#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 -0.03 0.00 -2.24 -1.26 -4.83 114.28 105.92 2jqi n THR 15 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 2jqi n THR 15 Cb 0.00 -0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 67.74 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 0.74 -0.98 -0.78 4.20 -2.07 -3.16 115.11 113.07 2jqi h GLN 16 Ca 0.00 -0.51 0.03 0.00 0.06 0.00 0.00 58.65 58.23 2jqi h GLN 16 Cb 0.00 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.80 2jqi h GLN 16 CO 0.00 1.13 0.64 0.07 -0.67 0.00 0.00 178.83 180.00 2jqi h ARG 17 N 0.55 1.22 -0.92 1.46 -0.00 -2.01 -1.83 114.38 112.85 2jqi h ARG 17 Ca -0.01 -0.07 0.01 0.00 -0.00 0.00 0.00 59.98 59.91 2jqi h ARG 17 Cb 1.21 -0.28 -0.05 0.00 -0.00 0.00 0.00 29.97 30.86 2jqi h ARG 17 CO 0.13 0.81 0.59 0.35 -0.00 0.00 0.00 179.97 181.85 2jqi h PHE 18 N 1.26 1.17 -0.17 4.08 3.04 -1.87 -1.41 116.94 123.05 2jqi h PHE 18 Ca 0.38 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.33 2jqi h PHE 18 Cb -0.04 -0.39 -0.01 0.00 2.56 0.00 0.00 35.95 38.07 2jqi h PHE 18 CO -0.00 0.75 0.01 1.25 -2.02 0.00 0.00 178.31 178.30 2jqi h LEU 19 N 1.25 0.21 -0.51 0.59 5.85 -1.33 -2.10 115.31 119.27 2jqi h LEU 19 Ca 0.34 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.87 2jqi h LEU 19 Cb -0.12 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 2jqi h LEU 19 CO -0.07 0.26 -0.59 0.40 -0.34 0.00 0.00 178.44 178.10 2jqi h ILE 20 N 0.24 1.34 -0.46 4.05 2.04 -1.03 -2.86 117.51 120.83 2jqi h ILE 20 Ca 0.06 -1.88 0.04 0.00 1.00 0.00 0.00 64.86 64.08 2jqi h ILE 20 Cb 0.16 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 2jqi h ILE 20 CO 0.00 0.58 0.23 -0.33 0.00 0.00 0.00 178.15 178.63 2jqi h GLU 21 N 0.37 0.45 0.00 2.37 5.08 -0.96 -0.25 114.58 121.64 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 1.13 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 2jqi h GLU 21 CO 0.11 0.30 -0.14 -0.22 -1.00 0.00 0.00 179.01 178.05 2jqi h LYS 22 N 0.46 0.00 -0.36 2.33 3.64 -1.51 -3.00 116.57 118.14 2jqi h LYS 22 Ca 0.20 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.62 2jqi h LYS 22 Cb 0.10 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 2jqi h LYS 22 CO -0.14 0.14 0.11 0.35 -2.27 0.00 0.00 179.45 177.65 2jqi h PHE 23 N 0.00 0.20 0.00 1.91 3.04 -0.80 -1.32 116.94 119.97 2jqi h PHE 23 Ca -0.00 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.93 2jqi h PHE 23 Cb 0.48 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.95 2jqi h PHE 23 CO 0.00 0.07 -0.16 0.77 -2.02 0.00 0.00 178.31 176.97 2jqi h SER 24 N 0.25 0.00 -3.53 0.41 0.02 -1.44 -3.49 113.55 105.77 2jqi h SER 24 Ca 0.16 0.00 0.33 0.00 -0.84 0.00 0.00 61.79 61.45 2jqi h SER 24 Cb 0.15 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.56 2jqi h SER 24 CO -0.18 0.16 -0.84 0.00 -1.14 0.00 0.00 176.83 174.83 2jqi n GLN 25 N -3.28 -2.84 -1.88 3.45 6.02 -0.50 -4.74 117.38 113.61 2jqi n GLN 25 Ca 0.01 2.14 -0.42 0.00 -0.01 0.00 0.00 57.00 58.72 2jqi n GLN 25 Cb 0.42 -3.38 -0.02 0.00 1.02 0.00 0.00 30.24 28.28 2jqi n GLN 25 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2jqi s GLU 26 N -3.22 4.19 -0.49 -1.09 -6.30 -1.26 -4.96 118.70 105.57 2jqi s GLU 26 Ca 0.00 2.45 -0.21 0.00 -2.50 0.00 0.00 54.97 54.71 2jqi s GLU 26 Cb 0.00 -3.09 0.04 0.00 0.00 0.00 0.00 34.13 31.08 2jqi s GLU 26 CO 0.00 -0.59 0.69 -1.14 0.02 0.00 0.00 175.26 174.25 2jqi s GLN 27 N 0.27 3.22 0.17 4.30 2.00 -1.26 -5.04 119.66 123.32 2jqi s GLN 27 Ca 0.66 -0.57 -0.28 0.00 -2.00 0.00 0.00 55.36 53.17 2jqi s GLN 27 Cb -0.45 -4.03 -0.08 0.00 0.80 0.00 0.00 33.01 29.25 2jqi s GLN 27 CO 0.39 -1.19 0.86 0.42 -0.50 0.00 0.00 175.29 175.28 2jqi s ILE 28 N 2.95 4.34 -0.12 -2.34 -1.09 -1.26 -4.91 121.20 118.76 2jqi s ILE 28 Ca 0.21 1.89 0.03 0.00 -2.23 0.00 0.00 60.65 60.55 2jqi s ILE 28 Cb -0.16 -4.23 0.10 0.00 -1.58 0.00 0.00 42.46 36.59 2jqi s ILE 28 CO 0.16 0.46 0.82 0.61 -1.23 0.00 0.00 174.94 175.76 2jqi n GLY 29 N 1.78 -0.26 0.11 6.18 0.00 -1.26 -5.00 105.19 106.73 2jqi n GLY 29 Ca -0.03 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 0.41 0.23 0.00 1.61 4.81 -2.02 -3.44 114.58 116.19 2jqi h GLU 30 Ca -0.18 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2jqi h GLU 30 Cb 1.10 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2jqi h GLU 30 CO -0.07 0.74 0.00 0.09 -0.73 0.00 0.00 179.01 179.04 2jqi n ASN 31 N -4.60 0.00 -4.49 1.04 3.02 -1.26 -5.03 115.26 103.94 2jqi n ASN 31 Ca -0.08 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.05 2jqi n ASN 31 Cb 0.38 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.52 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 4.23 0.10 2.41 -1.09 -1.26 -0.84 121.20 124.75 2jqi s ILE 32 Ca 0.00 -0.58 -0.25 0.00 -2.23 0.00 0.00 60.65 57.59 2jqi s ILE 32 Cb 0.00 -4.82 -0.08 0.00 -1.58 0.00 0.00 42.46 35.97 2jqi s ILE 32 CO 0.00 -1.64 1.42 0.58 -1.23 0.00 0.00 174.94 174.08 2jqi h VAL 33 N 6.10 0.00 -3.56 2.92 2.07 -1.61 -3.37 116.25 118.81 2jqi h VAL 33 Ca -0.09 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 2jqi h VAL 33 Cb 1.04 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.70 2jqi h VAL 33 CO 1.23 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 178.70 2jqi s ARG 35 N -3.92 1.77 -0.24 0.00 3.52 0.30 -0.35 118.95 120.03 2jqi s ARG 35 Ca 0.13 -0.72 -0.08 0.00 -0.13 0.00 0.00 55.73 54.93 2jqi s ARG 35 Cb 0.01 -1.64 -0.04 0.00 -1.56 0.00 0.00 34.95 31.72 2jqi s ARG 35 CO -0.01 0.39 0.09 0.14 -0.81 0.00 0.00 175.30 175.10 2jqi s VAL 36 N -0.33 4.67 -0.14 7.11 -7.23 -1.01 0.14 120.40 123.61 2jqi s VAL 36 Ca 0.04 -0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.15 2jqi s VAL 36 Cb -0.09 -3.17 0.03 0.00 0.56 0.00 0.00 36.38 33.70 2jqi s VAL 36 CO 0.00 0.35 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.41 2jqi s ILE 37 N 1.28 1.33 -0.68 -0.62 1.01 0.29 -2.73 121.20 121.08 2jqi s ILE 37 Ca 0.05 -0.55 -0.27 0.00 0.00 0.00 0.00 60.65 59.88 2jqi s ILE 37 Cb -0.15 -1.32 0.03 0.00 0.01 0.00 0.00 42.46 41.03 2jqi s ILE 37 CO 0.04 0.36 1.25 0.00 0.00 0.00 0.00 174.94 176.59 2jqi h THR 39 N 6.08 0.08 0.00 0.00 1.03 -1.88 -2.38 112.91 115.85 2jqi h THR 39 Ca -0.27 -0.45 0.00 0.00 -0.01 0.00 0.00 66.41 65.68 2jqi h THR 39 Cb 1.05 1.41 0.00 0.00 -1.07 0.00 0.00 68.15 69.55 2jqi h THR 39 CO 1.24 0.02 0.00 0.35 -0.01 0.00 0.00 175.52 177.13 2jqi n THR 40 N -3.15 0.01 -2.90 0.00 -2.24 -1.25 -4.95 114.28 99.79 2jqi n THR 40 Ca -0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 2jqi n THR 40 Cb 0.26 -0.51 0.01 0.00 -2.10 0.00 0.00 70.33 67.99 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 -1.27 0.60 3.38 0.00 -0.90 -4.98 105.19 103.11 2jqi n GLY 41 Ca 0.20 0.92 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 -0.90 0.00 -4.61 1.61 6.02 -1.26 -5.11 117.38 113.13 2jqi n GLN 42 Ca 0.07 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.74 2jqi n GLN 42 Cb 0.47 -0.25 -0.11 0.00 1.02 0.00 0.00 30.24 31.37 2jqi n GLN 42 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2jqi s ILE 43 N -1.30 3.39 0.20 5.09 1.01 -1.26 -5.02 121.20 123.31 2jqi s ILE 43 Ca 0.00 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.56 2jqi s ILE 43 Cb 0.00 -2.42 -0.08 0.00 0.01 0.00 0.00 42.46 39.96 2jqi s ILE 43 CO 0.00 0.46 1.24 -2.16 0.00 0.00 0.00 174.94 174.48 2jqi s PRO 44 N -1.18 4.45 0.38 2.79 0.04 -1.26 -4.41 135.00 135.82 2jqi s PRO 44 Ca 0.15 1.96 -0.26 0.00 0.04 0.00 0.00 61.00 62.88 2jqi s PRO 44 Cb -0.11 -3.21 -0.11 0.00 0.04 0.00 0.00 34.50 31.11 2jqi s PRO 44 CO 0.05 -0.14 1.23 -0.89 0.04 0.00 0.00 177.00 177.29 2jqi n ILE 45 N 2.43 2.30 -4.21 0.56 5.41 -1.26 -4.92 119.36 119.66 2jqi n ILE 45 Ca 0.05 -0.50 -0.12 0.00 1.00 0.00 0.00 62.75 63.17 2jqi n ILE 45 Cb 0.44 -1.49 -0.10 0.00 -0.71 0.00 0.00 39.64 37.78 2jqi n ILE 45 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2jqi s ARG 46 N -2.02 1.04 -0.18 0.38 3.52 -1.10 -5.06 118.95 115.52 2jqi s ARG 46 Ca 0.59 -1.49 0.01 0.00 -0.13 0.00 0.00 55.73 54.71 2jqi s ARG 46 Cb -0.55 -0.15 0.02 0.00 -1.56 0.00 0.00 34.95 32.71 2jqi s ARG 46 CO 0.60 -0.15 -0.19 -0.51 -0.81 0.00 0.00 175.30 174.24 2jqi s ASP 47 N -3.13 3.21 -0.08 -2.12 1.01 -1.26 -2.40 116.67 111.90 2jqi s ASP 47 Ca 0.22 -0.68 -0.24 0.00 0.71 0.00 0.00 52.55 52.57 2jqi s ASP 47 Cb 0.06 -1.49 -0.03 0.00 1.01 0.00 0.00 42.92 42.47 2jqi s ASP 47 CO 0.02 -0.01 0.72 -0.76 0.21 0.00 0.00 175.17 175.35 2jqi s LEU 48 N 1.29 4.30 0.05 1.23 1.02 0.53 -5.00 118.68 122.08 2jqi s LEU 48 Ca 0.04 1.18 0.01 0.00 0.02 0.00 0.00 54.13 55.39 2jqi s LEU 48 Cb -0.13 -3.10 -0.03 0.00 0.02 0.00 0.00 46.19 42.94 2jqi s LEU 48 CO -0.12 -0.16 -0.05 -0.94 0.02 0.00 0.00 176.35 175.10 2jqi s SER 49 N 0.86 0.68 -0.03 2.29 1.04 -1.26 -1.78 113.70 115.50 2jqi s SER 49 Ca 0.38 -0.73 -0.13 0.00 0.48 0.00 0.00 55.95 55.95 2jqi s SER 49 Cb -0.18 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.06 2jqi s SER 49 CO 0.17 -0.37 0.28 0.00 0.98 0.00 0.00 173.24 174.30 2jqi s ALA 50 N -2.43 -0.69 -0.10 5.32 0.00 -0.02 -4.79 121.76 119.03 2jqi s ALA 50 Ca -0.03 0.33 -0.30 0.00 0.00 0.00 0.00 51.96 51.97 2jqi s ALA 50 Cb -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 2jqi s ALA 50 CO -0.03 -0.23 1.02 -0.51 0.00 0.00 0.00 175.76 176.01 2jqi s ASP 51 N -1.08 7.23 0.12 0.00 1.01 -1.26 -4.62 116.67 118.07 2jqi s ASP 51 Ca -0.11 1.55 -0.16 0.00 0.71 0.00 0.00 52.55 54.54 2jqi s ASP 51 Cb -0.05 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 2jqi s ASP 51 CO 0.03 -0.46 1.62 0.40 0.21 0.00 0.00 175.17 176.97 2jqi h ILE 52 N 5.09 1.22 -0.91 0.77 2.04 -1.96 -1.80 117.51 121.97 2jqi h ILE 52 Ca -0.31 -0.75 0.03 0.00 1.00 0.00 0.00 64.86 64.83 2jqi h ILE 52 Cb 1.15 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 2jqi h ILE 52 CO 0.86 0.26 0.60 0.28 0.00 0.00 0.00 178.15 180.14 2jqi h SER 53 N 0.44 1.01 -0.20 1.72 0.02 -1.98 0.22 113.55 114.77 2jqi h SER 53 Ca 0.12 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.93 2jqi h SER 53 Cb 0.29 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2jqi h SER 53 CO 0.00 0.70 -0.29 1.56 -1.14 0.00 0.00 176.83 177.66 2jqi h GLN 54 N 1.18 0.70 -0.22 3.45 1.08 -1.94 -0.86 115.11 118.49 2jqi h GLN 54 Ca 0.36 -0.31 -0.18 0.00 -1.45 0.00 0.00 58.65 57.06 2jqi h GLN 54 Cb -0.04 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 2jqi h GLN 54 CO -0.10 0.91 -0.57 0.28 -0.95 0.00 0.00 178.83 178.39 2jqi h VAL 55 N 0.60 1.29 0.00 -0.54 2.07 -0.56 0.43 116.25 119.54 2jqi h VAL 55 Ca 0.07 -1.78 -0.12 0.00 0.82 0.00 0.00 66.70 65.70 2jqi h VAL 55 Cb 0.80 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 2jqi h VAL 55 CO 0.07 0.57 -0.55 0.25 0.02 0.00 0.00 177.57 177.92 2jqi h LEU 56 N 0.53 0.00 0.00 2.57 5.85 -0.53 -3.28 115.31 120.45 2jqi h LEU 56 Ca -0.01 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 2jqi h LEU 56 Cb 1.19 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 2jqi h LEU 56 CO 0.12 0.55 -0.17 0.50 -0.34 0.00 0.00 178.44 179.10 2jqi h LYS 57 N 0.00 0.00 -6.70 1.25 1.63 -1.12 -3.45 116.57 108.18 2jqi h LYS 57 Ca -0.01 -0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 59.27 2jqi h LYS 57 Cb 0.98 0.00 0.05 0.00 -0.60 0.00 0.00 32.23 32.66 2jqi h LYS 57 CO 0.07 1.00 0.81 -2.00 -3.45 0.00 0.00 179.45 175.88 2jqi s GLU 58 N -2.24 4.24 -0.03 1.90 2.12 0.14 -4.91 118.70 119.92 2jqi s GLU 58 Ca -0.20 2.34 0.10 0.00 0.36 0.00 0.00 54.97 57.57 2jqi s GLU 58 Cb -0.02 -3.12 -0.16 0.00 0.26 0.00 0.00 34.13 31.10 2jqi s GLU 58 CO 0.68 -0.50 0.20 1.63 -0.54 0.00 0.00 175.26 176.73 2jqi n LYS 59 N 2.88 0.62 -0.70 4.30 5.02 -1.26 -4.84 118.16 124.18 2jqi n LYS 59 Ca 0.09 -0.08 -0.33 0.00 -2.02 0.00 0.00 58.31 55.98 2jqi n LYS 59 Cb 0.39 -1.25 0.16 0.00 -0.02 0.00 0.00 35.03 34.32 2jqi n LYS 59 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jqi n ARG 60 N -1.93 -1.32 -1.69 1.97 5.12 -1.26 -4.81 116.66 112.72 2jqi n ARG 60 Ca -0.04 -0.36 -0.43 0.00 -1.93 0.00 0.00 57.85 55.09 2jqi n ARG 60 Cb 0.35 -1.73 -0.03 0.00 -1.16 0.00 0.00 32.46 29.89 2jqi n ARG 60 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2jqi n SER 61 N -1.57 3.95 -1.15 0.55 2.88 -1.26 -4.70 113.62 112.31 2jqi n SER 61 Ca 0.02 1.01 0.14 0.00 -1.33 0.00 0.00 58.87 58.70 2jqi n SER 61 Cb 0.61 -1.54 -0.05 0.00 -0.75 0.00 0.00 64.21 62.48 2jqi n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jqi n ILE 62 N 4.49 0.00 0.07 2.46 0.13 -1.26 -4.99 119.36 120.27 2jqi n ILE 62 Ca 0.18 0.27 0.00 0.00 -1.10 0.00 0.00 62.75 62.10 2jqi n ILE 62 Cb 0.36 -0.62 0.00 0.00 -0.84 0.00 0.00 39.64 38.54 2jqi n ILE 62 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 2jqi n LYS 63 N -3.55 0.00 -3.96 9.51 4.76 -0.44 -4.94 118.16 119.54 2jqi n LYS 63 Ca -0.02 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.20 2jqi n LYS 63 Cb 0.63 -0.13 -0.17 0.00 -1.84 0.00 0.00 35.03 33.52 2jqi n LYS 63 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2jqi s LYS 64 N -1.64 0.79 -0.02 1.97 2.20 -1.16 -5.01 119.74 116.87 2jqi s LYS 64 Ca 0.00 -0.02 0.06 0.00 -0.36 0.00 0.00 55.97 55.65 2jqi s LYS 64 Cb 0.00 -0.97 -0.01 0.00 -1.51 0.00 0.00 37.83 35.34 2jqi s LYS 64 CO 0.00 -0.20 -0.20 0.08 -0.36 0.00 0.00 175.35 174.67 2jqi s VAL 65 N 1.47 1.57 -0.11 4.02 1.01 -1.26 -1.38 120.40 125.73 2jqi s VAL 65 Ca -0.02 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 2jqi s VAL 65 Cb -0.13 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 2jqi s VAL 65 CO -0.03 0.45 0.07 0.26 0.00 0.00 0.00 175.10 175.84 2jqi s TRP 66 N -0.36 3.36 -0.16 5.22 0.51 0.45 -4.89 118.94 123.07 2jqi s TRP 66 Ca 0.05 0.33 -0.01 0.00 -2.12 0.00 0.00 56.10 54.35 2jqi s TRP 66 Cb -0.09 -1.88 -0.01 0.00 -0.81 0.00 0.00 33.47 30.69 2jqi s TRP 66 CO -0.00 0.56 -0.13 0.99 -0.51 0.00 0.00 176.95 177.86 2jqi s THR 67 N -0.83 2.91 0.02 2.01 2.01 -1.26 0.17 115.64 120.66 2jqi s THR 67 Ca 0.13 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.46 2jqi s THR 67 Cb -0.12 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 2jqi s THR 67 CO 0.03 0.51 0.01 -0.36 -0.69 0.00 0.00 174.62 174.11 2jqi s PHE 68 N 0.75 3.09 -3.22 4.92 0.40 0.51 0.10 117.98 124.52 2jqi s PHE 68 Ca -0.05 0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.35 2jqi s PHE 68 Cb -0.15 -1.65 0.00 0.00 0.51 0.00 0.00 43.02 41.72 2jqi s PHE 68 CO 0.01 0.47 0.00 0.41 0.70 0.00 0.00 175.22 176.82 2jqi n GLY 69 N 1.21 -1.82 0.04 4.36 0.00 -0.85 0.14 105.19 108.26 2jqi n GLY 69 Ca -0.14 -1.15 0.15 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.33 0.57 -3.01 1.61 1.74 -0.85 -1.06 116.66 115.33 2jqi n ARG 70 Ca 0.00 -0.07 -0.40 0.00 -0.77 0.00 0.00 57.85 56.61 2jqi n ARG 70 Cb 0.00 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 2jqi n ARG 70 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2jqi s ASN 71 N -2.48 7.27 0.00 0.55 2.47 -1.09 -4.70 114.94 116.96 2jqi s ASN 71 Ca 0.31 1.51 0.13 0.00 0.42 0.00 0.00 52.86 55.23 2jqi s ASN 71 Cb 0.20 -2.47 0.67 0.00 -1.45 0.00 0.00 41.25 38.20 2jqi s ASN 71 CO 0.46 0.12 1.36 -2.65 -3.72 0.00 0.00 177.10 172.66 2jqi n PRO 72 N 2.23 0.18 0.05 0.43 -0.02 -1.26 -2.09 135.00 134.51 2jqi n PRO 72 Ca -0.04 0.17 -0.22 0.00 -2.02 0.00 0.00 63.50 61.39 2jqi n PRO 72 Cb 0.50 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.33 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 2.62 0.02 -1.50 3.55 0.00 -1.94 -3.46 119.26 118.54 2jqi h ALA 73 Ca 0.00 -0.91 -0.65 0.00 0.00 0.00 0.00 54.91 53.35 2jqi h ALA 73 Cb 0.13 0.29 0.10 0.00 0.00 0.00 0.00 17.79 18.31 2jqi h ALA 73 CO 0.00 0.65 -0.06 0.00 0.00 0.00 0.00 179.25 179.84 2jqi h ASP 75 N 2.12 0.00 -3.18 0.00 1.82 0.35 -3.37 116.42 114.16 2jqi h ASP 75 Ca -0.38 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 55.74 2jqi h ASP 75 Cb 1.38 0.00 -0.37 0.00 0.68 0.00 0.00 39.33 41.02 2jqi h ASP 75 CO 0.62 0.00 -0.80 -0.47 -1.61 0.00 0.00 179.24 176.98 2jqi s TYR 76 N -3.93 1.49 -0.40 0.28 5.04 0.25 -4.88 117.35 115.20 2jqi s TYR 76 Ca -0.03 -0.75 -0.21 0.00 -2.44 0.00 0.00 57.07 53.64 2jqi s TYR 76 Cb 0.09 -1.24 0.01 0.00 0.35 0.00 0.00 41.96 41.18 2jqi s TYR 76 CO 0.29 -0.51 0.64 -1.58 -1.34 0.00 0.00 175.55 173.05 2jqi s HIS 77 N 1.69 3.10 0.00 4.97 2.46 -1.26 -2.01 115.29 124.24 2jqi s HIS 77 Ca 0.05 0.13 0.00 0.00 0.47 0.00 0.00 55.06 55.71 2jqi s HIS 77 Cb -0.13 -3.27 0.00 0.00 -0.13 0.00 0.00 32.58 29.06 2jqi s HIS 77 CO -0.08 -0.77 0.00 1.28 -2.47 0.00 0.00 174.74 172.70 2jqi n LEU 78 N 6.18 2.17 0.00 8.88 4.77 -0.22 -4.85 117.00 133.93 2jqi n LEU 78 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2jqi n LEU 78 Cb 0.48 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2jqi n LEU 78 CO 0.52 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2jqi n GLY 79 N 2.50 0.03 2.53 -0.72 0.00 -1.26 -4.76 105.19 103.50 2jqi n GLY 79 Ca 0.00 0.51 -0.04 0.00 0.00 0.00 0.00 46.02 46.49 2jqi n GLY 79 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jqi n ASN 80 N 0.00 -1.37 -4.66 1.61 0.23 -1.26 -4.70 115.26 105.11 2jqi n ASN 80 Ca 0.00 -2.02 -0.42 0.00 -0.53 0.00 0.00 54.58 51.61 2jqi n ASN 80 Cb 0.00 0.80 -0.04 0.00 -2.08 0.00 0.00 39.78 38.46 2jqi n ASN 80 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2jqi s ILE 81 N 0.12 4.85 0.54 1.53 1.01 -1.26 -4.92 121.20 123.06 2jqi s ILE 81 Ca 0.11 1.64 0.26 0.00 0.00 0.00 0.00 60.65 62.66 2jqi s ILE 81 Cb 0.28 -4.14 0.39 0.00 0.01 0.00 0.00 42.46 39.01 2jqi s ILE 81 CO -0.07 -0.02 2.00 0.28 0.00 0.00 0.00 174.94 177.13 2jqi h SER 82 N 7.45 0.00 -0.07 3.58 0.02 -2.01 -1.30 113.55 121.22 2jqi h SER 82 Ca -0.27 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 2jqi h SER 82 Cb 1.11 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 2jqi h SER 82 CO 0.86 0.00 0.01 -0.09 -1.14 0.00 0.00 176.83 176.47 2jqi h ARG 83 N 0.00 0.11 -7.08 3.45 9.65 -1.93 -3.44 114.38 115.15 2jqi h ARG 83 Ca 0.24 -0.03 -0.48 0.00 -1.10 0.00 0.00 59.98 58.61 2jqi h ARG 83 Cb 0.99 -0.01 0.04 0.00 -1.39 0.00 0.00 29.97 29.60 2jqi h ARG 83 CO -0.00 0.32 0.40 -0.51 2.80 0.00 0.00 179.97 182.98 2jqi s LEU 84 N -9.69 3.81 0.44 3.80 1.43 -0.49 -4.71 118.68 113.28 2jqi s LEU 84 Ca -0.14 2.03 0.02 0.00 -1.03 0.00 0.00 54.13 55.01 2jqi s LEU 84 Cb 0.05 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.71 2jqi s LEU 84 CO 0.69 -0.95 0.64 -0.94 0.23 0.00 0.00 176.35 176.02 2jqi s SER 85 N -1.89 5.75 0.22 2.29 1.04 -1.26 -4.79 113.70 115.05 2jqi s SER 85 Ca 0.69 0.10 -0.18 0.00 0.48 0.00 0.00 55.95 57.04 2jqi s SER 85 Cb -0.19 -1.30 0.22 0.00 0.10 0.00 0.00 66.02 64.84 2jqi s SER 85 CO 0.23 -0.73 1.57 0.78 0.98 0.00 0.00 173.24 176.06 2jqi h ASN 86 N 0.45 -1.27 -3.39 7.02 -0.26 -1.93 -2.66 115.58 113.54 2jqi h ASN 86 Ca -0.45 0.28 -0.62 0.00 -0.56 0.00 0.00 56.30 54.94 2jqi h ASN 86 Cb 1.26 0.67 -0.42 0.00 -1.06 0.00 0.00 38.32 38.78 2jqi h ASN 86 CO 0.55 -0.29 -0.60 -0.54 -1.06 0.00 0.00 177.43 175.48 2jqi s LYS 87 N -6.00 2.28 0.15 0.81 1.02 -1.26 -2.01 119.74 114.73 2jqi s LYS 87 Ca -0.14 -3.12 -0.17 0.00 0.02 0.00 0.00 55.97 52.56 2jqi s LYS 87 Cb 0.19 -3.32 -0.00 0.00 -0.52 0.00 0.00 37.83 34.18 2jqi s LYS 87 CO 0.71 -1.25 1.79 1.25 -0.92 0.00 0.00 175.35 176.94 2jqi h HIS 88 N 5.69 0.48 -3.63 3.18 2.76 0.16 -3.35 115.15 120.42 2jqi h HIS 88 Ca 0.09 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.18 2jqi h HIS 88 Cb 0.79 -0.16 -0.15 0.00 1.55 0.00 0.00 27.41 29.45 2jqi h HIS 88 CO 0.63 0.32 -0.30 -0.59 -1.30 0.00 0.00 177.93 176.69 2jqi s PHE 89 N -6.08 0.04 0.00 5.26 -0.71 -0.84 0.16 117.98 115.81 2jqi s PHE 89 Ca -0.13 -0.39 0.02 0.00 -1.04 0.00 0.00 56.93 55.39 2jqi s PHE 89 Cb 0.10 0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.93 2jqi s PHE 89 CO 0.72 -0.55 -0.06 -1.14 -1.34 0.00 0.00 175.22 172.86 2jqi s GLN 90 N -3.51 0.43 -0.15 1.99 0.74 0.39 0.19 119.66 119.74 2jqi s GLN 90 Ca 0.02 -0.26 -0.01 0.00 0.05 0.00 0.00 55.36 55.16 2jqi s GLN 90 Cb 0.03 -0.39 -0.01 0.00 1.10 0.00 0.00 33.01 33.74 2jqi s GLN 90 CO -0.09 0.10 -0.12 0.42 -0.55 0.00 0.00 175.29 175.05 2jqi s ILE 91 N -0.28 3.02 0.03 -2.34 1.09 0.44 0.19 121.20 123.35 2jqi s ILE 91 Ca 0.00 -0.66 0.05 0.00 -1.10 0.00 0.00 60.65 58.95 2jqi s ILE 91 Cb -0.03 -2.29 -0.03 0.00 -1.06 0.00 0.00 42.46 39.05 2jqi s ILE 91 CO -0.00 0.51 -0.12 -0.76 -0.10 0.00 0.00 174.94 174.47 2jqi s LEU 92 N 0.64 2.93 -0.12 2.97 1.02 0.15 0.17 118.68 126.43 2jqi s LEU 92 Ca -0.07 -0.28 0.01 0.00 0.02 0.00 0.00 54.13 53.81 2jqi s LEU 92 Cb -0.15 -1.70 0.02 0.00 0.02 0.00 0.00 46.19 44.37 2jqi s LEU 92 CO 0.03 0.26 -0.14 -0.22 0.02 0.00 0.00 176.35 176.29 2jqi s LEU 93 N -1.50 1.68 0.00 1.79 2.96 -0.48 0.76 118.68 123.89 2jqi s LEU 93 Ca 0.17 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 2jqi s LEU 93 Cb -0.11 -1.11 0.00 0.00 0.50 0.00 0.00 46.19 45.47 2jqi s LEU 93 CO 0.07 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.69 2jqi n GLY 94 N 4.47 3.46 0.00 7.98 0.00 -1.24 -1.33 105.19 118.53 2jqi n GLY 94 Ca -0.18 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.26 -4.11 120.64 120.95 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 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2jqi n GLU 95 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2jqi n ASP 96 N -0.61 0.00 0.00 4.31 8.00 -1.26 -5.03 116.55 121.96 2jqi n ASP 96 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2jqi n ASP 96 Cb 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 2jqi n ASP 96 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jqi n GLY 97 N -1.16 0.00 1.95 0.44 0.00 -1.26 -5.15 105.19 100.01 2jqi n GLY 97 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.12 -4.79 1.61 3.02 -1.26 -4.98 115.26 107.75 2jqi n ASN 98 Ca 0.00 -1.88 -0.23 0.00 -0.03 0.00 0.00 54.58 52.44 2jqi n ASN 98 Cb 0.00 1.89 -0.05 0.00 -0.61 0.00 0.00 39.78 41.01 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 3.71 0.02 3.41 0.20 -1.26 -3.60 118.68 121.15 2jqi s LEU 99 Ca 0.10 -0.28 0.03 0.00 0.69 0.00 0.00 54.13 54.67 2jqi s LEU 99 Cb -0.02 -2.27 -0.01 0.00 -0.43 0.00 0.00 46.19 43.46 2jqi s LEU 99 CO 0.07 0.00 -0.10 -0.76 -0.29 0.00 0.00 176.35 175.28 2jqi s LEU 100 N -3.59 2.11 -0.19 -0.68 1.43 0.23 -1.97 118.68 116.02 2jqi s LEU 100 Ca 0.32 -0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 53.08 2jqi s LEU 100 Cb -0.08 -0.43 -0.01 0.00 0.03 0.00 0.00 46.19 45.70 2jqi s LEU 100 CO 0.24 0.02 -0.07 -0.76 0.23 0.00 0.00 176.35 176.01 2jqi s LEU 101 N -0.73 2.84 -0.24 1.79 1.43 -0.32 0.31 118.68 123.76 2jqi s LEU 101 Ca 0.00 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.71 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 0.04 -0.06 0.21 0.23 0.00 0.00 176.35 176.77 2jqi s ASN 102 N 1.13 4.29 0.23 2.29 2.47 0.51 -2.20 114.94 123.67 2jqi s ASN 102 Ca 0.01 -0.82 -0.30 0.00 0.42 0.00 0.00 52.86 52.17 2jqi s ASN 102 Cb -0.14 -1.67 -0.09 0.00 -1.45 0.00 0.00 41.25 37.90 2jqi s ASN 102 CO -0.01 -0.12 1.01 1.51 -3.72 0.00 0.00 177.10 175.77 2jqi s ASP 103 N 1.34 7.47 -0.24 -4.21 1.47 -1.25 0.15 116.67 121.40 2jqi s ASP 103 Ca 0.01 2.05 0.18 0.00 1.18 0.00 0.00 52.55 55.97 2jqi s ASP 103 Cb -0.16 -2.61 0.43 0.00 -0.34 0.00 0.00 42.92 40.23 2jqi s ASP 103 CO -0.04 -0.00 1.26 2.30 0.68 0.00 0.00 175.17 179.36 2jqi n ILE 104 N 1.64 0.60 -3.72 2.11 -5.35 -0.75 0.22 119.36 114.12 2jqi n ILE 104 Ca -0.01 -1.83 -0.24 0.00 -0.27 0.00 0.00 62.75 60.40 2jqi n ILE 104 Cb 0.46 1.11 -0.02 0.00 -1.74 0.00 0.00 39.64 39.45 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 -2.47 6.34 0.27 7.28 0.01 0.42 -4.17 113.70 121.37 2jqi s SER 105 Ca 0.19 0.29 0.03 0.00 1.31 0.00 0.00 55.95 57.78 2jqi s SER 105 Cb 0.35 -1.96 0.36 0.00 0.21 0.00 0.00 66.02 64.98 2jqi s SER 105 CO -0.08 -0.11 1.66 0.74 0.41 0.00 0.00 173.24 175.86 2jqi h THR 106 N 1.22 1.30 0.00 1.44 2.02 -1.88 -3.21 112.91 113.81 2jqi h THR 106 Ca -0.50 -1.53 0.00 0.00 0.77 0.00 0.00 66.41 65.15 2jqi h THR 106 Cb 1.21 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 2jqi h THR 106 CO 0.64 0.47 -1.83 -0.46 0.37 0.00 0.00 175.52 174.70 2jqi n ASN 107 N -4.03 0.14 0.00 4.18 0.23 -1.26 -5.09 115.26 109.43 2jqi n ASN 107 Ca -0.01 0.05 0.00 0.00 -0.53 0.00 0.00 54.58 54.08 2jqi n ASN 107 Cb 0.49 1.75 0.00 0.00 -2.08 0.00 0.00 39.78 39.93 2jqi n ASN 107 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jqi n GLY 108 N 1.25 3.21 3.36 4.83 0.00 -1.21 -4.88 105.19 111.75 2jqi n GLY 108 Ca -0.03 -1.98 -0.32 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.98 2.49 0.08 2.61 2.01 -1.26 -4.32 115.64 114.27 2jqi s THR 109 Ca 0.00 -0.93 0.07 0.00 0.31 0.00 0.00 61.69 61.15 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 -0.14 0.26 -0.69 0.00 0.00 174.62 174.63 2jqi s TRP 110 N -0.44 2.65 -0.21 4.92 0.51 0.40 -2.52 118.94 124.25 2jqi s TRP 110 Ca 0.05 -0.20 0.01 0.00 -2.12 0.00 0.00 56.10 53.84 2jqi s TRP 110 Cb -0.12 -1.43 0.05 0.00 -0.81 0.00 0.00 33.47 31.16 2jqi s TRP 110 CO 0.01 0.37 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.56 2jqi s LEU 111 N -1.94 2.41 -1.68 2.99 2.96 0.11 0.12 118.68 123.65 2jqi s LEU 111 Ca 0.18 -0.97 -0.14 0.00 -0.22 0.00 0.00 54.13 52.98 2jqi s LEU 111 Cb -0.11 -1.25 0.13 0.00 0.50 0.00 0.00 46.19 45.46 2jqi s LEU 111 CO 0.10 -0.16 0.56 0.59 -1.32 0.00 0.00 176.35 176.11 2jqi n ASN 112 N 4.66 -1.77 0.00 3.68 3.02 -1.02 0.93 115.26 124.77 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 -2.34 0.00 0.00 -0.61 0.00 0.00 39.78 37.29 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 -1.60 1.86 3.47 7.41 0.00 -1.26 -5.01 105.19 110.05 2jqi n GLY 113 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 2jqi n GLY 113 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jqi s GLN 114 N -0.37 3.60 -0.08 1.61 2.00 0.27 -5.06 119.66 121.62 2jqi s GLN 114 Ca 0.00 -0.53 -0.30 0.00 -2.00 0.00 0.00 55.36 52.53 2jqi s GLN 114 Cb 0.00 -3.46 -0.03 0.00 0.80 0.00 0.00 33.01 30.32 2jqi s GLN 114 CO 0.00 -0.26 1.31 0.21 -0.50 0.00 0.00 175.29 176.04 2jqi s LYS 115 N 1.64 4.28 0.44 1.67 2.47 -1.26 0.10 119.74 129.07 2jqi s LYS 115 Ca 0.06 1.78 0.01 0.00 -1.56 0.00 0.00 55.97 56.25 2jqi s LYS 115 Cb -0.16 -3.67 -0.01 0.00 -1.46 0.00 0.00 37.83 32.53 2jqi s LYS 115 CO 0.06 -0.60 0.66 0.14 0.16 0.00 0.00 175.35 175.76 2jqi s VAL 116 N 2.88 4.05 -0.01 4.02 -7.23 -1.05 -4.95 120.40 118.12 2jqi s VAL 116 Ca 0.59 -0.51 -0.30 0.00 -1.81 0.00 0.00 61.98 59.94 2jqi s VAL 116 Cb -0.26 -3.49 -0.05 0.00 0.56 0.00 0.00 36.38 33.13 2jqi s VAL 116 CO 0.21 -0.34 1.45 -1.83 -0.31 0.00 0.00 175.10 174.28 2jqi s GLU 117 N -4.53 4.26 0.97 4.82 1.03 -1.26 -4.65 118.70 119.35 2jqi s GLU 117 Ca 0.48 2.01 -0.14 0.00 0.03 0.00 0.00 54.97 57.35 2jqi s GLU 117 Cb -0.10 -3.65 0.04 0.00 -0.80 0.00 0.00 34.13 29.62 2jqi s GLU 117 CO 0.38 -0.64 0.30 1.17 -1.33 0.00 0.00 175.26 175.14 2jqi n LYS 118 N 5.73 -0.45 -2.58 -4.83 4.81 -1.26 -2.26 118.16 117.31 2jqi n LYS 118 Ca 0.14 -0.10 -0.09 0.00 -0.87 0.00 0.00 58.31 57.39 2jqi n LYS 118 Cb 0.43 -1.80 -0.02 0.00 0.02 0.00 0.00 35.03 33.66 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 -1.18 -0.96 -4.55 3.14 0.23 0.61 -4.86 115.26 107.68 2jqi n ASN 119 Ca 0.06 0.00 -0.31 0.00 -0.53 0.00 0.00 54.58 53.79 2jqi n ASN 119 Cb 0.55 -0.91 -0.11 0.00 -2.08 0.00 0.00 39.78 37.23 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 -1.90 4.36 -0.05 0.53 0.15 -0.96 -4.91 113.70 110.92 2jqi s SER 120 Ca 0.19 -0.25 -0.23 0.00 0.70 0.00 0.00 55.95 56.36 2jqi s SER 120 Cb -0.11 -0.92 -0.04 0.00 -1.71 0.00 0.00 66.02 63.24 2jqi s SER 120 CO 0.23 0.26 0.67 0.20 1.20 0.00 0.00 173.24 175.80 2jqi s ASN 121 N -1.51 6.97 0.08 5.45 -0.87 -1.26 -3.82 114.94 119.97 2jqi s ASN 121 Ca 0.17 1.16 0.06 0.00 -1.57 0.00 0.00 52.86 52.68 2jqi s ASN 121 Cb -0.11 -2.40 -0.03 0.00 -0.02 0.00 0.00 41.25 38.69 2jqi s ASN 121 CO 0.08 -0.06 -0.16 -1.10 -2.57 0.00 0.00 177.10 173.28 2jqi s GLN 122 N 0.58 0.90 0.15 -0.60 -1.52 -0.93 -4.92 119.66 113.31 2jqi s GLN 122 Ca 0.35 -1.01 -0.30 0.00 -1.95 0.00 0.00 55.36 52.45 2jqi s GLN 122 Cb -0.18 -0.98 -0.07 0.00 -0.22 0.00 0.00 33.01 31.56 2jqi s GLN 122 CO 0.17 0.22 1.22 -1.17 -0.25 0.00 0.00 175.29 175.49 2jqi s LEU 123 N -1.78 4.42 0.74 2.90 2.96 -1.26 -1.17 118.68 125.47 2jqi s LEU 123 Ca 0.00 2.19 -0.14 0.00 -0.22 0.00 0.00 54.13 55.96 2jqi s LEU 123 Cb -0.10 -3.60 0.04 0.00 0.50 0.00 0.00 46.19 43.04 2jqi s LEU 123 CO 0.03 -0.43 1.16 -0.22 -1.32 0.00 0.00 176.35 175.57 2jqi s LEU 124 N 0.25 3.26 0.14 -0.68 2.96 -0.83 -4.85 118.68 118.92 2jqi s LEU 124 Ca 0.56 2.20 0.08 0.00 -0.22 0.00 0.00 54.13 56.75 2jqi s LEU 124 Cb -0.32 -4.57 -0.04 0.00 0.50 0.00 0.00 46.19 41.76 2jqi s LEU 124 CO 0.34 -2.18 -0.20 -0.44 -1.32 0.00 0.00 176.35 172.56 2jqi s SER 125 N -2.36 2.65 -0.04 3.68 0.01 -1.26 -4.97 113.70 111.42 2jqi s SER 125 Ca 0.70 -0.79 -0.30 0.00 1.31 0.00 0.00 55.95 56.88 2jqi s SER 125 Cb -0.25 -0.15 -0.05 0.00 0.21 0.00 0.00 66.02 65.78 2jqi s SER 125 CO 0.47 0.01 1.37 -1.10 0.41 0.00 0.00 173.24 174.39 2jqi s GLN 126 N -2.41 4.28 -1.80 12.44 -1.52 -1.26 -2.63 119.66 126.76 2jqi s GLN 126 Ca 0.12 1.89 0.00 0.00 -1.95 0.00 0.00 55.36 55.42 2jqi s GLN 126 Cb -0.08 -3.63 0.00 0.00 -0.22 0.00 0.00 33.01 29.08 2jqi s GLN 126 CO 0.06 -0.59 0.00 0.41 -0.25 0.00 0.00 175.29 174.91 2jqi n GLY 127 N 3.63 1.11 3.24 3.09 0.00 -0.87 -4.93 105.19 110.47 2jqi n GLY 127 Ca 0.13 0.00 -0.29 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 -1.28 -2.56 -3.78 1.61 2.03 -1.06 -4.44 116.55 107.07 2jqi n ASP 128 Ca -0.19 -0.24 -0.13 0.00 0.52 0.00 0.00 54.79 54.76 2jqi n ASP 128 Cb 0.61 -0.95 -0.13 0.00 -0.72 0.00 0.00 41.12 39.93 2jqi n ASP 128 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2jqi s GLU 129 N -3.65 0.19 -0.17 -0.67 2.02 -1.26 0.65 118.70 115.81 2jqi s GLU 129 Ca 0.55 0.34 -0.01 0.00 0.02 0.00 0.00 54.97 55.86 2jqi s GLU 129 Cb -0.12 -0.00 -0.01 0.00 0.10 0.00 0.00 34.13 34.10 2jqi s GLU 129 CO 0.60 -0.08 -0.12 0.42 0.02 0.00 0.00 175.26 176.10 2jqi s ILE 130 N 0.57 2.94 -0.07 -1.63 1.01 0.26 -2.42 121.20 121.86 2jqi s ILE 130 Ca -0.04 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 59.92 2jqi s ILE 130 Cb -0.05 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 2jqi s ILE 130 CO -0.03 0.49 0.05 -0.89 0.00 0.00 0.00 174.94 174.57 2jqi s THR 131 N 0.90 4.68 0.05 2.92 2.01 0.32 0.80 115.64 127.31 2jqi s THR 131 Ca -0.03 -0.21 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 2jqi s THR 131 Cb -0.15 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 2jqi s THR 131 CO -0.01 0.53 -0.02 0.68 -0.69 0.00 0.00 174.62 175.12 2jqi s VAL 132 N -1.01 0.20 0.00 3.82 -7.23 0.25 0.15 120.40 116.59 2jqi s VAL 132 Ca 0.16 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 2jqi s VAL 132 Cb -0.12 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.47 2jqi s VAL 132 CO 0.06 -0.92 0.00 0.61 -0.31 0.00 0.00 175.10 174.54 2jqi n GLY 133 N 0.29 0.78 3.78 2.32 0.00 -1.26 0.13 105.19 111.23 2jqi n GLY 133 Ca -0.15 -0.60 -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 -2.98 4.39 0.00 1.61 1.01 -1.26 -2.57 120.40 120.59 2jqi s VAL 134 Ca 0.00 1.67 0.00 0.00 0.00 0.00 0.00 61.98 63.65 2jqi s VAL 134 Cb 0.00 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.27 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 1.52 3.99 2.97 4.51 0.00 -1.26 -5.01 105.19 111.93 2jqi n GLY 135 Ca -0.05 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 2jqi n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jqi s VAL 136 N 0.00 1.37 0.58 1.61 1.01 -1.26 -5.00 120.40 118.71 2jqi s VAL 136 Ca 0.00 -0.53 0.29 0.00 0.00 0.00 0.00 61.98 61.75 2jqi s VAL 136 Cb 0.00 -1.33 0.41 0.00 0.00 0.00 0.00 36.38 35.46 2jqi s VAL 136 CO 0.00 0.41 1.82 -0.08 0.00 0.00 0.00 175.10 177.24 2jqi h GLU 137 N 8.10 0.00 -0.33 2.72 4.81 -1.98 0.83 114.58 128.72 2jqi h GLU 137 Ca -0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2jqi h GLU 137 Cb 1.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.51 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 -3.73 2.45 -0.66 1.04 7.64 -1.26 -4.17 113.62 114.93 2jqi n SER 138 Ca 0.12 -1.89 0.05 0.00 1.01 0.00 0.00 58.87 58.17 2jqi n SER 138 Cb 0.85 -0.22 0.11 0.00 -1.01 0.00 0.00 64.21 63.93 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 1.37 -4.66 6.43 8.00 0.29 -5.04 116.55 123.77 2jqi n ASP 139 Ca 0.17 -2.87 -0.35 0.00 0.71 0.00 0.00 54.79 52.45 2jqi n ASP 139 Cb 0.43 -0.38 -0.10 0.00 -0.02 0.00 0.00 41.12 41.05 2jqi n ASP 139 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jqi s ILE 140 N -1.74 4.26 -0.05 0.53 1.01 -1.06 -4.22 121.20 119.93 2jqi s ILE 140 Ca 0.28 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.71 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 -0.05 0.59 -0.19 -0.22 0.00 0.00 0.00 174.94 175.07 2jqi s LEU 141 N -0.73 1.94 0.10 2.97 2.96 0.35 -4.94 118.68 121.34 2jqi s LEU 141 Ca 0.11 -0.39 0.06 0.00 -0.22 0.00 0.00 54.13 53.68 2jqi s LEU 141 Cb -0.12 -1.07 -0.04 0.00 0.50 0.00 0.00 46.19 45.46 2jqi s LEU 141 CO 0.02 0.16 -0.03 -0.55 -1.32 0.00 0.00 176.35 174.64 2jqi s SER 142 N 0.06 4.85 0.07 3.68 0.15 -1.26 0.88 113.70 122.13 2jqi s SER 142 Ca -0.06 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.37 2jqi s SER 142 Cb -0.13 -1.09 -0.03 0.00 -1.71 0.00 0.00 66.02 63.06 2jqi s SER 142 CO 0.03 0.17 -0.08 -0.76 1.20 0.00 0.00 173.24 173.80 2jqi s LEU 143 N -2.34 2.36 -0.03 3.45 1.43 0.24 -3.46 118.68 120.33 2jqi s LEU 143 Ca 0.25 -0.74 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 2jqi s LEU 143 Cb -0.11 -0.17 -0.01 0.00 0.03 0.00 0.00 46.19 45.93 2jqi s LEU 143 CO 0.17 -0.29 -0.18 -0.69 0.23 0.00 0.00 176.35 175.59 2jqi s VAL 144 N -2.27 1.42 -0.24 -1.59 1.01 0.41 0.93 120.40 120.07 2jqi s VAL 144 Ca -0.00 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 2jqi s VAL 144 Cb -0.04 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 2jqi s VAL 144 CO -0.01 0.41 0.06 -0.63 0.00 0.00 0.00 175.10 174.93 2jqi s ILE 145 N -0.22 4.29 -0.31 2.22 -1.09 0.21 0.10 121.20 126.40 2jqi s ILE 145 Ca 0.02 -0.18 -0.06 0.00 -2.23 0.00 0.00 60.65 58.20 2jqi s ILE 145 Cb -0.09 -3.00 0.02 0.00 -1.58 0.00 0.00 42.46 37.82 2jqi s ILE 145 CO 0.01 0.35 0.08 -0.36 -1.23 0.00 0.00 174.94 173.79 2jqi s PHE 146 N 1.50 3.19 0.01 3.97 0.40 0.36 -2.05 117.98 125.36 2jqi s PHE 146 Ca 0.06 -1.21 -0.24 0.00 -0.60 0.00 0.00 56.93 54.94 2jqi s PHE 146 Cb -0.15 -2.25 -0.05 0.00 0.51 0.00 0.00 43.02 41.08 2jqi s PHE 146 CO 0.03 -0.65 0.72 0.42 0.70 0.00 0.00 175.22 176.43 2jqi s ILE 147 N 1.44 4.84 0.15 0.64 1.01 -1.26 0.11 121.20 128.12 2jqi s ILE 147 Ca 0.01 1.51 -0.30 0.00 0.00 0.00 0.00 60.65 61.86 2jqi s ILE 147 Cb -0.18 -4.06 -0.07 0.00 0.01 0.00 0.00 42.46 38.16 2jqi s ILE 147 CO 0.02 0.35 1.04 0.21 0.00 0.00 0.00 174.94 176.56 2jqi s ASN 148 N 0.09 7.37 0.29 3.58 3.84 -1.23 -4.95 114.94 123.93 2jqi s ASN 148 Ca 0.37 1.96 0.06 0.00 0.21 0.00 0.00 52.86 55.46 2jqi s ASN 148 Cb -0.19 -2.60 0.43 0.00 -0.55 0.00 0.00 41.25 38.34 2jqi s ASN 148 CO 0.21 -0.15 1.68 0.44 -2.79 0.00 0.00 177.10 176.49 2jqi h ASP 149 N 5.34 0.26 -0.40 -4.21 3.32 -1.94 -3.08 116.42 115.72 2jqi h ASP 149 Ca -0.44 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.50 2jqi h ASP 149 Cb 1.21 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 2jqi h ASP 149 CO 0.72 0.66 0.25 0.50 -1.72 0.00 0.00 179.24 179.66 2jqi h LYS 150 N 0.21 0.53 -0.62 3.56 3.11 -1.94 -0.82 116.57 120.60 2jqi h LYS 150 Ca 0.02 -0.04 0.01 0.00 -2.81 0.00 0.00 60.65 57.83 2jqi h LYS 150 Cb 0.85 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.93 2jqi h LYS 150 CO 0.07 0.36 0.40 0.35 -2.81 0.00 0.00 179.45 177.82 2jqi h PHE 151 N 0.53 0.76 -0.32 1.91 3.04 -1.84 -1.40 116.94 119.62 2jqi h PHE 151 Ca 0.14 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.09 2jqi h PHE 151 Cb -0.04 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.20 2jqi h PHE 151 CO -0.04 0.46 0.11 -0.22 -2.02 0.00 0.00 178.31 176.60 2jqi h LYS 152 N 0.81 0.49 -0.32 1.11 1.63 -1.40 0.14 116.57 119.03 2jqi h LYS 152 Ca 0.23 -0.10 0.02 0.00 -0.85 0.00 0.00 60.65 59.95 2jqi h LYS 152 Cb -0.06 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.47 2jqi h LYS 152 CO -0.06 0.52 0.18 1.96 -3.45 0.00 0.00 179.45 178.59 2jqi h GLN 153 N 0.36 0.36 -0.21 1.90 1.08 -0.88 0.23 115.11 117.95 2jqi h GLN 153 Ca 0.10 -0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.23 2jqi h GLN 153 Cb 0.22 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2jqi h GLN 153 CO -0.01 0.24 -0.07 0.00 -0.95 0.00 0.00 178.83 178.04 2jqi h LEU 155 N 0.13 0.68 -0.73 0.00 7.12 -0.52 0.62 115.31 122.60 2jqi h LEU 155 Ca 0.05 -0.04 0.02 0.00 0.13 0.00 0.00 57.88 58.04 2jqi h LEU 155 Cb 0.53 -0.17 -0.04 0.00 -0.53 0.00 0.00 40.66 40.45 2jqi h LEU 155 CO 0.02 0.53 0.47 -0.08 -0.13 0.00 0.00 178.44 179.26 2jqi h GLU 156 N 0.78 0.92 0.00 1.25 4.57 -0.42 -2.70 114.58 118.98 2jqi h GLU 156 Ca 0.20 -0.06 -0.25 0.00 -1.18 0.00 0.00 59.36 58.08 2jqi h GLU 156 Cb -0.01 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 28.34 2jqi h GLU 156 CO -0.04 0.61 -1.34 1.96 -1.18 0.00 0.00 179.01 179.02 2jqi h GLN 157 N 0.95 0.01 0.00 1.92 1.08 -1.27 -3.47 115.11 114.32 2jqi h GLN 157 Ca 0.28 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 2jqi h GLN 157 Cb -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 2jqi h GLN 157 CO -0.09 0.77 0.00 0.27 -0.95 0.00 0.00 178.83 178.83 2jqi n ASN 158 N -3.21 0.00 -4.85 1.46 0.23 0.21 -4.43 115.26 104.66 2jqi n ASN 158 Ca -0.08 0.00 -0.32 0.00 -0.53 0.00 0.00 54.58 53.65 2jqi n ASN 158 Cb 0.99 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.64 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 3.97 -0.18 -3.83 1.02 -1.26 -4.98 119.74 114.49 2jqi s LYS 159 Ca 0.00 0.73 -0.11 0.00 0.02 0.00 0.00 55.97 56.61 2jqi s LYS 159 Cb 0.00 -2.34 -0.05 0.00 -0.52 0.00 0.00 37.83 34.92 2jqi s LYS 159 CO 0.00 0.02 0.18 0.08 -0.92 0.00 0.00 175.35 174.70 2jqi s VAL 160 N -2.21 5.39 0.24 3.17 1.01 -1.26 -5.10 120.40 121.64 2jqi s VAL 160 Ca 0.55 0.30 0.10 0.00 0.00 0.00 0.00 61.98 62.93 2jqi s VAL 160 Cb -0.10 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2jqi s VAL 160 CO 0.22 0.45 -0.07 -0.62 0.00 0.00 0.00 175.10 175.08 2jqi s ASP 161 N 0.20 4.25 -0.48 3.32 2.15 -1.26 -5.10 116.67 119.75 2jqi s ASP 161 Ca 0.11 -0.70 -0.16 0.00 0.43 0.00 0.00 52.55 52.23 2jqi s ASP 161 Cb -0.12 -0.69 0.07 0.00 -0.30 0.00 0.00 42.92 41.88 2jqi s ASP 161 CO 0.00 0.04 0.45 -0.13 -0.17 0.00 0.00 175.17 175.37 2jqi s ARG 162 N -3.35 3.01 0.03 4.34 1.81 -1.26 -5.06 118.95 118.47 2jqi s ARG 162 Ca 0.29 -1.30 -0.25 0.00 -1.72 0.00 0.00 55.73 52.75 2jqi s ARG 162 Cb -0.07 -4.14 -0.05 0.00 -0.45 0.00 0.00 34.95 30.24 2jqi s ARG 162 CO 0.17 -1.09 0.77 0.96 -0.68 0.00 0.00 175.30 175.44 2jqi s ILE 163 N 1.82 4.78 -2.55 1.52 -4.36 -1.26 -5.38 121.20 115.78 2jqi s ILE 163 Ca 0.06 1.64 0.28 0.00 -0.26 0.00 0.00 60.65 62.37 2jqi s ILE 163 Cb -0.24 -4.12 0.51 0.00 1.25 0.00 0.00 42.46 39.86 2jqi s ILE 163 CO 0.07 0.33 1.70 0.54 0.24 0.00 0.00 174.94 177.82