#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 -5.65 -0.07 0.00 -2.24 -1.26 -4.86 114.28 100.20 2jqi n THR 15 Ca 0.00 -0.66 -0.09 0.00 -2.27 0.00 0.00 64.05 61.03 2jqi n THR 15 Cb 0.00 -4.53 -0.02 0.00 -2.10 0.00 0.00 70.33 63.67 2jqi n THR 15 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2jqi h GLN 16 N -1.77 0.36 -0.26 -0.78 4.15 -2.06 -0.55 115.11 114.20 2jqi h GLN 16 Ca -0.61 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 58.66 2jqi h GLN 16 Cb 1.35 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.95 2jqi h GLN 16 CO 0.52 0.24 -0.36 -0.09 -1.93 0.00 0.00 178.83 177.21 2jqi h ARG 17 N 0.37 0.58 -0.51 1.69 2.43 -2.00 -3.04 114.38 113.89 2jqi h ARG 17 Ca 0.10 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2jqi h ARG 17 Cb -0.04 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2jqi h ARG 17 CO -0.02 0.85 0.32 0.35 -1.51 0.00 0.00 179.97 179.96 2jqi h PHE 18 N 0.49 0.66 -0.53 2.20 3.04 -1.82 -1.21 116.94 119.76 2jqi h PHE 18 Ca 0.05 0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.04 2jqi h PHE 18 Cb 0.85 -0.22 -0.04 0.00 2.56 0.00 0.00 35.95 39.10 2jqi h PHE 18 CO 0.03 0.44 0.30 1.25 -2.02 0.00 0.00 178.31 178.31 2jqi h LEU 19 N 0.68 0.46 -0.22 0.59 6.46 -1.01 0.57 115.31 122.86 2jqi h LEU 19 Ca 0.18 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 2jqi h LEU 19 Cb -0.04 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 2jqi h LEU 19 CO -0.04 0.32 0.08 0.40 -0.62 0.00 0.00 178.44 178.58 2jqi h ILE 20 N 0.58 1.18 -0.32 4.05 1.08 -1.38 -2.76 117.51 119.94 2jqi h ILE 20 Ca 0.23 -0.54 -0.02 0.00 -0.39 0.00 0.00 64.86 64.13 2jqi h ILE 20 Cb 0.08 1.13 -0.02 0.00 -3.07 0.00 0.00 36.82 34.94 2jqi h ILE 20 CO -0.13 0.17 0.10 -0.08 -0.69 0.00 0.00 178.15 177.53 2jqi h GLU 21 N 0.19 0.45 -0.43 2.37 4.81 -0.88 -2.59 114.58 118.49 2jqi h GLU 21 Ca 0.07 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.30 2jqi h GLU 21 Cb 0.20 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.44 2jqi h GLU 21 CO -0.00 0.40 0.15 -0.22 -0.73 0.00 0.00 179.01 178.60 2jqi h LYS 22 N 0.45 0.31 -0.07 1.92 3.64 -0.58 0.50 116.57 122.72 2jqi h LYS 22 Ca 0.11 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2jqi h LYS 22 Cb 0.13 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2jqi h LYS 22 CO -0.01 0.20 -0.18 0.27 -2.27 0.00 0.00 179.45 177.47 2jqi h PHE 23 N 0.32 0.32 -0.36 1.91 -5.15 -1.48 -3.28 116.94 109.21 2jqi h PHE 23 Ca 0.20 -0.12 0.03 0.00 -0.20 0.00 0.00 57.97 57.88 2jqi h PHE 23 Cb 0.19 -0.06 -0.03 0.00 0.22 0.00 0.00 35.95 36.27 2jqi h PHE 23 CO -0.15 0.78 0.17 1.03 -2.00 0.00 0.00 178.31 178.14 2jqi h SER 24 N -0.23 0.24 -4.55 -0.68 0.87 -1.27 -3.43 113.55 104.48 2jqi h SER 24 Ca -0.00 0.02 -0.35 0.00 -1.23 0.00 0.00 61.79 60.23 2jqi h SER 24 Cb 0.78 -0.02 0.09 0.00 -0.44 0.00 0.00 62.40 62.80 2jqi h SER 24 CO 0.04 0.18 0.16 0.00 -0.53 0.00 0.00 176.83 176.68 2jqi n GLN 25 N -4.95 -0.26 -3.24 2.24 6.02 0.17 -5.09 117.38 112.26 2jqi n GLN 25 Ca 0.01 -1.95 -0.26 0.00 -0.01 0.00 0.00 57.00 54.78 2jqi n GLN 25 Cb 0.10 -0.68 -0.02 0.00 1.02 0.00 0.00 30.24 30.66 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 -4.72 3.55 0.30 -1.09 2.12 -1.26 -4.81 118.70 112.78 2jqi s GLU 26 Ca 0.53 -0.12 -0.29 0.00 0.36 0.00 0.00 54.97 55.45 2jqi s GLU 26 Cb -0.02 -2.61 -0.10 0.00 0.26 0.00 0.00 34.13 31.65 2jqi s GLU 26 CO 0.36 0.12 1.35 -0.65 -0.54 0.00 0.00 175.26 175.89 2jqi s GLN 27 N -4.10 4.33 0.16 4.30 -0.21 -1.26 -4.98 119.66 117.90 2jqi s GLN 27 Ca 0.43 2.23 -0.28 0.00 0.02 0.00 0.00 55.36 57.76 2jqi s GLN 27 Cb -0.10 -3.09 -0.08 0.00 1.00 0.00 0.00 33.01 30.74 2jqi s GLN 27 CO 0.35 -0.26 0.86 0.42 -2.12 0.00 0.00 175.29 174.54 2jqi s ILE 28 N -0.71 4.34 0.00 1.08 -1.09 -1.26 -4.73 121.20 118.84 2jqi s ILE 28 Ca 0.53 1.89 0.00 0.00 -2.23 0.00 0.00 60.65 60.83 2jqi s ILE 28 Cb -0.40 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.25 2jqi s ILE 28 CO 0.49 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 175.27 2jqi n GLY 29 N 1.78 0.00 0.19 6.18 0.00 -1.26 -5.06 105.19 107.03 2jqi n GLY 29 Ca -0.03 0.00 -0.18 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 0.00 0.65 0.00 1.61 4.57 -2.02 -3.43 114.58 115.96 2jqi h GLU 30 Ca 0.00 -0.65 0.00 0.00 -1.18 0.00 0.00 59.36 57.53 2jqi h GLU 30 Cb 0.00 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 2jqi h GLU 30 CO 0.00 1.25 0.00 0.09 -1.18 0.00 0.00 179.01 179.17 2jqi n ASN 31 N -3.85 0.00 -4.73 1.04 3.02 -1.26 -5.05 115.26 104.43 2jqi n ASN 31 Ca -0.09 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.05 2jqi n ASN 31 Cb 0.83 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.97 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 4.00 -0.13 2.41 -1.09 -1.26 -0.95 121.20 124.18 2jqi s ILE 32 Ca 0.00 1.60 -0.09 0.00 -2.23 0.00 0.00 60.65 59.93 2jqi s ILE 32 Cb 0.00 -4.02 -0.03 0.00 -1.58 0.00 0.00 42.46 36.83 2jqi s ILE 32 CO 0.00 0.22 -0.17 0.52 -1.23 0.00 0.00 174.94 174.28 2jqi n VAL 33 N 2.97 1.23 -3.77 2.92 0.31 0.28 -4.46 118.33 117.81 2jqi n VAL 33 Ca 0.05 0.25 -0.13 0.00 -0.01 0.00 0.00 64.34 64.50 2jqi n VAL 33 Cb 0.47 -2.27 -0.10 0.00 -0.91 0.00 0.00 33.84 31.03 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 -0.77 2.69 -0.25 0.00 3.52 0.21 -1.33 118.95 123.02 2jqi s ARG 35 Ca -0.09 -0.69 -0.10 0.00 -0.13 0.00 0.00 55.73 54.73 2jqi s ARG 35 Cb -0.04 -2.44 -0.05 0.00 -1.56 0.00 0.00 34.95 30.86 2jqi s ARG 35 CO 0.03 0.55 0.14 0.08 -0.81 0.00 0.00 175.30 175.29 2jqi s VAL 36 N -0.52 5.10 -0.11 7.11 1.01 -0.96 0.13 120.40 132.15 2jqi s VAL 36 Ca 0.07 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.16 2jqi s VAL 36 Cb -0.12 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.89 2jqi s VAL 36 CO 0.02 0.32 -0.17 -0.63 0.00 0.00 0.00 175.10 174.64 2jqi s ILE 37 N 1.32 1.64 -0.46 2.22 1.01 0.24 -2.20 121.20 124.98 2jqi s ILE 37 Ca 0.07 -0.74 -0.18 0.00 0.00 0.00 0.00 60.65 59.80 2jqi s ILE 37 Cb -0.15 -1.48 0.04 0.00 0.01 0.00 0.00 42.46 40.89 2jqi s ILE 37 CO 0.06 0.47 0.54 0.00 0.00 0.00 0.00 174.94 176.01 2jqi h THR 39 N 5.80 0.00 0.00 0.00 1.35 -1.91 -3.30 112.91 114.86 2jqi h THR 39 Ca -0.27 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.59 2jqi h THR 39 Cb 1.10 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 2jqi h THR 39 CO 0.88 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.50 2jqi n THR 40 N -2.76 0.00 -2.25 6.82 -2.24 -1.26 -4.95 114.28 107.65 2jqi n THR 40 Ca 0.01 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.76 2jqi n THR 40 Cb 0.55 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 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 1.11 -0.93 0.43 3.38 0.00 -1.24 -5.01 105.19 102.93 2jqi n GLY 41 Ca 0.20 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 -0.79 0.00 -4.42 1.61 6.02 -1.26 -5.12 117.38 113.41 2jqi n GLN 42 Ca 0.04 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.83 2jqi n GLN 42 Cb 0.34 -0.26 -0.14 0.00 1.02 0.00 0.00 30.24 31.20 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 -1.21 0.95 0.42 5.09 1.01 -1.26 -4.93 121.20 121.26 2jqi s ILE 43 Ca 0.00 -0.69 -0.24 0.00 0.00 0.00 0.00 60.65 59.72 2jqi s ILE 43 Cb 0.00 -0.83 -0.08 0.00 0.01 0.00 0.00 42.46 41.56 2jqi s ILE 43 CO 0.00 0.13 1.10 -2.16 0.00 0.00 0.00 174.94 174.01 2jqi s PRO 44 N -0.64 4.02 0.59 2.79 0.04 -1.26 -4.08 135.00 136.47 2jqi s PRO 44 Ca 0.03 1.62 -0.19 0.00 0.04 0.00 0.00 61.00 62.49 2jqi s PRO 44 Cb -0.06 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 2jqi s PRO 44 CO 0.00 -0.29 1.07 -0.89 0.04 0.00 0.00 177.00 176.93 2jqi n ILE 45 N -0.20 3.86 -3.95 0.56 5.41 -1.26 -4.84 119.36 118.93 2jqi n ILE 45 Ca 0.06 -0.50 -0.08 0.00 1.00 0.00 0.00 62.75 63.23 2jqi n ILE 45 Cb 0.49 -1.27 -0.08 0.00 -0.71 0.00 0.00 39.64 38.06 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 -2.83 0.73 -0.19 0.38 3.52 -0.93 -5.04 118.95 114.59 2jqi s ARG 46 Ca 0.76 -1.04 -0.00 0.00 -0.13 0.00 0.00 55.73 55.32 2jqi s ARG 46 Cb -0.42 0.28 0.01 0.00 -1.56 0.00 0.00 34.95 33.27 2jqi s ARG 46 CO 0.47 -0.20 -0.16 -0.51 -0.81 0.00 0.00 175.30 174.09 2jqi s ASP 47 N -2.81 3.42 -0.07 -2.12 1.01 -1.26 -2.27 116.67 112.57 2jqi s ASP 47 Ca 0.05 -0.61 -0.13 0.00 0.71 0.00 0.00 52.55 52.57 2jqi s ASP 47 Cb 0.05 -1.54 -0.05 0.00 1.01 0.00 0.00 42.92 42.40 2jqi s ASP 47 CO -0.10 -0.01 0.32 -0.76 0.21 0.00 0.00 175.17 174.83 2jqi s LEU 48 N 1.33 4.40 0.07 1.23 1.43 -0.44 -5.02 118.68 121.68 2jqi s LEU 48 Ca 0.05 0.74 -0.07 0.00 -1.03 0.00 0.00 54.13 53.81 2jqi s LEU 48 Cb -0.13 -2.41 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 2jqi s LEU 48 CO -0.11 0.29 0.15 -0.94 0.23 0.00 0.00 176.35 175.97 2jqi s SER 49 N -0.67 0.17 0.00 2.29 1.04 -1.26 -0.56 113.70 114.71 2jqi s SER 49 Ca 0.20 -0.65 -0.00 0.00 0.48 0.00 0.00 55.95 55.98 2jqi s SER 49 Cb -0.15 0.30 -0.00 0.00 0.10 0.00 0.00 66.02 66.27 2jqi s SER 49 CO 0.09 -0.66 -0.00 0.00 0.98 0.00 0.00 173.24 173.64 2jqi s ALA 50 N -3.56 0.02 0.13 5.32 0.00 -0.12 -4.80 121.76 118.75 2jqi s ALA 50 Ca 0.03 -0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.59 2jqi s ALA 50 Cb 0.04 0.03 -0.06 0.00 0.00 0.00 0.00 23.12 23.12 2jqi s ALA 50 CO -0.09 -0.03 1.07 -0.51 0.00 0.00 0.00 175.76 176.20 2jqi s ASP 51 N -0.26 7.31 0.16 0.00 1.01 -1.26 -4.67 116.67 118.95 2jqi s ASP 51 Ca -0.03 1.97 -0.12 0.00 0.71 0.00 0.00 52.55 55.08 2jqi s ASP 51 Cb -0.02 -2.59 0.05 0.00 1.01 0.00 0.00 42.92 41.37 2jqi s ASP 51 CO -0.00 -0.22 1.68 0.40 0.21 0.00 0.00 175.17 177.24 2jqi h ILE 52 N 4.00 1.24 -0.91 0.77 1.08 -1.97 -2.41 117.51 119.31 2jqi h ILE 52 Ca -0.43 -0.83 0.07 0.00 -0.39 0.00 0.00 64.86 63.28 2jqi h ILE 52 Cb 1.21 0.75 -0.06 0.00 -3.07 0.00 0.00 36.82 35.65 2jqi h ILE 52 CO 0.74 0.31 0.59 0.28 -0.69 0.00 0.00 178.15 179.38 2jqi h SER 53 N 0.76 0.90 -0.19 1.72 0.02 -1.98 0.19 113.55 114.96 2jqi h SER 53 Ca 0.17 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.01 2jqi h SER 53 Cb 0.31 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2jqi h SER 53 CO -0.00 0.56 -0.30 1.56 -1.14 0.00 0.00 176.83 177.51 2jqi h GLN 54 N 1.01 0.69 -0.28 3.45 1.08 -1.91 -0.48 115.11 118.67 2jqi h GLN 54 Ca 0.40 -0.31 -0.15 0.00 -1.45 0.00 0.00 58.65 57.15 2jqi h GLN 54 Cb 0.25 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2jqi h GLN 54 CO -0.16 0.90 -0.40 0.28 -0.95 0.00 0.00 178.83 178.51 2jqi h VAL 55 N 0.59 1.30 -0.04 -0.54 2.07 -0.64 0.42 116.25 119.39 2jqi h VAL 55 Ca 0.07 -1.59 -0.13 0.00 0.82 0.00 0.00 66.70 65.88 2jqi h VAL 55 Cb 0.81 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 2jqi h VAL 55 CO 0.07 0.51 -0.55 0.25 0.02 0.00 0.00 177.57 177.87 2jqi h LEU 56 N 0.51 0.15 0.00 2.57 6.46 -0.63 -3.26 115.31 121.12 2jqi h LEU 56 Ca 0.03 -0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 2jqi h LEU 56 Cb 0.99 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.88 2jqi h LEU 56 CO 0.09 0.67 -0.00 0.11 -0.62 0.00 0.00 178.44 178.69 2jqi h LYS 57 N 0.10 -0.00 -6.27 1.25 1.57 -1.02 -3.43 116.57 108.76 2jqi h LYS 57 Ca -0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 2jqi h LYS 57 Cb 1.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 2jqi h LYS 57 CO 0.08 0.82 1.21 -1.21 -0.57 0.00 0.00 179.45 179.77 2jqi s GLU 58 N -2.83 3.60 -0.09 3.15 2.02 0.13 -4.85 118.70 119.83 2jqi s GLU 58 Ca -0.18 1.62 0.15 0.00 0.02 0.00 0.00 54.97 56.58 2jqi s GLU 58 Cb -0.02 -4.12 -0.23 0.00 0.10 0.00 0.00 34.13 29.86 2jqi s GLU 58 CO 0.67 -1.54 0.46 0.36 0.02 0.00 0.00 175.26 175.23 2jqi n LYS 59 N 8.01 0.65 -4.65 1.61 0.00 -1.26 -4.83 118.16 117.68 2jqi n LYS 59 Ca 0.21 0.18 -0.29 0.00 -0.00 0.00 0.00 58.31 58.40 2jqi n LYS 59 Cb 0.46 -1.69 -0.09 0.00 -0.00 0.00 0.00 35.03 33.70 2jqi n LYS 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2jqi s ARG 60 N -2.59 2.03 2.05 -1.58 6.06 -1.26 -4.96 118.95 118.70 2jqi s ARG 60 Ca -0.07 -2.22 0.00 0.00 -2.50 0.00 0.00 55.73 50.94 2jqi s ARG 60 Cb 0.07 -1.42 0.00 0.00 0.06 0.00 0.00 34.95 33.66 2jqi s ARG 60 CO 0.83 -0.23 0.00 0.43 -2.50 0.00 0.00 175.30 173.82 2jqi n SER 61 N -1.10 -5.27 -4.86 -2.12 7.64 -1.26 -4.79 113.62 101.86 2jqi n SER 61 Ca -0.11 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.43 2jqi n SER 61 Cb 0.67 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.81 2jqi n SER 61 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2jqi s ILE 62 N 0.00 5.24 0.00 0.44 1.10 -1.26 -4.48 121.20 122.24 2jqi s ILE 62 Ca 0.00 -0.12 0.00 0.00 -0.51 0.00 0.00 60.65 60.02 2jqi s ILE 62 Cb 0.00 -3.38 0.00 0.00 0.15 0.00 0.00 42.46 39.23 2jqi s ILE 62 CO 0.00 0.42 0.64 0.29 -2.11 0.00 0.00 174.94 174.18 2jqi n LYS 63 N 1.33 0.00 -3.67 3.50 4.01 -0.40 -4.88 118.16 118.05 2jqi n LYS 63 Ca -0.14 0.41 -0.11 0.00 -0.51 0.00 0.00 58.31 57.96 2jqi n LYS 63 Cb 0.53 -1.26 -0.12 0.00 -0.51 0.00 0.00 35.03 33.67 2jqi n LYS 63 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 2jqi s LYS 64 N -2.10 0.23 -0.08 1.97 2.20 -1.14 -5.02 119.74 115.80 2jqi s LYS 64 Ca 0.00 0.85 -0.01 0.00 -0.36 0.00 0.00 55.97 56.45 2jqi s LYS 64 Cb 0.00 0.11 -0.03 0.00 -1.51 0.00 0.00 37.83 36.39 2jqi s LYS 64 CO 0.00 -0.26 -0.01 0.54 -0.36 0.00 0.00 175.35 175.26 2jqi s VAL 65 N 2.37 4.21 -0.12 4.02 0.11 -1.26 -2.53 120.40 127.19 2jqi s VAL 65 Ca -0.01 -0.29 -0.07 0.00 -2.93 0.00 0.00 61.98 58.68 2jqi s VAL 65 Cb -0.12 -2.76 -0.04 0.00 -1.53 0.00 0.00 36.38 31.93 2jqi s VAL 65 CO -0.10 0.60 0.13 0.26 -3.33 0.00 0.00 175.10 172.66 2jqi s TRP 66 N -0.86 3.55 -0.15 1.54 0.51 0.57 -4.90 118.94 119.20 2jqi s TRP 66 Ca 0.13 0.48 -0.01 0.00 -2.12 0.00 0.00 56.10 54.58 2jqi s TRP 66 Cb -0.11 -1.95 -0.01 0.00 -0.81 0.00 0.00 33.47 30.59 2jqi s TRP 66 CO 0.02 0.67 -0.12 0.99 -0.51 0.00 0.00 176.95 178.00 2jqi s THR 67 N -0.89 2.99 0.03 2.01 2.01 -1.26 0.16 115.64 120.69 2jqi s THR 67 Ca 0.14 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 61.53 2jqi s THR 67 Cb -0.12 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.08 2jqi s THR 67 CO 0.03 0.51 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.99 2jqi s PHE 68 N 0.67 2.72 -4.34 4.92 0.40 0.52 0.67 117.98 123.54 2jqi s PHE 68 Ca -0.06 -0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.11 2jqi s PHE 68 Cb -0.15 -1.52 0.00 0.00 0.51 0.00 0.00 43.02 41.86 2jqi s PHE 68 CO 0.02 0.32 0.00 0.41 0.70 0.00 0.00 175.22 176.68 2jqi n GLY 69 N 1.44 -2.14 0.00 4.36 0.00 -1.00 0.14 105.19 107.99 2jqi n GLY 69 Ca -0.15 -1.24 0.12 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.50 0.63 -2.96 1.61 1.74 0.36 -3.18 116.66 114.36 2jqi n ARG 70 Ca 0.00 0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.70 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 -2.16 7.15 0.00 0.55 3.04 -0.23 -4.77 114.94 118.52 2jqi s ASN 71 Ca 0.32 1.39 0.13 0.00 0.04 0.00 0.00 52.86 54.73 2jqi s ASN 71 Cb 0.16 -2.46 0.58 0.00 -1.54 0.00 0.00 41.25 37.98 2jqi s ASN 71 CO 0.30 -0.08 1.37 -2.65 -3.04 0.00 0.00 177.10 173.00 2jqi n PRO 72 N 3.35 0.07 0.05 0.43 -0.02 -1.26 -2.01 135.00 135.61 2jqi n PRO 72 Ca -0.01 0.24 -0.22 0.00 -2.02 0.00 0.00 63.50 61.49 2jqi n PRO 72 Cb 0.51 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.34 2jqi n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jqi h ALA 73 N 2.50 0.02 -1.16 3.55 0.00 -1.94 -3.47 119.26 118.76 2jqi h ALA 73 Ca 0.00 -0.92 -0.68 0.00 0.00 0.00 0.00 54.91 53.31 2jqi h ALA 73 Cb 0.18 0.29 0.10 0.00 0.00 0.00 0.00 17.79 18.36 2jqi h ALA 73 CO 0.00 0.67 -0.32 0.00 0.00 0.00 0.00 179.25 179.60 2jqi h ASP 75 N 1.55 0.00 -3.34 0.00 1.82 -0.07 -3.38 116.42 113.00 2jqi h ASP 75 Ca -0.34 0.00 -0.50 0.00 -0.39 0.00 0.00 57.03 55.81 2jqi h ASP 75 Cb 1.42 0.00 -0.35 0.00 0.68 0.00 0.00 39.33 41.08 2jqi h ASP 75 CO 0.59 0.00 -0.80 -0.47 -1.61 0.00 0.00 179.24 176.95 2jqi s TYR 76 N -4.02 1.31 -0.13 0.28 6.14 0.57 -4.87 117.35 116.62 2jqi s TYR 76 Ca -0.04 -0.53 -0.07 0.00 0.64 0.00 0.00 57.07 57.08 2jqi s TYR 76 Cb 0.10 -1.04 -0.04 0.00 0.42 0.00 0.00 41.96 41.40 2jqi s TYR 76 CO 0.31 -0.34 0.11 -1.58 0.64 0.00 0.00 175.55 174.69 2jqi s HIS 77 N 1.09 3.47 0.02 4.97 5.65 -1.26 -2.38 115.29 126.85 2jqi s HIS 77 Ca -0.07 0.40 0.00 0.00 0.25 0.00 0.00 55.06 55.64 2jqi s HIS 77 Cb -0.14 -1.96 0.00 0.00 -1.18 0.00 0.00 32.58 29.30 2jqi s HIS 77 CO -0.01 0.58 0.00 1.47 -0.65 0.00 0.00 174.74 176.13 2jqi n LEU 78 N 2.37 0.13 0.00 8.88 -0.00 -1.19 -4.88 117.00 122.31 2jqi n LEU 78 Ca -0.19 0.03 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 2jqi n LEU 78 Cb 0.54 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 2jqi n LEU 78 CO 0.32 -0.54 0.00 0.61 -0.00 0.00 0.00 177.39 177.78 2jqi n GLY 79 N 3.04 1.75 2.73 1.47 0.00 -1.26 -4.85 105.19 108.08 2jqi n GLY 79 Ca 0.00 0.22 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.63 -4.70 1.61 0.23 -1.26 -4.38 115.26 104.13 2jqi n ASN 80 Ca 0.00 -3.47 -0.39 0.00 -0.53 0.00 0.00 54.58 50.19 2jqi n ASN 80 Cb 0.00 1.85 -0.06 0.00 -2.08 0.00 0.00 39.78 39.50 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 0.49 5.10 0.60 1.53 1.01 -1.26 -4.94 121.20 123.73 2jqi s ILE 81 Ca 0.28 1.15 0.29 0.00 0.00 0.00 0.00 60.65 62.37 2jqi s ILE 81 Cb 0.26 -3.91 0.36 0.00 0.01 0.00 0.00 42.46 39.18 2jqi s ILE 81 CO -0.16 0.24 2.01 0.28 0.00 0.00 0.00 174.94 177.30 2jqi h SER 82 N 7.00 0.00 0.03 3.58 0.02 -2.01 -1.68 113.55 120.48 2jqi h SER 82 Ca -0.38 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.52 2jqi h SER 82 Cb 1.17 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.72 2jqi h SER 82 CO 0.76 0.00 -0.23 0.03 -1.14 0.00 0.00 176.83 176.25 2jqi h ARG 83 N 0.00 0.11 -7.13 3.45 2.47 -1.95 -3.46 114.38 107.87 2jqi h ARG 83 Ca 0.12 -0.15 -0.49 0.00 -1.26 0.00 0.00 59.98 58.20 2jqi h ARG 83 Cb 0.75 0.05 0.06 0.00 -1.65 0.00 0.00 29.97 29.18 2jqi h ARG 83 CO -0.00 1.00 0.39 -0.51 0.56 0.00 0.00 179.97 181.41 2jqi s LEU 84 N -8.29 3.65 0.40 3.04 1.43 -0.63 -4.68 118.68 113.60 2jqi s LEU 84 Ca -0.17 1.96 0.03 0.00 -1.03 0.00 0.00 54.13 54.91 2jqi s LEU 84 Cb -0.01 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.65 2jqi s LEU 84 CO 0.73 -1.12 0.59 -0.94 0.23 0.00 0.00 176.35 175.84 2jqi s SER 85 N -2.28 5.90 0.21 2.29 1.04 -1.26 -4.69 113.70 114.91 2jqi s SER 85 Ca 0.67 0.12 -0.18 0.00 0.48 0.00 0.00 55.95 57.05 2jqi s SER 85 Cb -0.18 -1.45 0.21 0.00 0.10 0.00 0.00 66.02 64.70 2jqi s SER 85 CO 0.30 -0.59 1.57 0.78 0.98 0.00 0.00 173.24 176.29 2jqi h ASN 86 N 0.59 -1.18 -3.25 7.02 2.35 -1.92 -2.57 115.58 116.61 2jqi h ASN 86 Ca -0.46 0.26 -0.63 0.00 -0.55 0.00 0.00 56.30 54.92 2jqi h ASN 86 Cb 1.25 0.63 -0.41 0.00 0.05 0.00 0.00 38.32 39.84 2jqi h ASN 86 CO 0.56 -0.29 -0.51 -1.59 -1.65 0.00 0.00 177.43 173.94 2jqi s LYS 87 N -6.03 2.53 0.16 0.81 0.00 -1.26 -0.49 119.74 115.47 2jqi s LYS 87 Ca -0.14 -3.28 -0.16 0.00 0.00 0.00 0.00 55.97 52.39 2jqi s LYS 87 Cb 0.19 -3.49 0.03 0.00 0.00 0.00 0.00 37.83 34.56 2jqi s LYS 87 CO 0.71 -1.27 1.82 1.25 0.00 0.00 0.00 175.35 177.87 2jqi h HIS 88 N 5.57 0.56 -3.87 1.78 2.76 0.16 -3.37 115.15 118.74 2jqi h HIS 88 Ca 0.13 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.22 2jqi h HIS 88 Cb 0.77 -0.19 -0.14 0.00 1.55 0.00 0.00 27.41 29.40 2jqi h HIS 88 CO 0.68 0.35 -0.43 -0.59 -1.30 0.00 0.00 177.93 176.63 2jqi s PHE 89 N -6.16 0.22 0.00 5.26 -0.71 -0.47 0.14 117.98 116.26 2jqi s PHE 89 Ca -0.13 -0.65 0.02 0.00 -1.04 0.00 0.00 56.93 55.13 2jqi s PHE 89 Cb 0.11 -0.12 -0.01 0.00 -1.21 0.00 0.00 43.02 41.79 2jqi s PHE 89 CO 0.73 -0.50 -0.06 -1.14 -1.34 0.00 0.00 175.22 172.92 2jqi s GLN 90 N -3.74 0.44 -0.11 1.99 0.74 0.45 0.20 119.66 119.62 2jqi s GLN 90 Ca 0.04 -0.27 0.03 0.00 0.05 0.00 0.00 55.36 55.21 2jqi s GLN 90 Cb 0.05 -0.39 -0.00 0.00 1.10 0.00 0.00 33.01 33.76 2jqi s GLN 90 CO -0.10 0.10 -0.21 0.42 -0.55 0.00 0.00 175.29 174.96 2jqi s ILE 91 N -0.30 2.37 -0.05 -2.34 1.01 0.42 0.19 121.20 122.50 2jqi s ILE 91 Ca 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.77 2jqi s ILE 91 Cb -0.03 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 2jqi s ILE 91 CO -0.00 0.55 -0.09 -1.48 0.00 0.00 0.00 174.94 173.92 2jqi s LEU 92 N 0.35 3.06 -0.08 2.97 2.34 -0.01 0.21 118.68 127.52 2jqi s LEU 92 Ca -0.16 -0.09 0.04 0.00 0.06 0.00 0.00 54.13 53.98 2jqi s LEU 92 Cb -0.17 -1.68 -0.00 0.00 -0.56 0.00 0.00 46.19 43.78 2jqi s LEU 92 CO 0.08 0.34 -0.23 -0.22 -1.06 0.00 0.00 176.35 175.26 2jqi s LEU 93 N -0.93 2.03 0.00 1.48 1.98 -1.05 -1.01 118.68 121.18 2jqi s LEU 93 Ca 0.13 -0.51 0.00 0.00 -2.89 0.00 0.00 54.13 50.87 2jqi s LEU 93 Cb -0.11 -1.31 0.00 0.00 0.66 0.00 0.00 46.19 45.43 2jqi s LEU 93 CO 0.02 0.17 0.00 0.61 -1.89 0.00 0.00 176.35 175.27 2jqi n GLY 94 N 3.35 0.37 2.30 7.98 0.00 -1.19 -1.28 105.19 116.72 2jqi n GLY 94 Ca -0.19 -1.63 -0.02 0.00 0.00 0.00 0.00 46.02 44.18 2jqi n GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jqi n GLU 95 N 0.00 -4.35 0.00 1.61 1.02 -1.26 -3.73 120.64 113.93 2jqi n GLU 95 Ca 0.00 3.26 0.00 0.00 -0.02 0.00 0.00 57.16 60.40 2jqi n GLU 95 Cb 0.00 -4.37 0.00 0.00 -0.02 0.00 0.00 31.44 27.05 2jqi n GLU 95 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2jqi n ASP 96 N 1.56 0.00 0.00 1.62 9.92 -1.26 -2.84 116.55 125.55 2jqi n ASP 96 Ca -0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.09 2jqi n ASP 96 Cb 0.26 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.74 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 0.00 0.00 1.41 0.44 0.00 -1.26 -5.03 105.19 100.74 2jqi n GLY 97 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 1.85 -4.39 1.61 3.02 -1.13 -4.96 115.26 111.26 2jqi n ASN 98 Ca 0.00 -1.89 -0.29 0.00 -0.03 0.00 0.00 54.58 52.38 2jqi n ASN 98 Cb 0.00 0.27 -0.13 0.00 -0.61 0.00 0.00 39.78 39.31 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 2.33 0.03 3.41 1.02 -1.26 -3.20 118.68 121.01 2jqi s LEU 99 Ca 0.04 -0.76 0.04 0.00 0.02 0.00 0.00 54.13 53.47 2jqi s LEU 99 Cb 0.00 -1.21 -0.02 0.00 0.02 0.00 0.00 46.19 44.99 2jqi s LEU 99 CO 0.03 0.17 -0.11 -0.76 0.02 0.00 0.00 176.35 175.70 2jqi s LEU 100 N -2.11 2.15 -0.16 1.79 1.02 -0.18 -1.93 118.68 119.26 2jqi s LEU 100 Ca 0.14 -0.40 -0.02 0.00 0.02 0.00 0.00 54.13 53.88 2jqi s LEU 100 Cb -0.10 -0.44 -0.01 0.00 0.02 0.00 0.00 46.19 45.66 2jqi s LEU 100 CO 0.06 -0.01 -0.09 -0.22 0.02 0.00 0.00 176.35 176.11 2jqi s LEU 101 N -1.00 2.84 -0.23 1.79 2.96 -0.32 -0.83 118.68 123.89 2jqi s LEU 101 Ca -0.01 -0.32 -0.00 0.00 -0.22 0.00 0.00 54.13 53.58 2jqi s LEU 101 Cb -0.07 -1.67 0.03 0.00 0.50 0.00 0.00 46.19 44.98 2jqi s LEU 101 CO 0.01 0.11 -0.10 0.21 -1.32 0.00 0.00 176.35 175.26 2jqi s ASN 102 N 0.68 4.07 0.18 3.68 2.47 0.49 -2.19 114.94 124.32 2jqi s ASN 102 Ca -0.05 -0.91 -0.30 0.00 0.42 0.00 0.00 52.86 52.02 2jqi s ASN 102 Cb -0.15 -1.60 -0.08 0.00 -1.45 0.00 0.00 41.25 37.97 2jqi s ASN 102 CO 0.02 -0.11 0.95 1.51 -3.72 0.00 0.00 177.10 175.76 2jqi s ASP 103 N 1.28 7.58 -0.29 -4.21 1.47 -1.25 0.17 116.67 121.41 2jqi s ASP 103 Ca -0.00 1.89 0.19 0.00 1.18 0.00 0.00 52.55 55.81 2jqi s ASP 103 Cb -0.16 -2.60 0.47 0.00 -0.34 0.00 0.00 42.92 40.29 2jqi s ASP 103 CO -0.06 0.05 1.24 2.30 0.68 0.00 0.00 175.17 179.38 2jqi n ILE 104 N 2.07 0.84 -3.92 2.11 -5.35 -0.75 0.26 119.36 114.63 2jqi n ILE 104 Ca -0.00 -2.32 -0.23 0.00 -0.27 0.00 0.00 62.75 59.92 2jqi n ILE 104 Cb 0.48 1.17 -0.02 0.00 -1.74 0.00 0.00 39.64 39.53 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 -2.91 6.33 0.25 7.28 0.01 0.36 -4.14 113.70 120.88 2jqi s SER 105 Ca 0.22 0.14 0.01 0.00 1.31 0.00 0.00 55.95 57.63 2jqi s SER 105 Cb 0.37 -1.90 0.32 0.00 0.21 0.00 0.00 66.02 65.02 2jqi s SER 105 CO -0.06 -0.04 1.65 0.74 0.41 0.00 0.00 173.24 175.94 2jqi h THR 106 N 1.34 1.29 0.00 1.44 2.02 -1.88 -3.21 112.91 113.91 2jqi h THR 106 Ca -0.50 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.19 2jqi h THR 106 Cb 1.21 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 2jqi h THR 106 CO 0.64 0.46 -1.84 -0.46 0.37 0.00 0.00 175.52 174.69 2jqi n ASN 107 N -4.05 0.14 0.00 4.18 0.23 -1.26 -5.09 115.26 109.40 2jqi n ASN 107 Ca -0.01 0.03 0.00 0.00 -0.53 0.00 0.00 54.58 54.06 2jqi n ASN 107 Cb 0.48 1.77 0.00 0.00 -2.08 0.00 0.00 39.78 39.94 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 3.23 3.36 4.83 0.00 -1.22 -4.91 105.19 111.74 2jqi n GLY 108 Ca -0.03 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.68 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 -2.97 2.45 0.10 2.61 2.01 -1.26 -4.43 115.64 114.15 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 -1.92 -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 0.00 174.62 174.60 2jqi s TRP 110 N -0.44 2.57 -0.21 4.92 0.51 0.31 -2.68 118.94 123.92 2jqi s TRP 110 Ca 0.05 -0.24 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 0.36 -0.09 -0.48 -0.51 0.00 0.00 176.95 176.24 2jqi s LEU 111 N -1.98 2.42 -1.67 2.99 0.05 0.92 0.18 118.68 121.59 2jqi s LEU 111 Ca 0.18 -0.98 -0.15 0.00 0.05 0.00 0.00 54.13 53.23 2jqi s LEU 111 Cb -0.11 -1.24 0.13 0.00 -2.05 0.00 0.00 46.19 42.92 2jqi s LEU 111 CO 0.09 -0.17 0.65 0.59 -0.55 0.00 0.00 176.35 176.97 2jqi n ASN 112 N 4.66 -2.33 0.00 1.48 3.02 -0.51 0.62 115.26 122.20 2jqi n ASN 112 Ca -0.14 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 2jqi n ASN 112 Cb 0.46 -2.59 0.00 0.00 -0.61 0.00 0.00 39.78 37.03 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 -1.55 1.21 3.42 7.41 0.00 -1.26 -5.02 105.19 109.40 2jqi n GLY 113 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.35 3.51 -0.16 1.61 -0.21 0.20 -5.07 119.66 119.20 2jqi s GLN 114 Ca 0.00 -0.58 -0.29 0.00 0.02 0.00 0.00 55.36 54.51 2jqi s GLN 114 Cb 0.00 -3.35 -0.01 0.00 1.00 0.00 0.00 33.01 30.65 2jqi s GLN 114 CO 0.00 -0.26 1.20 0.21 -2.12 0.00 0.00 175.29 174.32 2jqi s LYS 115 N 1.59 4.26 0.37 2.91 2.47 -1.26 -0.06 119.74 130.03 2jqi s LYS 115 Ca 0.05 1.60 0.04 0.00 -1.56 0.00 0.00 55.97 56.10 2jqi s LYS 115 Cb -0.16 -3.70 -0.01 0.00 -1.46 0.00 0.00 37.83 32.50 2jqi s LYS 115 CO 0.03 -0.64 0.54 0.14 0.16 0.00 0.00 175.35 175.59 2jqi s VAL 116 N 3.18 4.16 0.05 4.02 -7.23 -1.09 -4.98 120.40 118.51 2jqi s VAL 116 Ca 0.53 -0.80 -0.31 0.00 -1.81 0.00 0.00 61.98 59.60 2jqi s VAL 116 Cb -0.21 -3.48 -0.06 0.00 0.56 0.00 0.00 36.38 33.19 2jqi s VAL 116 CO 0.14 -0.25 1.41 -1.61 -0.31 0.00 0.00 175.10 174.48 2jqi s GLU 117 N -4.31 4.30 0.97 4.82 2.02 -1.26 -4.63 118.70 120.61 2jqi s GLU 117 Ca 0.45 2.02 -0.13 0.00 0.02 0.00 0.00 54.97 57.33 2jqi s GLU 117 Cb -0.10 -3.46 0.05 0.00 0.10 0.00 0.00 34.13 30.73 2jqi s GLU 117 CO 0.34 -0.53 0.42 1.17 0.02 0.00 0.00 175.26 176.68 2jqi n LYS 118 N 4.85 -0.48 -2.79 1.61 4.81 -1.26 -2.24 118.16 122.66 2jqi n LYS 118 Ca 0.13 -0.10 -0.14 0.00 -0.87 0.00 0.00 58.31 57.32 2jqi n LYS 118 Cb 0.43 -1.88 -0.03 0.00 0.02 0.00 0.00 35.03 33.58 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 -1.60 -1.03 -4.56 3.14 0.23 0.74 -4.85 115.26 107.33 2jqi n ASN 119 Ca 0.06 -0.20 -0.31 0.00 -0.53 0.00 0.00 54.58 53.60 2jqi n ASN 119 Cb 0.54 -0.95 -0.11 0.00 -2.08 0.00 0.00 39.78 37.19 2jqi n ASN 119 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2jqi s SER 120 N -2.02 4.40 -0.06 0.53 0.15 -0.95 -4.90 113.70 110.85 2jqi s SER 120 Ca 0.28 -0.24 -0.24 0.00 0.70 0.00 0.00 55.95 56.45 2jqi s SER 120 Cb -0.16 -0.94 -0.04 0.00 -1.71 0.00 0.00 66.02 63.17 2jqi s SER 120 CO 0.34 0.26 0.72 0.20 1.20 0.00 0.00 173.24 175.96 2jqi s ASN 121 N -1.51 7.02 0.05 5.45 -0.87 -1.26 -3.91 114.94 119.90 2jqi s ASN 121 Ca 0.17 1.22 0.05 0.00 -1.57 0.00 0.00 52.86 52.74 2jqi s ASN 121 Cb -0.11 -2.42 -0.02 0.00 -0.02 0.00 0.00 41.25 38.67 2jqi s ASN 121 CO 0.08 -0.13 -0.15 -1.10 -2.57 0.00 0.00 177.10 173.23 2jqi s GLN 122 N 0.81 0.96 -0.15 -0.60 -1.52 -0.93 -4.92 119.66 113.30 2jqi s GLN 122 Ca 0.39 -0.83 -0.29 0.00 -1.95 0.00 0.00 55.36 52.67 2jqi s GLN 122 Cb -0.18 -0.99 -0.02 0.00 -0.22 0.00 0.00 33.01 31.60 2jqi s GLN 122 CO 0.19 0.24 1.39 -1.17 -0.25 0.00 0.00 175.29 175.69 2jqi s LEU 123 N -1.31 4.18 0.83 2.90 1.98 -1.26 -1.18 118.68 124.82 2jqi s LEU 123 Ca 0.02 1.79 -0.14 0.00 -2.89 0.00 0.00 54.13 52.90 2jqi s LEU 123 Cb -0.08 -3.54 0.01 0.00 0.66 0.00 0.00 46.19 43.24 2jqi s LEU 123 CO 0.02 -0.86 0.57 -0.11 -1.89 0.00 0.00 176.35 174.08 2jqi n LEU 124 N 6.94 0.92 -4.32 -0.68 7.94 -0.81 -4.91 117.00 122.07 2jqi n LEU 124 Ca 0.15 0.48 -0.23 0.00 -1.11 0.00 0.00 56.01 55.31 2jqi n LEU 124 Cb 0.44 -1.25 -0.12 0.00 0.53 0.00 0.00 43.42 43.02 2jqi n LEU 124 CO 0.59 -3.12 -0.50 -0.94 -1.11 0.00 0.00 177.39 172.30 2jqi s SER 125 N -1.78 2.70 -0.06 1.96 1.04 -1.26 -4.98 113.70 111.31 2jqi s SER 125 Ca 0.63 -0.80 -0.30 0.00 0.48 0.00 0.00 55.95 55.96 2jqi s SER 125 Cb -0.28 -0.16 -0.04 0.00 0.10 0.00 0.00 66.02 65.63 2jqi s SER 125 CO 0.61 0.01 1.40 -1.10 0.98 0.00 0.00 173.24 175.14 2jqi s GLN 126 N -2.48 4.26 -1.99 4.02 -1.52 -1.26 -2.60 119.66 118.08 2jqi s GLN 126 Ca 0.13 1.90 0.00 0.00 -1.95 0.00 0.00 55.36 55.44 2jqi s GLN 126 Cb -0.07 -3.71 0.00 0.00 -0.22 0.00 0.00 33.01 29.01 2jqi s GLN 126 CO 0.06 -0.65 0.00 0.41 -0.25 0.00 0.00 175.29 174.86 2jqi n GLY 127 N 3.71 1.48 3.20 3.09 0.00 -1.08 -4.93 105.19 110.65 2jqi n GLY 127 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.31 -2.78 -3.78 1.61 2.03 -1.07 -4.45 116.55 106.80 2jqi n ASP 128 Ca -0.20 -0.32 -0.13 0.00 0.52 0.00 0.00 54.79 54.66 2jqi n ASP 128 Cb 0.64 -0.92 -0.13 0.00 -0.72 0.00 0.00 41.12 39.99 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 -3.74 0.18 -0.20 -0.67 2.02 -1.26 0.19 118.70 115.22 2jqi s GLU 129 Ca 0.52 0.34 -0.04 0.00 0.02 0.00 0.00 54.97 55.81 2jqi s GLU 129 Cb -0.11 -0.01 -0.02 0.00 0.10 0.00 0.00 34.13 34.09 2jqi s GLU 129 CO 0.54 -0.09 -0.03 0.42 0.02 0.00 0.00 175.26 176.12 2jqi s ILE 130 N 0.60 3.58 -0.09 -1.63 1.01 0.33 -1.42 121.20 123.58 2jqi s ILE 130 Ca -0.04 -0.44 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 2jqi s ILE 130 Cb -0.06 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 2jqi s ILE 130 CO -0.03 0.44 0.05 -0.89 0.00 0.00 0.00 174.94 174.50 2jqi s THR 131 N 1.14 4.71 0.05 2.92 2.01 0.47 0.12 115.64 127.06 2jqi s THR 131 Ca 0.02 -0.10 -0.01 0.00 0.31 0.00 0.00 61.69 61.90 2jqi s THR 131 Cb -0.15 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 2jqi s THR 131 CO -0.00 0.60 -0.02 0.68 -0.69 0.00 0.00 174.62 175.19 2jqi s VAL 132 N -0.94 0.20 0.00 3.82 -7.23 0.14 0.11 120.40 116.51 2jqi s VAL 132 Ca 0.14 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 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 0.03 -0.92 0.00 0.61 -0.31 0.00 0.00 175.10 174.51 2jqi n GLY 133 N 0.29 0.86 3.75 2.32 0.00 -1.26 0.12 105.19 111.28 2jqi n GLY 133 Ca -0.15 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.51 4.09 0.00 1.61 1.01 -1.26 -3.08 120.40 120.25 2jqi s VAL 134 Ca 0.00 2.06 0.00 0.00 0.00 0.00 0.00 61.98 64.04 2jqi s VAL 134 Cb 0.00 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.08 2jqi s VAL 134 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.18 2jqi n GLY 135 N 1.42 1.36 2.97 4.51 0.00 -1.26 -4.99 105.19 109.19 2jqi n GLY 135 Ca -0.02 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.16 1.37 0.41 1.61 1.01 -1.26 -5.02 120.40 118.36 2jqi s VAL 136 Ca 0.00 -0.59 0.18 0.00 0.00 0.00 0.00 61.98 61.56 2jqi s VAL 136 Cb 0.00 -1.37 0.38 0.00 0.00 0.00 0.00 36.38 35.40 2jqi s VAL 136 CO 0.00 0.35 1.82 -0.08 0.00 0.00 0.00 175.10 177.18 2jqi h GLU 137 N 8.08 0.41 -0.34 2.72 4.81 -1.98 0.20 114.58 128.48 2jqi h GLU 137 Ca -0.33 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2jqi h GLU 137 Cb 1.13 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.41 2jqi h GLU 137 CO 0.47 0.27 0.00 0.45 -0.73 0.00 0.00 179.01 179.47 2jqi n SER 138 N -4.56 2.45 -0.80 1.04 2.88 -1.26 -4.23 113.62 109.14 2jqi n SER 138 Ca 0.22 -1.89 0.06 0.00 -1.33 0.00 0.00 58.87 55.92 2jqi n SER 138 Cb 0.77 -0.22 0.15 0.00 -0.75 0.00 0.00 64.21 64.16 2jqi n SER 138 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2jqi n ASP 139 N 0.83 1.53 -4.67 -3.46 8.00 0.71 -5.03 116.55 114.46 2jqi n ASP 139 Ca 0.17 -3.34 -0.35 0.00 0.71 0.00 0.00 54.79 51.98 2jqi n ASP 139 Cb 0.43 -0.46 -0.10 0.00 -0.02 0.00 0.00 41.12 40.97 2jqi n ASP 139 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jqi s ILE 140 N -2.33 4.27 -0.06 0.53 1.01 -1.18 -4.26 121.20 119.19 2jqi s ILE 140 Ca 0.36 -0.26 0.05 0.00 0.00 0.00 0.00 60.65 60.80 2jqi s ILE 140 Cb 0.36 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 2jqi s ILE 140 CO -0.09 0.60 -0.23 -0.22 0.00 0.00 0.00 174.94 175.00 2jqi s LEU 141 N -0.80 2.03 -0.12 2.97 0.20 0.31 -4.94 118.68 118.32 2jqi s LEU 141 Ca 0.12 -0.48 -0.01 0.00 0.69 0.00 0.00 54.13 54.45 2jqi s LEU 141 Cb -0.11 -1.27 -0.02 0.00 -0.43 0.00 0.00 46.19 44.35 2jqi s LEU 141 CO 0.02 0.21 -0.08 -0.44 -0.29 0.00 0.00 176.35 175.77 2jqi s SER 142 N -0.03 4.47 0.11 3.68 0.01 -1.26 0.26 113.70 120.93 2jqi s SER 142 Ca -0.06 -0.18 0.08 0.00 1.31 0.00 0.00 55.95 57.11 2jqi s SER 142 Cb -0.14 -1.56 -0.04 0.00 0.21 0.00 0.00 66.02 64.50 2jqi s SER 142 CO 0.04 0.22 -0.21 -0.76 0.41 0.00 0.00 173.24 172.94 2jqi s LEU 143 N 0.06 2.31 -0.03 2.44 1.43 0.12 -3.99 118.68 121.02 2jqi s LEU 143 Ca -0.02 -0.69 0.06 0.00 -1.03 0.00 0.00 54.13 52.44 2jqi s LEU 143 Cb -0.14 -0.89 -0.02 0.00 0.03 0.00 0.00 46.19 45.17 2jqi s LEU 143 CO 0.03 0.06 -0.21 -0.69 0.23 0.00 0.00 176.35 175.77 2jqi s VAL 144 N -1.20 2.49 -0.23 -1.59 1.01 0.31 0.12 120.40 121.31 2jqi s VAL 144 Ca 0.07 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 2jqi s VAL 144 Cb -0.10 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 2jqi s VAL 144 CO 0.04 0.57 0.06 -0.63 0.00 0.00 0.00 175.10 175.15 2jqi s ILE 145 N -0.67 4.31 -0.34 2.22 1.01 0.13 0.80 121.20 128.66 2jqi s ILE 145 Ca 0.11 -0.18 -0.08 0.00 0.00 0.00 0.00 60.65 60.50 2jqi s ILE 145 Cb -0.10 -3.00 0.03 0.00 0.01 0.00 0.00 42.46 39.40 2jqi s ILE 145 CO -0.00 0.36 0.13 -0.36 0.00 0.00 0.00 174.94 175.07 2jqi s PHE 146 N 1.39 3.23 0.03 3.97 0.40 0.34 -2.63 117.98 124.71 2jqi s PHE 146 Ca 0.05 -1.22 -0.25 0.00 -0.60 0.00 0.00 56.93 54.92 2jqi s PHE 146 Cb -0.15 -2.31 -0.05 0.00 0.51 0.00 0.00 43.02 41.02 2jqi s PHE 146 CO 0.03 -0.68 0.76 0.42 0.70 0.00 0.00 175.22 176.45 2jqi s ILE 147 N 1.46 4.78 -0.56 0.64 1.09 -1.26 0.67 121.20 128.02 2jqi s ILE 147 Ca 0.00 1.60 -0.25 0.00 -1.10 0.00 0.00 60.65 60.91 2jqi s ILE 147 Cb -0.19 -4.10 0.04 0.00 -1.06 0.00 0.00 42.46 37.15 2jqi s ILE 147 CO 0.04 0.35 0.98 0.21 -0.10 0.00 0.00 174.94 176.41 2jqi s ASN 148 N 0.06 6.35 0.50 3.58 2.47 -1.16 -4.89 114.94 121.86 2jqi s ASN 148 Ca 0.38 -0.29 0.17 0.00 0.42 0.00 0.00 52.86 53.54 2jqi s ASN 148 Cb -0.20 -2.45 1.24 0.00 -1.45 0.00 0.00 41.25 38.39 2jqi s ASN 148 CO 0.22 -1.26 2.09 -0.78 -3.72 0.00 0.00 177.10 173.65 2jqi h ASP 149 N 9.35 0.08 -0.50 -4.21 1.82 -1.93 -1.90 116.42 119.12 2jqi h ASP 149 Ca -0.26 -0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.40 2jqi h ASP 149 Cb 1.07 -0.02 -0.03 0.00 0.68 0.00 0.00 39.33 41.03 2jqi h ASP 149 CO 1.10 0.05 0.31 0.11 -1.61 0.00 0.00 179.24 179.21 2jqi h LYS 150 N 0.09 0.61 -0.85 0.28 1.57 -1.93 -2.23 116.57 114.11 2jqi h LYS 150 Ca 0.10 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 2jqi h LYS 150 Cb 0.29 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 2jqi h LYS 150 CO -0.01 0.40 0.53 0.35 -0.57 0.00 0.00 179.45 180.16 2jqi h PHE 151 N 0.63 0.99 -0.50 -1.35 3.57 -1.56 -1.67 116.94 117.05 2jqi h PHE 151 Ca 0.19 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 2jqi h PHE 151 Cb -0.02 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.37 2jqi h PHE 151 CO -0.06 0.54 0.18 0.87 -2.23 0.00 0.00 178.31 177.61 2jqi h LYS 152 N 1.00 0.73 -0.75 1.11 1.57 -1.38 -2.22 116.57 116.63 2jqi h LYS 152 Ca 0.36 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 2jqi h LYS 152 Cb 0.10 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2jqi h LYS 152 CO -0.15 0.62 0.27 1.96 -0.57 0.00 0.00 179.45 181.58 2jqi h GLN 153 N 0.72 1.15 -0.30 3.15 4.20 -0.75 0.20 115.11 123.48 2jqi h GLN 153 Ca 0.17 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 2jqi h GLN 153 Cb 0.18 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2jqi h GLN 153 CO -0.01 0.96 -0.08 0.00 -0.67 0.00 0.00 178.83 179.02 2jqi h LEU 155 N 0.35 0.99 -0.14 0.00 7.12 -1.26 0.91 115.31 123.27 2jqi h LEU 155 Ca 0.07 -0.42 -0.01 0.00 0.13 0.00 0.00 57.88 57.65 2jqi h LEU 155 Cb 0.57 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 40.42 2jqi h LEU 155 CO 0.03 1.21 0.04 -0.08 -0.13 0.00 0.00 178.44 179.51 2jqi h GLU 156 N 0.79 0.22 0.12 1.25 4.57 -0.57 -3.19 114.58 117.77 2jqi h GLU 156 Ca 0.08 -0.05 -0.28 0.00 -1.18 0.00 0.00 59.36 57.93 2jqi h GLU 156 Cb 0.90 -0.03 0.02 0.00 -0.16 0.00 0.00 28.75 29.47 2jqi h GLU 156 CO 0.08 0.37 -1.22 0.37 -1.18 0.00 0.00 179.01 177.43 2jqi h GLN 157 N 0.04 0.42 -6.43 1.92 -0.00 -1.22 -3.47 115.11 106.38 2jqi h GLN 157 Ca 0.05 -0.62 -0.45 0.00 -0.00 0.00 0.00 58.65 57.62 2jqi h GLN 157 Cb 0.24 0.21 -0.24 0.00 0.00 0.00 0.00 27.48 27.70 2jqi h GLN 157 CO -0.00 1.27 -0.66 0.27 0.00 0.00 0.00 178.83 179.70 2jqi n ASN 158 N -3.67 -2.19 -4.29 -0.69 0.23 0.31 -4.91 115.26 100.05 2jqi n ASN 158 Ca -0.11 -0.73 -0.24 0.00 -0.53 0.00 0.00 54.58 52.97 2jqi n ASN 158 Cb 0.99 -1.89 -0.12 0.00 -2.08 0.00 0.00 39.78 36.68 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 -6.56 1.13 -0.07 -3.83 -0.14 -1.26 -5.08 119.74 103.92 2jqi s LYS 159 Ca 0.59 -1.17 -0.30 0.00 -1.36 0.00 0.00 55.97 53.73 2jqi s LYS 159 Cb -0.34 -1.39 -0.02 0.00 -1.68 0.00 0.00 37.83 34.40 2jqi s LYS 159 CO 0.73 0.32 1.09 0.08 -0.76 0.00 0.00 175.35 176.81 2jqi s VAL 160 N -1.18 4.55 -0.33 3.17 1.01 -1.26 -5.01 120.40 121.34 2jqi s VAL 160 Ca 0.07 1.84 0.04 0.00 0.00 0.00 0.00 61.98 63.93 2jqi s VAL 160 Cb -0.10 -4.18 0.10 0.00 0.00 0.00 0.00 36.38 32.19 2jqi s VAL 160 CO 0.04 0.01 0.04 -0.62 0.00 0.00 0.00 175.10 174.58 2jqi s ASP 161 N 1.24 4.74 0.36 3.32 -1.08 -1.26 -5.09 116.67 118.89 2jqi s ASP 161 Ca 0.52 -2.10 0.03 0.00 -0.52 0.00 0.00 52.55 50.48 2jqi s ASP 161 Cb -0.21 -1.62 -0.04 0.00 -1.46 0.00 0.00 42.92 39.59 2jqi s ASP 161 CO 0.20 -0.37 0.10 -0.13 0.52 0.00 0.00 175.17 175.50 2jqi s ARG 162 N 0.92 1.75 0.02 4.34 0.52 -1.26 -5.13 118.95 120.12 2jqi s ARG 162 Ca 0.10 -2.02 -0.30 0.00 -0.52 0.00 0.00 55.73 52.98 2jqi s ARG 162 Cb -0.19 -0.64 -0.04 0.00 0.52 0.00 0.00 34.95 34.60 2jqi s ARG 162 CO -0.08 -0.35 1.01 0.96 0.02 0.00 0.00 175.30 176.86 2jqi s ILE 163 N -3.33 4.71 0.00 1.52 -4.36 -1.26 -5.34 121.20 113.15 2jqi s ILE 163 Ca 0.31 1.98 0.00 0.00 -0.26 0.00 0.00 60.65 62.68 2jqi s ILE 163 Cb 0.06 -4.27 0.00 0.00 1.25 0.00 0.00 42.46 39.50 2jqi s ILE 163 CO 0.15 0.17 0.00 -1.14 0.24 0.00 0.00 174.94 174.36