0.26 -0.69 0.00 0.00 174.62 174.59 2jqi s TRP 110 N -0.46 2.56 -0.21 4.92 0.51 0.37 -2.63 118.94 124.00 2jqi s TRP 110 Ca 0.05 -0.25 0.01 0.00 -2.12 0.00 0.00 56.10 53.79 2jqi s TRP 110 Cb -0.12 -1.39 0.05 0.00 -0.81 0.00 0.00 33.47 31.20 2jqi s TRP 110 CO 0.01 0.35 -0.09 -1.17 -0.51 0.00 0.00 176.95 175.54 2jqi s LEU 111 N -1.94 2.41 -1.67 2.99 2.96 0.93 0.13 118.68 124.49 2jqi s LEU 111 Ca 0.17 -0.97 -0.13 0.00 -0.22 0.00 0.00 54.13 52.97 2jqi s LEU 111 Cb -0.11 -1.25 0.12 0.00 0.50 0.00 0.00 46.19 45.46 2jqi s LEU 111 CO 0.09 -0.16 0.55 0.59 -1.32 0.00 0.00 176.35 176.09 2jqi n ASN 112 N 4.66 -1.72 0.00 3.68 3.02 -1.06 0.75 115.26 124.59 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 -1.62 2.27 3.48 7.41 0.00 -1.26 -5.01 105.19 110.46 2jqi n GLY 113 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.42 3.62 -0.01 1.61 -0.21 0.23 -5.06 119.66 119.41 2jqi s GLN 114 Ca 0.00 -0.52 -0.30 0.00 0.02 0.00 0.00 55.36 54.56 2jqi s GLN 114 Cb 0.00 -3.49 -0.05 0.00 1.00 0.00 0.00 33.01 30.47 2jqi s GLN 114 CO 0.00 -0.27 1.33 0.21 -2.12 0.00 0.00 175.29 174.44 2jqi s LYS 115 N 1.65 4.31 0.44 2.91 2.47 -1.26 -0.05 119.74 130.21 2jqi s LYS 115 Ca 0.06 1.87 0.02 0.00 -1.56 0.00 0.00 55.97 56.36 2jqi s LYS 115 Cb -0.16 -3.54 0.00 0.00 -1.46 0.00 0.00 37.83 32.67 2jqi s LYS 115 CO 0.06 -0.51 0.63 0.14 0.16 0.00 0.00 175.35 175.83 2jqi s VAL 116 N 2.22 3.74 0.01 4.02 -7.23 -1.08 -4.93 120.40 117.15 2jqi s VAL 116 Ca 0.61 -0.68 -0.30 0.00 -1.81 0.00 0.00 61.98 59.80 2jqi s VAL 116 Cb -0.29 -3.36 -0.06 0.00 0.56 0.00 0.00 36.38 33.23 2jqi s VAL 116 CO 0.25 -0.22 1.44 -1.61 -0.31 0.00 0.00 175.10 174.65 2jqi s GLU 117 N -4.48 4.27 0.99 4.82 2.02 -1.26 -4.68 118.70 120.38 2jqi s GLU 117 Ca 0.49 2.02 -0.14 0.00 0.02 0.00 0.00 54.97 57.36 2jqi s GLU 117 Cb -0.10 -3.58 0.07 0.00 0.10 0.00 0.00 34.13 30.63 2jqi s GLU 117 CO 0.36 -0.60 0.43 1.17 0.02 0.00 0.00 175.26 176.64 2jqi n LYS 118 N 5.41 -0.67 -2.58 1.61 4.81 -1.26 -2.26 118.16 123.22 2jqi n LYS 118 Ca 0.14 -0.16 -0.09 0.00 -0.87 0.00 0.00 58.31 57.33 2jqi n LYS 118 Cb 0.43 -1.89 -0.02 0.00 0.02 0.00 0.00 35.03 33.57 2jqi n LYS 118 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2jqi n ASN 119 N -1.87 -0.98 -4.55 3.14 3.02 0.50 -4.86 115.26 109.66 2jqi n ASN 119 Ca 0.06 0.05 -0.32 0.00 -0.03 0.00 0.00 54.58 54.34 2jqi n ASN 119 Cb 0.55 -0.93 -0.11 0.00 -0.61 0.00 0.00 39.78 38.68 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 -1.92 4.36 -0.07 6.41 0.15 -0.96 -4.91 113.70 116.76 2jqi s SER 120 Ca 0.17 -0.20 -0.17 0.00 0.70 0.00 0.00 55.95 56.45 2jqi s SER 120 Cb -0.10 -0.95 -0.05 0.00 -1.71 0.00 0.00 66.02 63.21 2jqi s SER 120 CO 0.21 0.30 0.46 0.20 1.20 0.00 0.00 173.24 175.60 2jqi s ASN 121 N -1.25 6.74 0.08 5.45 0.01 -1.26 -3.68 114.94 121.03 2jqi s ASN 121 Ca 0.15 0.88 0.06 0.00 -0.71 0.00 0.00 52.86 53.24 2jqi s ASN 121 Cb -0.11 -2.28 -0.03 0.00 0.41 0.00 0.00 41.25 39.24 2jqi s ASN 121 CO 0.05 0.12 -0.16 -1.10 -1.51 0.00 0.00 177.10 174.50 2jqi s GLN 122 N 0.00 0.91 -0.07 -0.60 -1.52 -0.74 -4.90 119.66 112.74 2jqi s GLN 122 Ca 0.25 -1.01 -0.30 0.00 -1.95 0.00 0.00 55.36 52.35 2jqi s GLN 122 Cb -0.16 -0.99 -0.04 0.00 -0.22 0.00 0.00 33.01 31.61 2jqi s GLN 122 CO 0.12 0.22 1.35 -1.17 -0.25 0.00 0.00 175.29 175.56 2jqi s LEU 123 N -1.79 4.27 0.81 2.90 0.20 -1.26 -0.85 118.68 122.96 2jqi s LEU 123 Ca 0.00 1.94 -0.15 0.00 0.69 0.00 0.00 54.13 56.62 2jqi s LEU 123 Cb -0.10 -3.55 0.01 0.00 -0.43 0.00 0.00 46.19 42.12 2jqi s LEU 123 CO 0.03 -0.73 0.60 -0.11 -0.29 0.00 0.00 176.35 175.84 2jqi n LEU 124 N 5.95 1.08 -4.33 -0.68 7.94 -0.42 -4.89 117.00 121.65 2jqi n LEU 124 Ca 0.13 0.50 -0.23 0.00 -1.11 0.00 0.00 56.01 55.31 2jqi n LEU 124 Cb 0.44 -1.26 -0.12 0.00 0.53 0.00 0.00 43.42 43.02 2jqi n LEU 124 CO 0.58 -3.05 -0.50 -0.55 -1.11 0.00 0.00 177.39 172.76 2jqi s SER 125 N -1.75 2.71 -0.08 1.96 0.15 -1.26 -4.92 113.70 110.50 2jqi s SER 125 Ca 0.64 -0.81 -0.30 0.00 0.70 0.00 0.00 55.95 56.18 2jqi s SER 125 Cb -0.29 -0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 63.82 2jqi s SER 125 CO 0.60 0.01 1.43 -1.10 1.20 0.00 0.00 173.24 175.38 2jqi s GLN 126 N -2.52 4.23 -1.90 5.44 -1.52 -1.26 -2.57 119.66 119.56 2jqi s GLN 126 Ca 0.13 1.92 0.00 0.00 -1.95 0.00 0.00 55.36 55.47 2jqi s GLN 126 Cb -0.07 -3.79 0.00 0.00 -0.22 0.00 0.00 33.01 28.92 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 3.80 0.86 3.32 3.09 0.00 -1.10 -4.94 105.19 110.22 2jqi n GLY 127 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.54 -2.30 -3.78 1.61 2.03 -1.06 -4.49 116.55 107.02 2jqi n ASP 128 Ca -0.21 -0.19 -0.13 0.00 0.52 0.00 0.00 54.79 54.78 2jqi n ASP 128 Cb 0.66 -1.04 -0.13 0.00 -0.72 0.00 0.00 41.12 39.89 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 -3.79 0.19 -0.15 -0.67 2.12 -1.26 0.39 118.70 115.54 2jqi s GLU 129 Ca 0.60 0.35 -0.01 0.00 0.36 0.00 0.00 54.97 56.27 2jqi s GLU 129 Cb -0.16 -0.01 -0.01 0.00 0.26 0.00 0.00 34.13 34.21 2jqi s GLU 129 CO 0.65 -0.09 -0.11 0.42 -0.54 0.00 0.00 175.26 175.59 2jqi s ILE 130 N 0.61 3.13 -0.08 -3.70 1.01 0.41 -2.57 121.20 120.01 2jqi s ILE 130 Ca -0.04 -0.62 -0.03 0.00 0.00 0.00 0.00 60.65 59.95 2jqi s ILE 130 Cb -0.06 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 2jqi s ILE 130 CO -0.03 0.51 0.06 -0.89 0.00 0.00 0.00 174.94 174.58 2jqi s THR 131 N 0.55 4.76 0.05 2.92 2.01 0.35 0.31 115.64 126.58 2jqi s THR 131 Ca -0.07 -0.13 -0.01 0.00 0.31 0.00 0.00 61.69 61.79 2jqi s THR 131 Cb -0.15 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 2jqi s THR 131 CO 0.03 0.57 -0.03 0.68 -0.69 0.00 0.00 174.62 175.19 2jqi s VAL 132 N -0.98 0.20 -0.01 3.82 -7.23 0.29 0.14 120.40 116.63 2jqi s VAL 132 Ca 0.15 -1.66 -0.00 0.00 -1.81 0.00 0.00 61.98 58.67 2jqi s VAL 132 Cb -0.12 -1.32 0.00 0.00 0.56 0.00 0.00 36.38 35.50 2jqi s VAL 132 CO 0.05 -0.92 0.01 0.61 -0.31 0.00 0.00 175.10 174.54 2jqi n GLY 133 N 0.34 0.73 3.79 2.32 0.00 -1.26 0.89 105.19 112.00 2jqi n GLY 133 Ca -0.16 -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 4.45 0.00 1.61 1.01 -1.26 -3.05 120.40 120.16 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 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.21 2jqi n GLY 135 N 1.53 3.25 2.98 4.51 0.00 -1.26 -5.01 105.19 111.19 2jqi n GLY 135 Ca -0.06 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 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 0.58 1.61 1.01 -1.26 -5.00 120.40 118.69 2jqi s VAL 136 Ca 0.00 -0.50 0.30 0.00 0.00 0.00 0.00 61.98 61.78 2jqi s VAL 136 Cb 0.00 -1.30 0.41 0.00 0.00 0.00 0.00 36.38 35.49 2jqi s VAL 136 CO 0.00 0.42 1.81 -0.08 0.00 0.00 0.00 175.10 177.25 2jqi h GLU 137 N 8.04 0.00 -0.34 2.72 4.57 -1.98 0.76 114.58 128.34 2jqi h GLU 137 Ca -0.35 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 2jqi h GLU 137 Cb 1.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 2jqi h GLU 137 CO 0.48 0.00 0.00 -1.13 -1.18 0.00 0.00 179.01 177.18 2jqi n SER 138 N -3.73 2.49 -1.15 1.04 3.41 -1.26 -4.22 113.62 110.20 2jqi n SER 138 Ca 0.13 -1.89 0.05 0.00 -0.26 0.00 0.00 58.87 56.89 2jqi n SER 138 Cb 0.86 -0.23 0.09 0.00 -0.26 0.00 0.00 64.21 64.67 2jqi n SER 138 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2jqi n ASP 139 N 0.86 1.26 -4.69 4.04 -0.08 0.26 -5.06 116.55 113.15 2jqi n ASP 139 Ca 0.17 -2.71 -0.35 0.00 -1.51 0.00 0.00 54.79 50.39 2jqi n ASP 139 Cb 0.43 -0.38 -0.09 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 -1.21 4.41 -0.05 5.18 1.01 -1.17 -4.45 121.20 124.91 2jqi s ILE 140 Ca 0.35 -0.21 0.05 0.00 0.00 0.00 0.00 60.65 60.84 2jqi s ILE 140 Cb 0.38 -2.87 -0.00 0.00 0.01 0.00 0.00 42.46 39.98 2jqi s ILE 140 CO -0.13 0.60 -0.19 -0.22 0.00 0.00 0.00 174.94 174.99 2jqi s LEU 141 N -0.80 1.95 0.11 2.97 0.20 0.26 -4.96 118.68 118.41 2jqi s LEU 141 Ca 0.12 -0.41 0.07 0.00 0.69 0.00 0.00 54.13 54.60 2jqi s LEU 141 Cb -0.12 -1.10 -0.04 0.00 -0.43 0.00 0.00 46.19 44.50 2jqi s LEU 141 CO 0.02 0.17 -0.08 -0.55 -0.29 0.00 0.00 176.35 175.62 2jqi s SER 142 N 0.07 4.51 -0.01 3.68 0.15 -1.26 0.11 113.70 120.95 2jqi s SER 142 Ca -0.06 -0.36 0.02 0.00 0.70 0.00 0.00 55.95 56.25 2jqi s SER 142 Cb -0.13 -0.90 -0.00 0.00 -1.71 0.00 0.00 66.02 63.28 2jqi s SER 142 CO 0.03 0.17 -0.05 -0.76 1.20 0.00 0.00 173.24 173.83 2jqi s LEU 143 N -2.28 1.98 -0.06 3.45 2.01 0.15 -3.86 118.68 120.06 2jqi s LEU 143 Ca 0.23 -0.09 0.01 0.00 0.01 0.00 0.00 54.13 54.28 2jqi s LEU 143 Cb -0.11 -0.27 -0.03 0.00 0.01 0.00 0.00 46.19 45.79 2jqi s LEU 143 CO 0.15 0.06 -0.08 -0.69 1.01 0.00 0.00 176.35 176.80 2jqi s VAL 144 N -0.07 3.63 -0.23 -1.59 1.01 0.28 0.15 120.40 123.58 2jqi s VAL 144 Ca 0.01 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 2jqi s VAL 144 Cb -0.03 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 2jqi s VAL 144 CO -0.00 0.59 0.06 -0.63 0.00 0.00 0.00 175.10 175.12 2jqi s ILE 145 N -0.81 4.32 -0.30 2.22 1.01 0.16 0.11 121.20 127.91 2jqi s ILE 145 Ca 0.12 -0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.53 2jqi s ILE 145 Cb -0.11 -3.00 0.02 0.00 0.01 0.00 0.00 42.46 39.38 2jqi s ILE 145 CO 0.02 0.37 0.08 0.12 0.00 0.00 0.00 174.94 175.53 2jqi s PHE 146 N 1.33 3.17 -0.10 3.97 5.36 0.36 -2.71 117.98 129.35 2jqi s PHE 146 Ca 0.05 -1.09 -0.25 0.00 -0.96 0.00 0.00 56.93 54.68 2jqi s PHE 146 Cb -0.15 -2.26 -0.03 0.00 -0.34 0.00 0.00 43.02 40.25 2jqi s PHE 146 CO 0.03 -0.62 0.79 0.42 -1.46 0.00 0.00 175.22 174.38 2jqi s ILE 147 N 1.47 4.96 -0.10 3.12 1.09 -1.26 0.70 121.20 131.18 2jqi s ILE 147 Ca 0.02 1.59 -0.30 0.00 -1.10 0.00 0.00 60.65 60.86 2jqi s ILE 147 Cb -0.18 -4.11 -0.02 0.00 -1.06 0.00 0.00 42.46 37.09 2jqi s ILE 147 CO 0.02 0.15 1.08 0.21 -0.10 0.00 0.00 174.94 176.30 2jqi s ASN 148 N 0.98 7.16 0.39 3.58 2.47 -1.17 -4.92 114.94 123.43 2jqi s ASN 148 Ca 0.40 1.61 0.18 0.00 0.42 0.00 0.00 52.86 55.47 2jqi s ASN 148 Cb -0.18 -2.55 0.79 0.00 -1.45 0.00 0.00 41.25 37.86 2jqi s ASN 148 CO 0.17 -0.53 1.80 0.44 -3.72 0.00 0.00 177.10 175.27 2jqi h ASP 149 N 7.29 0.00 -0.40 -4.21 3.32 -1.93 -3.08 116.42 117.42 2jqi h ASP 149 Ca -0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 2jqi h ASP 149 Cb 1.14 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 2jqi h ASP 149 CO 0.88 0.35 0.26 0.11 -1.72 0.00 0.00 179.24 179.13 2jqi h LYS 150 N 0.00 0.52 -0.64 3.56 1.57 -1.91 -2.33 116.57 117.35 2jqi h LYS 150 Ca -0.00 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2jqi h LYS 150 Cb 0.76 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 2jqi h LYS 150 CO 0.05 0.35 0.38 0.35 -0.57 0.00 0.00 179.45 180.01 2jqi h PHE 151 N 0.54 0.72 -0.39 -1.35 3.57 -1.72 -1.58 116.94 116.72 2jqi h PHE 151 Ca 0.15 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.67 2jqi h PHE 151 Cb -0.06 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 2jqi h PHE 151 CO -0.05 0.40 0.26 0.87 -2.23 0.00 0.00 178.31 177.56 2jqi h LYS 152 N 0.75 0.51 -0.26 1.11 1.57 -1.51 -0.20 116.57 118.54 2jqi h LYS 152 Ca 0.26 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.94 2jqi h LYS 152 Cb 0.05 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2jqi h LYS 152 CO -0.12 0.34 -0.12 1.96 -0.57 0.00 0.00 179.45 180.94 2jqi h GLN 153 N 0.53 0.54 -0.29 3.15 4.20 -0.77 -0.97 115.11 121.49 2jqi h GLN 153 Ca 0.15 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 2jqi h GLN 153 Cb -0.05 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2jqi h GLN 153 CO -0.03 0.79 -0.12 0.00 -0.67 0.00 0.00 178.83 178.79 2jqi h LEU 155 N 0.35 0.65 -0.29 0.00 -0.00 -1.06 0.98 115.31 115.95 2jqi h LEU 155 Ca 0.07 -0.13 -0.03 0.00 -0.00 0.00 0.00 57.88 57.79 2jqi h LEU 155 Cb 0.63 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.11 2jqi h LEU 155 CO 0.04 0.69 0.04 -0.33 -0.00 0.00 0.00 178.44 178.88 2jqi h GLU 156 N 0.66 0.48 0.17 1.13 4.39 -1.07 -3.19 114.58 117.15 2jqi h GLU 156 Ca 0.14 -0.13 -0.29 0.00 0.34 0.00 0.00 59.36 59.42 2jqi h GLU 156 Cb 0.34 -0.05 0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2jqi h GLU 156 CO 0.01 0.59 -1.32 1.96 -1.16 0.00 0.00 179.01 179.09 2jqi h GLN 157 N 0.29 0.36 -5.17 2.33 7.50 -1.23 -3.47 115.11 115.73 2jqi h GLN 157 Ca 0.09 -0.61 -0.16 0.00 0.50 0.00 0.00 58.65 58.46 2jqi h GLN 157 Cb 0.34 0.23 -0.06 0.00 0.05 0.00 0.00 27.48 28.04 2jqi h GLN 157 CO 0.01 1.29 -0.23 0.27 -1.50 0.00 0.00 178.83 178.67 2jqi n ASN 158 N -3.59 -1.81 -4.32 1.46 0.23 0.34 -4.90 115.26 102.67 2jqi n ASN 158 Ca -0.11 0.13 -0.22 0.00 -0.53 0.00 0.00 54.58 53.84 2jqi n ASN 158 Cb 1.05 -1.63 -0.12 0.00 -2.08 0.00 0.00 39.78 37.00 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 -5.41 1.23 -0.05 -3.83 -0.14 -1.26 -5.08 119.74 105.20 2jqi s LYS 159 Ca 0.15 -1.34 -0.19 0.00 -1.36 0.00 0.00 55.97 53.23 2jqi s LYS 159 Cb -0.09 -1.35 -0.05 0.00 -1.68 0.00 0.00 37.83 34.66 2jqi s LYS 159 CO 0.19 0.29 0.54 0.14 -0.76 0.00 0.00 175.35 175.75 2jqi s VAL 160 N -1.80 5.04 0.43 3.17 -7.23 -1.26 -4.85 120.40 113.90 2jqi s VAL 160 Ca 0.13 1.11 0.00 0.00 -1.81 0.00 0.00 61.98 61.41 2jqi s VAL 160 Cb -0.07 -3.88 0.00 0.00 0.56 0.00 0.00 36.38 33.00 2jqi s VAL 160 CO 0.06 0.39 0.00 0.47 -0.31 0.00 0.00 175.10 175.71 2jqi n ASP 161 N 3.07 -3.66 -0.02 4.85 8.00 -1.26 -4.98 116.55 122.56 2jqi n ASP 161 Ca -0.07 0.81 -0.16 0.00 0.71 0.00 0.00 54.79 56.09 2jqi n ASP 161 Cb 0.51 3.44 -0.11 0.00 -0.02 0.00 0.00 41.12 44.95 2jqi n ASP 161 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2jqi h ARG 162 N 0.00 0.23 -5.73 -1.24 1.12 -2.07 -3.44 114.38 103.24 2jqi h ARG 162 Ca 0.00 -0.24 -0.67 0.00 -1.11 0.00 0.00 59.98 57.96 2jqi h ARG 162 Cb 0.00 0.07 -0.10 0.00 -0.01 0.00 0.00 29.97 29.92 2jqi h ARG 162 CO 0.00 0.95 -0.54 0.42 -3.11 0.00 0.00 179.97 177.69 2jqi s ILE 163 N -3.20 5.04 0.00 1.20 1.09 -1.26 -5.33 121.20 118.75 2jqi s ILE 163 Ca -0.15 0.03 0.00 0.00 -1.10 0.00 0.00 60.65 59.43 2jqi s ILE 163 Cb 0.02 -3.18 0.00 0.00 -1.06 0.00 0.00 42.46 38.24 2jqi s ILE 163 CO 0.76 0.60 0.00 -2.11 -0.10 0.00 0.00 174.94 174.09