#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qsq s LYS 1 N 0.00 3.76 0.09 0.00 2.20 -1.26 -4.94 119.74 119.58 2qsq s LYS 1 Ca 0.00 0.18 -0.34 0.00 -0.36 0.00 0.00 55.97 55.45 2qsq s LYS 1 Cb 0.00 -3.06 -0.14 0.00 -1.51 0.00 0.00 37.83 33.12 2qsq s LYS 1 CO 0.00 0.61 1.63 -0.11 -0.36 0.00 0.00 175.35 177.12 2qsq n LEU 2 N 1.17 3.03 -3.99 5.43 7.94 -1.25 -4.67 117.00 124.65 2qsq n LEU 2 Ca -0.10 1.06 -0.09 0.00 -1.11 0.00 0.00 56.01 55.77 2qsq n LEU 2 Cb 0.52 -1.39 -0.11 0.00 0.53 0.00 0.00 43.42 42.98 2qsq n LEU 2 CO 0.41 -0.31 -0.35 -0.89 -1.11 0.00 0.00 177.39 175.14 2qsq s THR 3 N 1.66 0.12 -0.15 1.96 2.01 -0.87 -4.73 115.64 115.64 2qsq s THR 3 Ca 0.83 -1.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 2qsq s THR 3 Cb -0.72 -0.42 -0.01 0.00 0.01 0.00 0.00 72.50 71.36 2qsq s THR 3 CO 0.42 -0.55 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.07 2qsq s ILE 4 N -1.75 3.22 -0.15 1.82 1.01 -1.26 -0.81 121.20 123.27 2qsq s ILE 4 Ca -0.13 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 59.93 2qsq s ILE 4 Cb -0.08 -2.38 0.03 0.00 0.01 0.00 0.00 42.46 40.04 2qsq s ILE 4 CO -0.02 0.50 -0.13 -1.83 0.00 0.00 0.00 174.94 173.47 2qsq s GLU 5 N 0.57 2.16 0.31 2.79 -1.05 0.28 -4.64 118.70 119.13 2qsq s GLU 5 Ca -0.07 -0.56 -0.28 0.00 -0.15 0.00 0.00 54.97 53.91 2qsq s GLU 5 Cb -0.15 -2.09 -0.09 0.00 -0.44 0.00 0.00 34.13 31.35 2qsq s GLU 5 CO 0.03 -0.27 1.12 -1.54 0.95 0.00 0.00 175.26 175.55 2qsq s SER 6 N 1.50 7.08 -0.08 0.83 1.04 -1.26 -1.21 113.70 121.60 2qsq s SER 6 Ca 0.04 2.29 -0.03 0.00 0.48 0.00 0.00 55.95 58.73 2qsq s SER 6 Cb -0.13 -2.62 0.04 0.00 0.10 0.00 0.00 66.02 63.41 2qsq s SER 6 CO -0.10 -0.28 0.14 0.28 0.98 0.00 0.00 173.24 174.25 2qsq s THR 7 N -1.25 -0.22 0.75 2.02 -1.32 0.31 -3.83 115.64 112.10 2qsq s THR 7 Ca 0.48 0.34 -0.12 0.00 -1.21 0.00 0.00 61.69 61.19 2qsq s THR 7 Cb -0.31 -0.28 0.04 0.00 -1.51 0.00 0.00 72.50 70.44 2qsq s THR 7 CO 0.40 0.13 1.10 -2.16 -2.21 0.00 0.00 174.62 171.89 2qsq s PRO 8 N 2.26 2.47 0.19 7.08 0.04 -1.26 -1.29 135.00 144.49 2qsq s PRO 8 Ca 0.04 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.57 2qsq s PRO 8 Cb -0.12 -1.97 0.11 0.00 0.04 0.00 0.00 34.50 32.55 2qsq s PRO 8 CO -0.05 -1.32 1.47 0.35 0.04 0.00 0.00 177.00 177.49 2qsq h PHE 9 N -0.86 0.49 -3.45 0.56 3.57 -1.93 -3.41 116.94 111.91 2qsq h PHE 9 Ca -0.46 -0.21 -0.65 0.00 3.53 0.00 0.00 57.97 60.19 2qsq h PHE 9 Cb 1.27 -0.08 -0.25 0.00 2.79 0.00 0.00 35.95 39.68 2qsq h PHE 9 CO 0.47 0.94 -0.68 -0.80 -2.23 0.00 0.00 178.31 176.00 2qsq s ASN 10 N -6.94 4.65 -0.10 0.41 -0.87 -1.26 -0.76 114.94 110.07 2qsq s ASN 10 Ca -0.05 -0.28 0.03 0.00 -1.57 0.00 0.00 52.86 50.99 2qsq s ASN 10 Cb 0.11 -1.80 -0.01 0.00 -0.02 0.00 0.00 41.25 39.53 2qsq s ASN 10 CO 0.83 0.02 -0.19 -0.69 -2.57 0.00 0.00 177.10 174.50 2qsq s VAL 11 N 1.25 2.53 0.24 1.60 1.01 0.15 -4.96 120.40 122.21 2qsq s VAL 11 Ca 0.03 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 2qsq s VAL 11 Cb -0.15 -2.00 -0.09 0.00 0.00 0.00 0.00 36.38 34.15 2qsq s VAL 11 CO 0.00 0.55 1.22 0.00 0.00 0.00 0.00 175.10 176.88 2qsq s ALA 12 N 0.11 3.46 0.26 5.51 0.00 -1.26 -0.70 121.76 129.15 2qsq s ALA 12 Ca -0.09 1.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 2qsq s ALA 12 Cb -0.15 -3.42 -0.14 0.00 0.00 0.00 0.00 23.12 19.40 2qsq s ALA 12 CO 0.06 -0.41 1.15 0.39 0.00 0.00 0.00 175.76 176.94 2qsq n GLU 13 N 1.94 1.51 0.00 0.00 1.02 0.38 -1.26 120.64 124.22 2qsq n GLU 13 Ca 0.03 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 2qsq n GLU 13 Cb 0.44 -2.01 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 2qsq n GLU 13 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qsq n GLY 14 N 1.54 2.43 0.00 0.62 0.00 0.11 -4.76 105.19 105.14 2qsq n GLY 14 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2qsq n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qsq n LYS 15 N -2.00 2.15 -4.32 1.61 4.76 -0.39 -3.99 118.16 115.98 2qsq n LYS 15 Ca 0.00 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.19 2qsq n LYS 15 Cb 0.00 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.06 2qsq n LYS 15 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2qsq s GLU 16 N 1.32 1.21 0.03 1.97 2.02 -1.26 -0.99 118.70 122.99 2qsq s GLU 16 Ca 0.00 -1.22 0.07 0.00 0.02 0.00 0.00 54.97 53.84 2qsq s GLU 16 Cb 0.00 -1.54 -0.02 0.00 0.10 0.00 0.00 34.13 32.67 2qsq s GLU 16 CO 0.00 0.36 -0.21 0.54 0.02 0.00 0.00 175.26 175.97 2qsq s VAL 17 N -1.14 1.68 -0.25 2.63 0.11 -0.62 -4.62 120.40 118.20 2qsq s VAL 17 Ca 0.09 -1.13 -0.06 0.00 -2.93 0.00 0.00 61.98 57.95 2qsq s VAL 17 Cb -0.10 -1.44 -0.01 0.00 -1.53 0.00 0.00 36.38 33.29 2qsq s VAL 17 CO 0.05 0.27 0.02 -0.22 -3.33 0.00 0.00 175.10 171.89 2qsq s LEU 18 N -1.02 3.28 -0.79 2.54 2.96 -0.41 -1.09 118.68 124.15 2qsq s LEU 18 Ca 0.08 -0.38 -0.22 0.00 -0.22 0.00 0.00 54.13 53.39 2qsq s LEU 18 Cb -0.09 -1.84 0.08 0.00 0.50 0.00 0.00 46.19 44.85 2qsq s LEU 18 CO 0.01 -0.06 1.11 -0.76 -1.32 0.00 0.00 176.35 175.34 2qsq s LEU 19 N 1.54 4.32 0.19 -0.68 1.43 0.11 -0.53 118.68 125.06 2qsq s LEU 19 Ca 0.05 -1.30 -0.30 0.00 -1.03 0.00 0.00 54.13 51.56 2qsq s LEU 19 Cb -0.15 -2.45 -0.08 0.00 0.03 0.00 0.00 46.19 43.54 2qsq s LEU 19 CO 0.00 -1.39 1.11 -0.76 0.23 0.00 0.00 176.35 175.55 2qsq s LEU 20 N 3.98 4.49 -0.17 1.79 1.43 -0.35 -1.53 118.68 128.33 2qsq s LEU 20 Ca 0.30 2.13 -0.03 0.00 -1.03 0.00 0.00 54.13 55.49 2qsq s LEU 20 Cb -0.10 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.49 2qsq s LEU 20 CO 0.02 -0.23 -0.04 -0.69 0.23 0.00 0.00 176.35 175.64 2qsq s VAL 21 N -0.33 3.70 0.16 -1.59 1.01 -1.26 -0.55 120.40 121.53 2qsq s VAL 21 Ca 0.49 -0.42 0.10 0.00 0.00 0.00 0.00 61.98 62.15 2qsq s VAL 21 Cb -0.30 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 2qsq s VAL 21 CO 0.36 0.47 -0.19 -1.00 0.00 0.00 0.00 175.10 174.74 2qsq s HIS 22 N 0.67 2.46 -1.13 5.22 3.76 0.01 -4.80 115.29 121.49 2qsq s HIS 22 Ca -0.02 -0.30 -0.02 0.00 -0.15 0.00 0.00 55.06 54.57 2qsq s HIS 22 Cb -0.15 -1.26 0.00 0.00 1.11 0.00 0.00 32.58 32.29 2qsq s HIS 22 CO 0.02 0.45 0.95 0.09 -0.85 0.00 0.00 174.74 175.40 2qsq n ASN 23 N 0.46 -3.07 -4.72 1.40 5.03 -1.26 -2.05 115.26 111.05 2qsq n ASN 23 Ca -0.14 -0.54 -0.42 0.00 0.87 0.00 0.00 54.58 54.35 2qsq n ASN 23 Cb 0.54 -4.68 -0.03 0.00 -1.02 0.00 0.00 39.78 34.60 2qsq n ASN 23 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2qsq s LEU 24 N -6.16 4.38 0.00 3.41 2.96 -1.26 -3.95 118.68 118.06 2qsq s LEU 24 Ca 0.14 2.45 -0.20 0.00 -0.22 0.00 0.00 54.13 56.30 2qsq s LEU 24 Cb -0.06 -3.60 0.28 0.00 0.50 0.00 0.00 46.19 43.31 2qsq s LEU 24 CO 0.66 -0.67 1.19 -0.81 -1.32 0.00 0.00 176.35 175.40 2qsq n PRO 25 N 3.47 -2.54 -2.90 0.98 -0.04 -1.26 -5.10 135.00 127.61 2qsq n PRO 25 Ca 0.10 -1.88 -0.21 0.00 -0.04 0.00 0.00 63.50 61.48 2qsq n PRO 25 Cb 0.41 -1.56 0.08 0.00 -0.04 0.00 0.00 33.50 32.39 2qsq n PRO 25 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2qsq s GLN 26 N -5.66 2.03 -0.81 0.54 -0.21 -1.26 -4.71 119.66 109.58 2qsq s GLN 26 Ca 0.73 -1.53 -0.04 0.00 0.02 0.00 0.00 55.36 54.55 2qsq s GLN 26 Cb -0.05 -2.54 0.00 0.00 1.00 0.00 0.00 33.01 31.42 2qsq s GLN 26 CO 0.55 -1.12 0.47 0.72 -2.12 0.00 0.00 175.29 173.79 2qsq n HIS 27 N -2.47 -1.30 -3.00 0.91 8.25 -1.26 -4.92 115.22 111.43 2qsq n HIS 27 Ca 0.16 0.41 -0.40 0.00 -0.26 0.00 0.00 57.72 57.63 2qsq n HIS 27 Cb 0.61 -3.06 -0.06 0.00 1.12 0.00 0.00 29.99 28.61 2qsq n HIS 27 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2qsq s LEU 28 N -4.15 4.54 -0.23 2.41 1.43 -1.26 -1.35 118.68 120.07 2qsq s LEU 28 Ca 0.23 1.56 -0.05 0.00 -1.03 0.00 0.00 54.13 54.84 2qsq s LEU 28 Cb -0.10 -3.25 -0.12 0.00 0.03 0.00 0.00 46.19 42.74 2qsq s LEU 28 CO 0.29 0.15 -0.25 0.33 0.23 0.00 0.00 176.35 177.10 2qsq n PHE 29 N 2.01 0.00 -3.20 0.29 7.35 0.26 -4.78 117.46 119.39 2qsq n PHE 29 Ca -0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 2qsq n PHE 29 Cb 0.49 -0.85 0.00 0.00 0.35 0.00 0.00 39.48 39.47 2qsq n PHE 29 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2qsq n GLY 30 N 1.99 -0.83 3.07 7.13 0.00 -1.03 -2.17 105.19 113.35 2qsq n GLY 30 Ca -0.43 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 44.63 2qsq n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qsq s TYR 31 N -3.00 0.97 -0.09 1.61 4.12 -0.08 -1.06 117.35 119.81 2qsq s TYR 31 Ca 0.00 -0.26 -0.01 0.00 0.02 0.00 0.00 57.07 56.83 2qsq s TYR 31 Cb 0.00 -0.60 0.03 0.00 -1.52 0.00 0.00 41.96 39.86 2qsq s TYR 31 CO 0.00 -0.01 -0.04 -1.12 0.02 0.00 0.00 175.55 174.40 2qsq s SER 32 N -0.64 1.86 0.00 2.29 0.01 -0.34 -0.10 113.70 116.78 2qsq s SER 32 Ca 0.02 -0.20 0.03 0.00 1.31 0.00 0.00 55.95 57.11 2qsq s SER 32 Cb -0.06 -0.65 -0.03 0.00 0.21 0.00 0.00 66.02 65.49 2qsq s SER 32 CO 0.00 -0.14 -0.07 0.26 0.41 0.00 0.00 173.24 173.70 2qsq s TRP 33 N 1.76 2.89 0.07 2.43 0.52 -0.49 -0.52 118.94 125.60 2qsq s TRP 33 Ca 0.04 -0.04 0.03 0.00 0.02 0.00 0.00 56.10 56.15 2qsq s TRP 33 Cb -0.13 -1.61 -0.03 0.00 -1.15 0.00 0.00 33.47 30.55 2qsq s TRP 33 CO -0.06 0.37 -0.10 0.71 0.02 0.00 0.00 176.95 177.88 2qsq s TYR 34 N -0.99 0.95 0.12 -1.98 1.51 0.56 -0.16 117.35 117.35 2qsq s TYR 34 Ca 0.17 -0.54 -0.25 0.00 -1.01 0.00 0.00 57.07 55.43 2qsq s TYR 34 Cb -0.11 -0.54 -0.07 0.00 -0.11 0.00 0.00 41.96 41.13 2qsq s TYR 34 CO 0.07 -0.02 0.79 0.21 -1.11 0.00 0.00 175.55 175.49 2qsq s LYS 35 N -2.03 4.55 0.00 -0.62 2.47 -0.70 -1.08 119.74 122.33 2qsq s LYS 35 Ca -0.03 1.14 0.00 0.00 -1.56 0.00 0.00 55.97 55.53 2qsq s LYS 35 Cb -0.08 -3.31 0.00 0.00 -1.46 0.00 0.00 37.83 32.99 2qsq s LYS 35 CO 0.01 0.44 0.00 0.41 0.16 0.00 0.00 175.35 176.37 2qsq n GLY 36 N 1.93 -1.11 0.66 5.54 0.00 0.16 -4.77 105.19 107.60 2qsq n GLY 36 Ca -0.04 -2.13 0.08 0.00 0.00 0.00 0.00 46.02 43.93 2qsq n GLY 36 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qsq n GLU 37 N 0.00 1.47 -4.13 1.61 1.02 -1.26 -3.06 120.64 116.29 2qsq n GLU 37 Ca 0.00 -1.58 -0.11 0.00 -0.02 0.00 0.00 57.16 55.45 2qsq n GLU 37 Cb 0.00 -1.30 -0.09 0.00 -0.02 0.00 0.00 31.44 30.03 2qsq n GLU 37 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2qsq s ARG 38 N -1.20 1.20 -0.10 3.49 1.70 -1.26 -4.96 118.95 117.82 2qsq s ARG 38 Ca 0.21 -1.47 -0.30 0.00 -0.47 0.00 0.00 55.73 53.70 2qsq s ARG 38 Cb 0.13 0.31 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 2qsq s ARG 38 CO 0.19 -0.41 1.45 0.08 -1.08 0.00 0.00 175.30 175.53 2qsq s VAL 39 N -4.09 3.92 -0.30 4.99 1.01 -1.26 -4.87 120.40 119.81 2qsq s VAL 39 Ca 0.31 1.14 0.01 0.00 0.00 0.00 0.00 61.98 63.43 2qsq s VAL 39 Cb 0.05 -3.73 0.19 0.00 0.00 0.00 0.00 36.38 32.89 2qsq s VAL 39 CO 0.08 -0.09 0.59 -0.62 0.00 0.00 0.00 175.10 175.05 2qsq s ASP 40 N 2.58 -1.37 0.49 3.32 -1.08 -1.26 -5.04 116.67 114.30 2qsq s ASP 40 Ca 0.64 0.67 0.26 0.00 -0.52 0.00 0.00 52.55 53.60 2qsq s ASP 40 Cb -0.28 2.09 1.32 0.00 -1.46 0.00 0.00 42.92 44.59 2qsq s ASP 40 CO 0.22 -0.27 1.86 1.23 0.52 0.00 0.00 175.17 178.73 2qsq h GLY 41 N 8.01 0.41 2.00 2.66 0.00 -1.99 0.92 103.07 115.09 2qsq h GLY 41 Ca -0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 2qsq h GLY 41 CO 0.23 -0.02 -0.11 3.43 0.00 0.00 0.00 176.54 180.08 2qsq h ASN 42 N 0.17 0.00 -0.33 0.19 2.35 -2.00 -2.83 115.58 113.12 2qsq h ASN 42 Ca 0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.22 2qsq h ASN 42 Cb 1.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.93 2qsq h ASN 42 CO -0.09 0.11 0.00 0.54 -1.65 0.00 0.00 177.43 176.34 2qsq n ARG 43 N -3.34 3.23 -2.52 0.81 1.74 0.31 -4.51 116.66 112.38 2qsq n ARG 43 Ca -0.01 -2.81 -0.42 0.00 -0.77 0.00 0.00 57.85 53.84 2qsq n ARG 43 Cb 0.31 -1.85 -0.03 0.00 -1.02 0.00 0.00 32.46 29.87 2qsq n ARG 43 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2qsq s GLN 44 N -2.60 4.38 -0.13 5.56 0.74 -1.07 -1.72 119.66 124.83 2qsq s GLN 44 Ca 0.42 1.60 -0.28 0.00 0.05 0.00 0.00 55.36 57.16 2qsq s GLN 44 Cb 0.33 -3.53 -0.27 0.00 1.10 0.00 0.00 33.01 30.64 2qsq s GLN 44 CO 0.11 -0.38 0.79 0.82 -0.55 0.00 0.00 175.29 176.08 2qsq h ILE 45 N 4.98 1.76 -2.02 -2.34 2.04 -0.84 0.88 117.51 121.97 2qsq h ILE 45 Ca -0.34 -2.37 -0.01 0.00 1.00 0.00 0.00 64.86 63.14 2qsq h ILE 45 Cb 1.16 3.37 -0.19 0.00 -0.74 0.00 0.00 36.82 40.43 2qsq h ILE 45 CO 0.86 0.62 0.31 -0.51 0.00 0.00 0.00 178.15 179.43 2qsq s ILE 46 N -2.25 0.00 0.04 -0.67 2.07 -1.19 -1.06 121.20 118.13 2qsq s ILE 46 Ca -0.18 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 59.14 2qsq s ILE 46 Cb -0.03 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.54 2qsq s ILE 46 CO 0.71 0.00 -0.23 -0.83 -1.91 0.00 0.00 174.94 172.68 2qsq s GLY 47 N -1.44 1.23 -0.04 1.50 0.00 0.09 -1.39 107.32 107.26 2qsq s GLY 47 Ca -0.06 -1.13 -0.02 0.00 0.00 0.00 0.00 44.72 43.51 2qsq s GLY 47 CO 0.04 -1.04 0.07 -0.47 0.00 0.00 0.00 173.10 171.70 2qsq s TYR 48 N -0.78 0.01 -0.26 1.90 5.04 0.86 -1.01 117.35 123.10 2qsq s TYR 48 Ca 0.09 0.30 -0.14 0.00 -2.44 0.00 0.00 57.07 54.87 2qsq s TYR 48 Cb -0.09 -0.39 -0.04 0.00 0.35 0.00 0.00 41.96 41.79 2qsq s TYR 48 CO 0.02 -0.18 0.35 0.08 -1.34 0.00 0.00 175.55 174.47 2qsq s VAL 49 N 1.94 5.20 0.10 3.14 1.01 -0.62 -0.91 120.40 130.27 2qsq s VAL 49 Ca 0.02 0.52 -0.20 0.00 0.00 0.00 0.00 61.98 62.32 2qsq s VAL 49 Cb -0.12 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.50 2qsq s VAL 49 CO -0.04 0.18 1.65 0.40 0.00 0.00 0.00 175.10 177.30 2qsq h ILE 50 N 5.34 1.15 -0.25 2.22 2.04 -1.77 -0.15 117.51 126.08 2qsq h ILE 50 Ca -0.33 -0.43 -0.08 0.00 1.00 0.00 0.00 64.86 65.03 2qsq h ILE 50 Cb 1.17 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 2qsq h ILE 50 CO 0.64 0.14 -0.18 1.23 0.00 0.00 0.00 178.15 179.98 2qsq h GLY 51 N 0.18 0.47 -0.42 5.37 0.00 -1.93 -2.93 103.07 103.81 2qsq h GLY 51 Ca 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2qsq h GLY 51 CO -0.01 0.32 -0.54 -1.30 0.00 0.00 0.00 176.54 175.01 2qsq n THR 52 N -4.18 0.00 -2.61 4.70 -2.24 -1.22 -4.99 114.28 103.74 2qsq n THR 52 Ca 0.00 -0.23 -0.18 0.00 -2.27 0.00 0.00 64.05 61.37 2qsq n THR 52 Cb 0.35 1.11 -0.00 0.00 -2.10 0.00 0.00 70.33 69.68 2qsq n THR 52 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qsq n GLN 53 N -0.70 -2.57 -3.60 -0.78 6.02 -0.08 -4.98 117.38 110.70 2qsq n GLN 53 Ca 0.05 0.77 -0.36 0.00 -0.01 0.00 0.00 57.00 57.45 2qsq n GLN 53 Cb 0.31 -5.44 -0.08 0.00 1.02 0.00 0.00 30.24 26.05 2qsq n GLN 53 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2qsq s GLN 54 N -5.24 4.18 -0.14 -1.09 -1.52 -1.17 -4.91 119.66 109.77 2qsq s GLN 54 Ca 0.09 -0.08 -0.06 0.00 -1.95 0.00 0.00 55.36 53.36 2qsq s GLN 54 Cb -0.04 -3.47 -0.04 0.00 -0.22 0.00 0.00 33.01 29.24 2qsq s GLN 54 CO 0.11 0.16 0.06 0.00 -0.25 0.00 0.00 175.29 175.38 2qsq s ALA 55 N 0.73 3.49 -0.07 6.09 0.00 -1.26 -1.58 121.76 129.16 2qsq s ALA 55 Ca 0.12 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.36 2qsq s ALA 55 Cb -0.13 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 21.20 2qsq s ALA 55 CO 0.03 0.41 -0.10 0.99 0.00 0.00 0.00 175.76 177.09 2qsq s THR 56 N -0.35 0.98 0.39 0.00 2.01 -0.18 -4.98 115.64 113.52 2qsq s THR 56 Ca 0.09 -0.37 -0.27 0.00 0.31 0.00 0.00 61.69 61.45 2qsq s THR 56 Cb -0.12 -0.92 -0.10 0.00 0.01 0.00 0.00 72.50 71.37 2qsq s THR 56 CO 0.02 0.32 1.43 -2.16 -0.69 0.00 0.00 174.62 173.54 2qsq s PRO 57 N 0.84 4.03 0.38 4.92 0.04 -1.26 -0.73 135.00 143.21 2qsq s PRO 57 Ca -0.12 2.45 0.05 0.00 0.04 0.00 0.00 61.00 63.43 2qsq s PRO 57 Cb -0.15 -2.89 0.07 0.00 0.04 0.00 0.00 34.50 31.57 2qsq s PRO 57 CO 0.02 -0.55 0.52 0.41 0.04 0.00 0.00 177.00 177.43 2qsq n GLY 58 N 0.55 1.76 0.41 0.56 0.00 -0.22 -4.84 105.19 103.41 2qsq n GLY 58 Ca 0.02 -2.16 0.22 0.00 0.00 0.00 0.00 46.02 44.10 2qsq n GLY 58 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qsq h PRO 59 N 0.00 0.17 -0.43 1.61 0.11 -1.64 -2.35 132.00 129.47 2qsq h PRO 59 Ca -0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2qsq h PRO 59 Cb 0.78 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2qsq h PRO 59 CO 0.24 0.11 0.00 0.00 -0.21 0.00 0.00 178.00 178.14 2qsq n ALA 60 N -2.61 2.44 -1.72 -0.75 0.00 0.24 -4.97 120.51 113.14 2qsq n ALA 60 Ca 0.16 -0.89 -0.43 0.00 0.00 0.00 0.00 53.44 52.28 2qsq n ALA 60 Cb 0.74 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 19.20 2qsq n ALA 60 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2qsq n TYR 61 N 1.08 2.70 0.28 0.00 9.36 -0.89 -4.71 117.16 124.99 2qsq n TYR 61 Ca 0.18 0.15 0.08 0.00 3.32 0.00 0.00 57.90 61.64 2qsq n TYR 61 Cb 0.49 -2.62 -0.12 0.00 -0.63 0.00 0.00 39.34 36.45 2qsq n TYR 61 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 2qsq n SER 62 N 3.26 1.01 0.00 2.98 3.41 -1.26 -4.98 113.62 118.04 2qsq n SER 62 Ca 0.14 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 2qsq n SER 62 Cb 0.34 1.48 0.00 0.00 -0.26 0.00 0.00 64.21 65.78 2qsq n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qsq n GLY 63 N 1.49 0.79 0.59 5.00 0.00 -1.26 -4.91 105.19 106.89 2qsq n GLY 63 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 2qsq n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qsq n ARG 64 N -2.23 1.36 -3.55 1.61 1.74 -1.26 -5.02 116.66 109.31 2qsq n ARG 64 Ca 0.00 -1.51 -0.32 0.00 -0.77 0.00 0.00 57.85 55.24 2qsq n ARG 64 Cb 0.00 -1.27 -0.05 0.00 -1.02 0.00 0.00 32.46 30.12 2qsq n ARG 64 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2qsq s GLU 65 N -1.09 3.72 -0.08 5.56 1.03 -1.26 -1.51 118.70 125.07 2qsq s GLU 65 Ca 0.19 0.11 0.00 0.00 0.03 0.00 0.00 54.97 55.30 2qsq s GLU 65 Cb 0.12 -2.81 0.02 0.00 -0.80 0.00 0.00 34.13 30.66 2qsq s GLU 65 CO 0.17 0.44 -0.07 0.42 -1.33 0.00 0.00 175.26 174.89 2qsq s ILE 66 N -1.65 0.86 -0.04 1.83 1.01 0.35 -4.99 121.20 118.57 2qsq s ILE 66 Ca 0.41 -0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.75 2qsq s ILE 66 Cb -0.12 -0.88 -0.05 0.00 0.01 0.00 0.00 42.46 41.43 2qsq s ILE 66 CO 0.22 0.32 0.24 -0.51 0.00 0.00 0.00 174.94 175.21 2qsq s ILE 67 N 1.37 5.34 0.25 2.92 2.07 -1.26 -0.72 121.20 131.18 2qsq s ILE 67 Ca -0.02 0.26 0.08 0.00 -1.41 0.00 0.00 60.65 59.55 2qsq s ILE 67 Cb -0.14 -3.53 -0.04 0.00 0.13 0.00 0.00 42.46 38.89 2qsq s ILE 67 CO -0.04 0.48 0.12 -0.31 -1.91 0.00 0.00 174.94 173.29 2qsq s TYR 68 N -1.18 2.97 0.62 3.50 2.02 -0.11 -5.01 117.35 120.16 2qsq s TYR 68 Ca 0.23 -0.15 0.36 0.00 -0.37 0.00 0.00 57.07 57.14 2qsq s TYR 68 Cb -0.13 -1.33 2.07 0.00 -0.40 0.00 0.00 41.96 42.17 2qsq s TYR 68 CO 0.12 0.56 2.31 -1.35 -1.57 0.00 0.00 175.55 175.61 2qsq h PRO 69 N 1.65 0.00 -0.64 -1.71 0.11 -2.00 -0.45 132.00 128.96 2qsq h PRO 69 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2qsq h PRO 69 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2qsq h PRO 69 CO 0.61 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.67 2qsq n ASN 70 N -3.55 4.47 0.00 -2.05 6.94 -1.26 -4.94 115.26 114.88 2qsq n ASN 70 Ca -0.03 -2.52 0.00 0.00 -0.02 0.00 0.00 54.58 52.01 2qsq n ASN 70 Cb 0.08 -0.58 0.00 0.00 -2.36 0.00 0.00 39.78 36.92 2qsq n ASN 70 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qsq n ALA 71 N 0.82 0.00 -1.75 -2.53 0.00 -0.18 -4.75 120.51 112.13 2qsq n ALA 71 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.29 2qsq n ALA 71 Cb 0.88 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.37 2qsq n ALA 71 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2qsq s SER 72 N -3.42 5.23 -0.10 0.00 0.01 -1.26 -4.68 113.70 109.48 2qsq s SER 72 Ca 0.00 2.66 0.01 0.00 1.31 0.00 0.00 55.95 59.92 2qsq s SER 72 Cb 0.00 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.62 2qsq s SER 72 CO 0.00 -1.59 -0.10 -0.22 0.41 0.00 0.00 173.24 171.75 2qsq s LEU 73 N -3.68 1.38 -0.12 2.44 2.96 -0.58 -0.93 118.68 120.15 2qsq s LEU 73 Ca 0.73 -0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 54.27 2qsq s LEU 73 Cb -0.38 -0.84 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 2qsq s LEU 73 CO 0.43 -0.06 0.11 -0.22 -1.32 0.00 0.00 176.35 175.30 2qsq s LEU 74 N 1.30 4.23 -0.12 -0.68 2.96 0.11 0.09 118.68 126.57 2qsq s LEU 74 Ca -0.02 0.39 0.02 0.00 -0.22 0.00 0.00 54.13 54.30 2qsq s LEU 74 Cb -0.14 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.54 2qsq s LEU 74 CO -0.04 0.39 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.56 2qsq s ILE 75 N -0.91 1.83 0.37 6.68 1.01 -0.25 -0.49 121.20 129.43 2qsq s ILE 75 Ca 0.14 -0.84 0.07 0.00 0.00 0.00 0.00 60.65 60.02 2qsq s ILE 75 Cb -0.12 -1.63 -0.00 0.00 0.01 0.00 0.00 42.46 40.72 2qsq s ILE 75 CO 0.03 0.51 0.52 -1.10 0.00 0.00 0.00 174.94 174.90 2qsq s GLN 76 N 0.85 3.00 -1.32 2.79 -0.21 -0.57 -1.58 119.66 122.62 2qsq s GLN 76 Ca -0.08 -1.08 -0.11 0.00 0.02 0.00 0.00 55.36 54.11 2qsq s GLN 76 Cb -0.15 -2.79 0.01 0.00 1.00 0.00 0.00 33.01 31.07 2qsq s GLN 76 CO -0.01 -0.08 0.50 0.09 -2.12 0.00 0.00 175.29 173.67 2qsq n ASN 77 N -1.74 -2.05 -4.77 5.90 3.02 -0.69 -4.82 115.26 110.11 2qsq n ASN 77 Ca 0.03 -1.09 -0.41 0.00 -0.03 0.00 0.00 54.58 53.08 2qsq n ASN 77 Cb 0.58 -2.72 0.00 0.00 -0.61 0.00 0.00 39.78 37.04 2qsq n ASN 77 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2qsq n ILE 78 N -4.48 2.19 -4.53 2.41 2.08 -0.17 -4.61 119.36 112.26 2qsq n ILE 78 Ca -0.23 -0.50 -0.26 0.00 0.56 0.00 0.00 62.75 62.33 2qsq n ILE 78 Cb 0.64 -1.95 -0.10 0.00 -0.75 0.00 0.00 39.64 37.48 2qsq n ILE 78 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 2qsq s ILE 79 N -1.14 2.26 0.38 1.39 -4.36 -1.26 0.07 121.20 118.55 2qsq s ILE 79 Ca 0.55 -2.23 0.10 0.00 -0.26 0.00 0.00 60.65 58.81 2qsq s ILE 79 Cb -0.47 -2.60 0.32 0.00 1.25 0.00 0.00 42.46 40.96 2qsq s ILE 79 CO 0.62 -0.23 1.91 1.56 0.24 0.00 0.00 174.94 179.04 2qsq h GLN 80 N 2.05 0.60 0.00 0.37 1.08 -1.96 -1.02 115.11 116.23 2qsq h GLN 80 Ca -0.42 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 56.74 2qsq h GLN 80 Cb 1.25 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 28.54 2qsq h GLN 80 CO 0.69 0.40 -0.01 -0.97 -0.95 0.00 0.00 178.83 177.99 2qsq h ASN 81 N 0.62 0.00 0.60 1.46 -1.24 -2.00 -1.83 115.58 113.20 2qsq h ASN 81 Ca 0.39 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.35 2qsq h ASN 81 Cb 0.64 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.68 2qsq h ASN 81 CO -0.15 0.01 -0.25 0.44 -1.29 0.00 0.00 177.43 176.19 2qsq h ASP 82 N 0.00 0.00 -3.50 1.15 3.32 -1.59 -3.45 116.42 112.34 2qsq h ASP 82 Ca -0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 2qsq h ASP 82 Cb 0.13 0.00 0.14 0.00 0.22 0.00 0.00 39.33 39.82 2qsq h ASP 82 CO 0.00 0.25 0.34 0.00 -1.72 0.00 0.00 179.24 178.12 2qsq n ALA 83 N -2.31 0.81 0.00 3.45 0.00 -0.69 -4.84 120.51 116.93 2qsq n ALA 83 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2qsq n ALA 83 Cb 0.38 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.63 2qsq n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qsq n GLY 84 N 1.00 0.88 3.89 0.00 0.00 -0.76 -5.02 105.19 105.19 2qsq n GLY 84 Ca 0.09 -1.93 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 2qsq n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qsq s PHE 85 N -2.53 3.51 -0.03 1.61 0.40 -1.26 -2.20 117.98 117.48 2qsq s PHE 85 Ca 0.00 0.64 0.02 0.00 -0.60 0.00 0.00 56.93 56.99 2qsq s PHE 85 Cb 0.00 -2.06 0.01 0.00 0.51 0.00 0.00 43.02 41.48 2qsq s PHE 85 CO 0.00 0.47 -0.07 0.71 0.70 0.00 0.00 175.22 177.03 2qsq s TYR 86 N -1.56 0.80 -0.07 0.36 1.51 -0.21 0.37 117.35 118.56 2qsq s TYR 86 Ca 0.38 -0.20 0.05 0.00 -1.01 0.00 0.00 57.07 56.29 2qsq s TYR 86 Cb -0.13 -0.60 -0.01 0.00 -0.11 0.00 0.00 41.96 41.11 2qsq s TYR 86 CO 0.22 -0.11 -0.22 0.99 -1.11 0.00 0.00 175.55 175.31 2qsq s THR 87 N 0.36 1.87 -0.16 -0.71 2.01 -0.24 -0.95 115.64 117.82 2qsq s THR 87 Ca -0.05 -0.95 -0.05 0.00 0.31 0.00 0.00 61.69 60.95 2qsq s THR 87 Cb -0.09 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 2qsq s THR 87 CO 0.00 0.52 0.02 -0.22 -0.69 0.00 0.00 174.62 174.26 2qsq s LEU 88 N 0.05 3.61 -0.20 4.42 2.96 -0.07 -0.33 118.68 129.11 2qsq s LEU 88 Ca -0.08 0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 53.82 2qsq s LEU 88 Cb -0.14 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 2qsq s LEU 88 CO 0.05 0.21 -0.04 -2.28 -1.32 0.00 0.00 176.35 172.97 2qsq s HIS 89 N 0.15 2.97 -0.29 5.38 5.65 0.33 -1.73 115.29 127.75 2qsq s HIS 89 Ca 0.02 -0.73 -0.11 0.00 0.25 0.00 0.00 55.06 54.50 2qsq s HIS 89 Cb -0.13 -2.07 -0.04 0.00 -1.18 0.00 0.00 32.58 29.17 2qsq s HIS 89 CO 0.01 -0.40 0.18 0.14 -0.65 0.00 0.00 174.74 174.02 2qsq s VAL 90 N 1.19 5.08 -0.23 0.89 -7.23 0.84 -1.20 120.40 119.73 2qsq s VAL 90 Ca 0.02 -0.02 -0.16 0.00 -1.81 0.00 0.00 61.98 60.01 2qsq s VAL 90 Cb -0.14 -3.47 -0.04 0.00 0.56 0.00 0.00 36.38 33.29 2qsq s VAL 90 CO -0.00 0.19 0.39 -0.63 -0.31 0.00 0.00 175.10 174.74 2qsq s ILE 91 N 1.71 5.19 0.16 -0.62 -1.09 -0.23 -1.95 121.20 124.37 2qsq s ILE 91 Ca 0.06 0.67 0.09 0.00 -2.23 0.00 0.00 60.65 59.24 2qsq s ILE 91 Cb -0.16 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 2qsq s ILE 91 CO 0.09 0.21 -0.11 -0.54 -1.23 0.00 0.00 174.94 173.37 2qsq s LYS 92 N 1.60 2.03 0.61 2.79 1.02 -1.26 -0.58 119.74 125.95 2qsq s LYS 92 Ca 0.18 -1.21 0.32 0.00 0.02 0.00 0.00 55.97 55.28 2qsq s LYS 92 Cb -0.15 -2.18 1.93 0.00 -0.52 0.00 0.00 37.83 36.91 2qsq s LYS 92 CO 0.08 0.46 2.27 0.66 -0.92 0.00 0.00 175.35 177.90 2qsq h SER 93 N 3.16 0.00 -0.20 2.83 4.64 -1.52 -0.22 113.55 122.25 2qsq h SER 93 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2qsq h SER 93 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2qsq h SER 93 CO 0.53 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.59 2qsq n ASP 94 N -3.70 2.45 -1.41 4.97 3.85 -1.26 -4.94 116.55 116.51 2qsq n ASP 94 Ca -0.03 -1.82 -0.18 0.00 -0.71 0.00 0.00 54.79 52.05 2qsq n ASP 94 Cb 0.09 -0.12 -0.08 0.00 -1.35 0.00 0.00 41.12 39.66 2qsq n ASP 94 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 2qsq n LEU 95 N 0.86 -1.21 -3.87 -2.12 4.32 -0.09 -4.87 117.00 110.01 2qsq n LEU 95 Ca 0.17 0.45 -0.42 0.00 -0.02 0.00 0.00 56.01 56.19 2qsq n LEU 95 Cb 0.47 -2.79 0.00 0.00 -1.62 0.00 0.00 43.42 39.48 2qsq n LEU 95 CO 0.15 -1.07 2.05 0.52 -1.22 0.00 0.00 177.39 177.82 2qsq n VAL 96 N -2.32 4.20 -2.61 4.08 0.31 -1.26 -4.95 118.33 115.78 2qsq n VAL 96 Ca -0.18 -4.18 -0.37 0.00 -0.01 0.00 0.00 64.34 59.60 2qsq n VAL 96 Cb 0.65 -2.40 -0.05 0.00 -0.91 0.00 0.00 33.84 31.14 2qsq n VAL 96 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2qsq s ASN 97 N 1.33 6.91 0.09 4.52 0.01 -1.26 -4.75 114.94 121.79 2qsq s ASN 97 Ca 0.41 1.98 0.09 0.00 -0.71 0.00 0.00 52.86 54.63 2qsq s ASN 97 Cb 0.10 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 2qsq s ASN 97 CO -0.01 -0.38 -0.21 -1.61 -1.51 0.00 0.00 177.10 173.37 2qsq s GLU 98 N -2.41 1.77 -0.00 -0.60 2.02 -0.82 -4.95 118.70 113.71 2qsq s GLU 98 Ca 0.56 -1.16 0.04 0.00 0.02 0.00 0.00 54.97 54.43 2qsq s GLU 98 Cb -0.21 -2.06 -0.01 0.00 0.10 0.00 0.00 34.13 31.95 2qsq s GLU 98 CO 0.26 0.49 -0.14 -2.00 0.02 0.00 0.00 175.26 173.90 2qsq s GLU 99 N -1.81 1.09 0.07 1.61 2.12 -1.26 -0.12 118.70 120.40 2qsq s GLU 99 Ca 0.15 -0.55 -0.07 0.00 0.36 0.00 0.00 54.97 54.86 2qsq s GLU 99 Cb -0.10 -1.07 -0.01 0.00 0.26 0.00 0.00 34.13 33.21 2qsq s GLU 99 CO 0.07 0.29 0.14 0.00 -0.54 0.00 0.00 175.26 175.22 2qsq s ALA 100 N -0.43 -0.12 -0.02 6.30 0.00 -0.71 -4.89 121.76 121.88 2qsq s ALA 100 Ca 0.05 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.42 2qsq s ALA 100 Cb -0.06 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 2qsq s ALA 100 CO -0.00 -0.43 -0.13 0.99 0.00 0.00 0.00 175.76 176.19 2qsq s THR 101 N -3.41 1.07 0.36 0.00 2.01 -1.26 -0.90 115.64 113.51 2qsq s THR 101 Ca 0.02 -0.56 0.04 0.00 0.31 0.00 0.00 61.69 61.49 2qsq s THR 101 Cb 0.03 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 2qsq s THR 101 CO -0.08 0.31 0.13 0.61 -0.69 0.00 0.00 174.62 174.89 2qsq n GLY 102 N 2.93 3.35 3.32 4.40 0.00 -0.12 -4.50 105.19 114.55 2qsq n GLY 102 Ca -0.16 -2.09 -0.11 0.00 0.00 0.00 0.00 46.02 43.66 2qsq n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2qsq s GLN 103 N -3.36 1.05 0.14 1.61 -2.07 -1.26 -1.05 119.66 114.72 2qsq s GLN 103 Ca 0.18 -0.68 -0.07 0.00 -1.82 0.00 0.00 55.36 52.97 2qsq s GLN 103 Cb 0.01 0.46 -0.01 0.00 -1.09 0.00 0.00 33.01 32.38 2qsq s GLN 103 CO 0.13 -0.41 0.21 -0.59 -1.32 0.00 0.00 175.29 173.31 2qsq s PHE 104 N -3.69 0.44 0.26 9.60 -0.71 -0.94 -4.48 117.98 118.46 2qsq s PHE 104 Ca 0.02 -0.82 0.12 0.00 -1.04 0.00 0.00 56.93 55.20 2qsq s PHE 104 Cb 0.02 -0.15 -0.05 0.00 -1.21 0.00 0.00 43.02 41.63 2qsq s PHE 104 CO -0.11 -0.64 -0.18 1.03 -1.34 0.00 0.00 175.22 173.98 2qsq s ARG 105 N -3.96 1.72 0.01 1.99 0.52 0.06 -1.83 118.95 117.47 2qsq s ARG 105 Ca 0.16 -1.68 0.08 0.00 -0.52 0.00 0.00 55.73 53.76 2qsq s ARG 105 Cb 0.05 -1.83 -0.02 0.00 0.52 0.00 0.00 34.95 33.66 2qsq s ARG 105 CO -0.02 0.35 -0.23 0.08 0.02 0.00 0.00 175.30 175.49 2qsq s VAL 106 N -2.33 1.86 0.04 3.52 1.01 -1.26 0.31 120.40 123.55 2qsq s VAL 106 Ca 0.28 -1.15 0.04 0.00 0.00 0.00 0.00 61.98 61.16 2qsq s VAL 106 Cb -0.06 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 2qsq s VAL 106 CO 0.15 0.39 -0.12 -0.72 0.00 0.00 0.00 175.10 174.80 2qsq s TYR 107 N -0.68 1.04 0.67 5.22 -0.85 0.13 -4.87 117.35 118.01 2qsq s TYR 107 Ca 0.09 -0.39 -0.12 0.00 -0.52 0.00 0.00 57.07 56.13 2qsq s TYR 107 Cb -0.09 -0.61 0.00 0.00 0.38 0.00 0.00 41.96 41.64 2qsq s TYR 107 CO 0.01 0.01 1.07 -1.25 -1.52 0.00 0.00 175.55 173.86 2qsq s PRO 108 N -1.28 2.95 0.14 -3.49 0.04 -1.26 -0.47 135.00 131.63 2qsq s PRO 108 Ca -0.02 1.08 0.09 0.00 0.04 0.00 0.00 61.00 62.19 2qsq s PRO 108 Cb -0.08 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 2qsq s PRO 108 CO 0.01 -1.09 -0.16 -1.21 0.04 0.00 0.00 177.00 174.58 2qsq s GLU 109 N -4.69 1.83 0.00 4.56 2.02 -1.26 -4.81 118.70 116.35 2qsq s GLU 109 Ca 0.60 -1.23 0.00 0.00 0.02 0.00 0.00 54.97 54.37 2qsq s GLU 109 Cb -0.15 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 31.97 2qsq s GLU 109 CO 0.49 0.46 0.00 1.28 0.02 0.00 0.00 175.26 177.51