#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 4.02 0.18 0.00 -2.85 -1.26 -4.95 119.74 114.88 2qsq s LYS 1 Ca 0.00 0.82 -0.33 0.00 -1.00 0.00 0.00 55.97 55.46 2qsq s LYS 1 Cb 0.00 -2.30 -0.13 0.00 -2.06 0.00 0.00 37.83 33.34 2qsq s LYS 1 CO 0.00 -0.00 1.69 -0.11 0.10 0.00 0.00 175.35 177.02 2qsq n LEU 2 N -0.81 3.67 -3.85 2.77 7.94 -1.26 -4.65 117.00 120.81 2qsq n LEU 2 Ca 0.05 1.06 -0.12 0.00 -1.11 0.00 0.00 56.01 55.89 2qsq n LEU 2 Cb 0.54 -1.51 -0.12 0.00 0.53 0.00 0.00 43.42 42.85 2qsq n LEU 2 CO 0.42 0.01 -0.23 0.42 -1.11 0.00 0.00 177.39 176.90 2qsq s THR 3 N 1.29 0.02 -0.16 1.96 -4.23 -0.51 -4.84 115.64 109.16 2qsq s THR 3 Ca 0.77 -0.17 -0.08 0.00 -1.18 0.00 0.00 61.69 61.03 2qsq s THR 3 Cb -0.57 -0.22 -0.04 0.00 1.34 0.00 0.00 72.50 73.01 2qsq s THR 3 CO 0.35 -0.09 0.12 -0.63 -0.54 0.00 0.00 174.62 173.83 2qsq s ILE 4 N -0.26 5.31 -0.26 2.99 -1.09 -1.26 -0.47 121.20 126.17 2qsq s ILE 4 Ca -0.03 0.15 0.02 0.00 -2.23 0.00 0.00 60.65 58.55 2qsq s ILE 4 Cb -0.02 -3.37 0.07 0.00 -1.58 0.00 0.00 42.46 37.55 2qsq s ILE 4 CO 0.00 0.51 -0.06 -0.70 -1.23 0.00 0.00 174.94 173.47 2qsq s GLU 5 N -0.18 1.80 0.10 2.79 2.12 0.07 -4.78 118.70 120.62 2qsq s GLU 5 Ca 0.10 -1.21 -0.31 0.00 0.36 0.00 0.00 54.97 53.91 2qsq s GLU 5 Cb -0.12 -2.74 -0.08 0.00 0.26 0.00 0.00 34.13 31.46 2qsq s GLU 5 CO 0.01 -0.63 1.47 0.45 -0.54 0.00 0.00 175.26 176.01 2qsq s SER 6 N 1.25 6.75 -0.22 -1.70 0.15 -1.26 -0.48 113.70 118.19 2qsq s SER 6 Ca -0.05 2.37 -0.02 0.00 0.70 0.00 0.00 55.95 58.95 2qsq s SER 6 Cb -0.19 -2.58 0.07 0.00 -1.71 0.00 0.00 66.02 61.60 2qsq s SER 6 CO -0.07 -0.73 0.04 0.42 1.20 0.00 0.00 173.24 174.10 2qsq s THR 7 N 1.56 0.60 0.69 6.45 -4.23 0.66 -3.35 115.64 118.01 2qsq s THR 7 Ca 0.67 -0.72 -0.11 0.00 -1.18 0.00 0.00 61.69 60.35 2qsq s THR 7 Cb -0.38 -1.16 0.00 0.00 1.34 0.00 0.00 72.50 72.31 2qsq s THR 7 CO 0.30 -0.29 1.07 -2.16 -0.54 0.00 0.00 174.62 173.01 2qsq s PRO 8 N 1.81 3.02 0.20 3.99 0.04 -1.26 -0.98 135.00 141.82 2qsq s PRO 8 Ca 0.01 0.61 0.02 0.00 0.04 0.00 0.00 61.00 61.67 2qsq s PRO 8 Cb -0.17 -2.03 0.14 0.00 0.04 0.00 0.00 34.50 32.48 2qsq s PRO 8 CO -0.11 -0.95 1.49 0.35 0.04 0.00 0.00 177.00 177.81 2qsq h PHE 9 N -0.60 0.41 -3.60 0.56 3.04 -1.91 -3.41 116.94 111.45 2qsq h PHE 9 Ca -0.45 -0.18 -0.70 0.00 3.98 0.00 0.00 57.97 60.63 2qsq h PHE 9 Cb 1.23 -0.07 -0.29 0.00 2.56 0.00 0.00 35.95 39.38 2qsq h PHE 9 CO 0.56 0.90 -0.57 -0.80 -2.02 0.00 0.00 178.31 176.38 2qsq s ASN 10 N -6.93 5.37 -0.14 0.41 -0.87 -1.26 -0.71 114.94 110.82 2qsq s ASN 10 Ca -0.05 -1.36 -0.04 0.00 -1.57 0.00 0.00 52.86 49.84 2qsq s ASN 10 Cb 0.11 -1.89 -0.03 0.00 -0.02 0.00 0.00 41.25 39.42 2qsq s ASN 10 CO 0.82 -0.41 -0.00 -0.69 -2.57 0.00 0.00 177.10 174.25 2qsq s VAL 11 N 1.37 4.24 0.12 1.60 1.01 0.17 -4.94 120.40 123.96 2qsq s VAL 11 Ca 0.01 -0.24 -0.31 0.00 0.00 0.00 0.00 61.98 61.44 2qsq s VAL 11 Cb -0.21 -2.85 -0.07 0.00 0.00 0.00 0.00 36.38 33.25 2qsq s VAL 11 CO 0.02 0.52 1.25 0.00 0.00 0.00 0.00 175.10 176.88 2qsq s ALA 12 N -0.01 3.46 0.05 5.51 0.00 -1.26 -0.96 121.76 128.55 2qsq s ALA 12 Ca 0.03 0.96 -0.37 0.00 0.00 0.00 0.00 51.96 52.57 2qsq s ALA 12 Cb -0.13 -3.46 -0.19 0.00 0.00 0.00 0.00 23.12 19.34 2qsq s ALA 12 CO 0.02 -0.46 1.03 -1.91 0.00 0.00 0.00 175.76 174.44 2qsq n GLU 13 N 3.46 0.24 0.00 0.00 2.13 -0.16 -0.76 120.64 125.55 2qsq n GLU 13 Ca 0.08 0.09 0.00 0.00 0.66 0.00 0.00 57.16 57.99 2qsq n GLU 13 Cb 0.45 -1.53 0.00 0.00 0.27 0.00 0.00 31.44 30.62 2qsq n GLU 13 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qsq n GLY 14 N 1.74 2.48 0.00 8.31 0.00 0.16 -4.91 105.19 112.97 2qsq n GLY 14 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 1.62 -4.45 1.61 4.76 0.06 -4.13 118.16 115.64 2qsq n LYS 15 Ca 0.00 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.21 2qsq n LYS 15 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 2qsq n LYS 15 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2qsq s GLU 16 N 0.28 1.63 0.02 1.97 -1.05 -1.26 -0.93 118.70 119.36 2qsq s GLU 16 Ca 0.00 -1.74 0.04 0.00 -0.15 0.00 0.00 54.97 53.12 2qsq s GLU 16 Cb 0.00 -1.68 -0.01 0.00 -0.44 0.00 0.00 34.13 32.00 2qsq s GLU 16 CO 0.00 0.31 -0.11 0.54 0.95 0.00 0.00 175.26 176.95 2qsq s VAL 17 N -2.56 0.88 -0.19 1.83 0.11 -0.63 -4.61 120.40 115.24 2qsq s VAL 17 Ca 0.29 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 58.62 2qsq s VAL 17 Cb -0.04 -0.78 0.02 0.00 -1.53 0.00 0.00 36.38 34.04 2qsq s VAL 17 CO 0.14 0.07 -0.18 -0.22 -3.33 0.00 0.00 175.10 171.58 2qsq s LEU 18 N -0.73 2.23 -0.53 2.54 2.96 -0.15 -1.37 118.68 123.63 2qsq s LEU 18 Ca 0.01 -0.62 -0.20 0.00 -0.22 0.00 0.00 54.13 53.10 2qsq s LEU 18 Cb -0.06 -1.51 0.06 0.00 0.50 0.00 0.00 46.19 45.18 2qsq s LEU 18 CO 0.00 -0.00 0.72 -0.76 -1.32 0.00 0.00 176.35 174.99 2qsq s LEU 19 N 1.31 4.77 0.41 -0.68 1.43 0.26 -0.25 118.68 125.93 2qsq s LEU 19 Ca 0.05 -0.82 -0.23 0.00 -1.03 0.00 0.00 54.13 52.10 2qsq s LEU 19 Cb -0.13 -2.53 -0.09 0.00 0.03 0.00 0.00 46.19 43.47 2qsq s LEU 19 CO -0.12 -1.01 1.02 -0.76 0.23 0.00 0.00 176.35 175.71 2qsq s LEU 20 N 3.01 4.09 -0.22 1.79 1.02 0.36 -2.07 118.68 126.65 2qsq s LEU 20 Ca 0.19 1.95 0.02 0.00 0.02 0.00 0.00 54.13 56.31 2qsq s LEU 20 Cb -0.18 -4.27 0.04 0.00 0.02 0.00 0.00 46.19 41.81 2qsq s LEU 20 CO 0.13 -0.47 -0.14 -0.69 0.02 0.00 0.00 176.35 175.20 2qsq s VAL 21 N -1.77 2.05 -0.06 -1.59 1.01 -1.26 -0.75 120.40 118.03 2qsq s VAL 21 Ca 0.59 -1.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 2qsq s VAL 21 Cb -0.19 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 2qsq s VAL 21 CO 0.24 0.19 0.08 -1.00 0.00 0.00 0.00 175.10 174.61 2qsq s HIS 22 N 1.21 3.34 -0.80 5.22 3.76 0.38 -4.66 115.29 123.74 2qsq s HIS 22 Ca -0.03 0.29 -0.03 0.00 -0.15 0.00 0.00 55.06 55.14 2qsq s HIS 22 Cb -0.17 -1.81 0.00 0.00 1.11 0.00 0.00 32.58 31.72 2qsq s HIS 22 CO -0.08 0.58 0.69 0.09 -0.85 0.00 0.00 174.74 175.16 2qsq n ASN 23 N 1.65 -3.37 -4.74 1.40 5.03 -1.26 -1.43 115.26 112.54 2qsq n ASN 23 Ca -0.16 -0.36 -0.42 0.00 0.87 0.00 0.00 54.58 54.50 2qsq n ASN 23 Cb 0.54 -3.38 -0.01 0.00 -1.02 0.00 0.00 39.78 35.91 2qsq n ASN 23 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2qsq n LEU 24 N -3.15 4.22 -4.69 3.41 4.77 -1.26 -4.14 117.00 116.16 2qsq n LEU 24 Ca -0.09 1.17 -0.30 0.00 -0.03 0.00 0.00 56.01 56.77 2qsq n LEU 24 Cb 0.57 -1.57 0.15 0.00 -2.33 0.00 0.00 43.42 40.25 2qsq n LEU 24 CO 0.40 -0.00 0.65 -2.84 -1.33 0.00 0.00 177.39 174.27 2qsq s PRO 25 N -1.08 1.04 0.55 3.23 0.02 -1.26 -5.04 135.00 132.47 2qsq s PRO 25 Ca 0.61 0.88 -0.08 0.00 0.02 0.00 0.00 61.00 62.43 2qsq s PRO 25 Cb -0.52 -1.78 -0.03 0.00 0.02 0.00 0.00 34.50 32.19 2qsq s PRO 25 CO 0.54 -2.40 0.90 -0.65 -0.33 0.00 0.00 177.00 175.06 2qsq s GLN 26 N -4.87 3.48 -0.38 5.54 -0.21 -1.26 -4.75 119.66 117.21 2qsq s GLN 26 Ca 0.64 0.39 -0.04 0.00 0.02 0.00 0.00 55.36 56.37 2qsq s GLN 26 Cb -0.19 -2.24 0.00 0.00 1.00 0.00 0.00 33.01 31.58 2qsq s GLN 26 CO 0.58 -0.42 0.41 0.72 -2.12 0.00 0.00 175.29 174.46 2qsq n HIS 27 N -2.50 -1.97 -4.46 0.91 8.25 -1.26 -4.87 115.22 109.32 2qsq n HIS 27 Ca 0.03 0.77 -0.30 0.00 -0.26 0.00 0.00 57.72 57.96 2qsq n HIS 27 Cb 0.55 -3.11 -0.12 0.00 1.12 0.00 0.00 29.99 28.43 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 -2.76 2.75 -0.17 2.41 1.43 -1.26 -0.89 118.68 120.20 2qsq s LEU 28 Ca 0.06 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 52.62 2qsq s LEU 28 Cb -0.02 -1.60 -0.22 0.00 0.03 0.00 0.00 46.19 44.38 2qsq s LEU 28 CO 0.47 0.22 0.22 0.33 0.23 0.00 0.00 176.35 177.82 2qsq n PHE 29 N 1.17 0.99 -3.48 0.29 7.35 0.95 -4.56 117.46 120.17 2qsq n PHE 29 Ca -0.15 0.27 0.00 0.00 -0.76 0.00 0.00 57.45 56.81 2qsq n PHE 29 Cb 0.52 -1.12 0.00 0.00 0.35 0.00 0.00 39.48 39.23 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 1.82 -1.04 3.17 7.13 0.00 -0.82 -1.08 105.19 114.38 2qsq n GLY 30 Ca -0.35 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 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 0.06 -0.02 1.61 1.51 -0.20 -0.61 117.35 116.71 2qsq s TYR 31 Ca 0.00 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 2qsq s TYR 31 Cb 0.00 -0.04 0.00 0.00 -0.11 0.00 0.00 41.96 41.81 2qsq s TYR 31 CO 0.00 -0.42 -0.09 -1.12 -1.11 0.00 0.00 175.55 172.81 2qsq s SER 32 N -2.07 1.10 -0.11 2.29 0.01 -0.70 -0.52 113.70 113.70 2qsq s SER 32 Ca -0.05 -0.17 -0.06 0.00 1.31 0.00 0.00 55.95 56.97 2qsq s SER 32 Cb -0.01 -0.24 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 2qsq s SER 32 CO -0.04 0.07 0.14 0.26 0.41 0.00 0.00 173.24 174.08 2qsq s TRP 33 N 0.08 3.58 0.05 2.43 0.52 -0.20 -0.73 118.94 124.66 2qsq s TRP 33 Ca -0.01 0.50 0.08 0.00 0.02 0.00 0.00 56.10 56.69 2qsq s TRP 33 Cb -0.07 -1.92 -0.03 0.00 -1.15 0.00 0.00 33.47 30.30 2qsq s TRP 33 CO 0.00 0.72 -0.21 0.71 0.02 0.00 0.00 176.95 178.19 2qsq s TYR 34 N -1.05 1.86 0.07 -1.98 2.02 -0.25 0.05 117.35 118.07 2qsq s TYR 34 Ca 0.16 -0.38 -0.30 0.00 -0.37 0.00 0.00 57.07 56.18 2qsq s TYR 34 Cb -0.12 -1.10 -0.05 0.00 -0.40 0.00 0.00 41.96 40.29 2qsq s TYR 34 CO 0.05 0.10 0.97 0.21 -1.57 0.00 0.00 175.55 175.32 2qsq s LYS 35 N -1.22 4.64 0.00 -0.62 2.47 -0.64 -1.44 119.74 122.93 2qsq s LYS 35 Ca 0.08 1.45 0.00 0.00 -1.56 0.00 0.00 55.97 55.94 2qsq s LYS 35 Cb -0.09 -3.40 0.00 0.00 -1.46 0.00 0.00 37.83 32.88 2qsq s LYS 35 CO 0.02 0.11 0.00 0.41 0.16 0.00 0.00 175.35 176.05 2qsq n GLY 36 N 2.49 -0.85 0.93 5.54 0.00 0.47 -4.75 105.19 109.02 2qsq n GLY 36 Ca 0.04 -2.17 0.10 0.00 0.00 0.00 0.00 46.02 43.99 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 2.15 -4.15 1.61 1.02 -1.26 -2.90 120.64 117.11 2qsq n GLU 37 Ca 0.00 -1.99 -0.10 0.00 -0.02 0.00 0.00 57.16 55.05 2qsq n GLU 37 Cb 0.00 -1.42 -0.10 0.00 -0.02 0.00 0.00 31.44 29.90 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 -1.42 1.00 -0.16 3.49 1.70 -1.26 -4.96 118.95 117.34 2qsq s ARG 38 Ca 0.30 -1.46 -0.29 0.00 -0.47 0.00 0.00 55.73 53.81 2qsq s ARG 38 Cb 0.19 0.26 -0.02 0.00 -0.57 0.00 0.00 34.95 34.80 2qsq s ARG 38 CO 0.26 -0.30 1.36 0.08 -1.08 0.00 0.00 175.30 175.62 2qsq s VAL 39 N -4.07 4.11 -0.23 4.99 1.01 -1.26 -4.86 120.40 120.09 2qsq s VAL 39 Ca 0.27 1.33 -0.05 0.00 0.00 0.00 0.00 61.98 63.53 2qsq s VAL 39 Cb 0.07 -3.90 0.12 0.00 0.00 0.00 0.00 36.38 32.67 2qsq s VAL 39 CO 0.04 -0.17 0.42 -0.62 0.00 0.00 0.00 175.10 174.77 2qsq s ASP 40 N 2.43 -0.12 0.45 3.32 -1.08 -1.26 -5.05 116.67 115.36 2qsq s ASP 40 Ca 0.59 0.63 0.18 0.00 -0.52 0.00 0.00 52.55 53.44 2qsq s ASP 40 Cb -0.23 1.32 1.14 0.00 -1.46 0.00 0.00 42.92 43.68 2qsq s ASP 40 CO 0.19 -0.27 1.93 1.23 0.52 0.00 0.00 175.17 178.78 2qsq h GLY 41 N 8.16 0.54 2.00 2.66 0.00 -1.99 0.11 103.07 114.54 2qsq h GLY 41 Ca -0.18 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2qsq h GLY 41 CO 0.20 0.04 0.00 3.43 0.00 0.00 0.00 176.54 180.22 2qsq h ASN 42 N 0.32 0.00 -0.13 0.19 2.35 -2.01 -3.02 115.58 113.29 2qsq h ASN 42 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 2qsq h ASN 42 Cb 0.91 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.28 2qsq h ASN 42 CO -0.09 0.00 0.00 0.54 -1.65 0.00 0.00 177.43 176.23 2qsq n ARG 43 N -2.54 2.42 -2.03 0.81 1.74 0.36 -4.31 116.66 113.10 2qsq n ARG 43 Ca 0.01 -2.28 -0.42 0.00 -0.77 0.00 0.00 57.85 54.39 2qsq n ARG 43 Cb 0.20 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 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 -2.04 4.23 -0.14 5.56 0.74 -1.14 -1.63 119.66 125.24 2qsq s GLN 44 Ca 0.25 2.20 -0.13 0.00 0.05 0.00 0.00 55.36 57.73 2qsq s GLN 44 Cb 0.20 -3.58 -0.10 0.00 1.10 0.00 0.00 33.01 30.62 2qsq s GLN 44 CO 0.06 -0.68 0.18 0.82 -0.55 0.00 0.00 175.29 175.13 2qsq h ILE 45 N 4.83 0.59 -2.17 -2.34 2.04 -0.68 0.12 117.51 119.91 2qsq h ILE 45 Ca -0.41 -1.53 -0.01 0.00 1.00 0.00 0.00 64.86 63.91 2qsq h ILE 45 Cb 1.19 1.21 -0.18 0.00 -0.74 0.00 0.00 36.82 38.30 2qsq h ILE 45 CO 0.92 0.20 0.28 -0.51 0.00 0.00 0.00 178.15 179.05 2qsq s ILE 46 N -2.01 0.00 0.10 -0.67 2.07 -1.22 -1.06 121.20 118.41 2qsq s ILE 46 Ca -0.13 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.06 2qsq s ILE 46 Cb 0.01 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.58 2qsq s ILE 46 CO 0.32 0.00 0.12 -0.83 -1.91 0.00 0.00 174.94 172.64 2qsq s GLY 47 N -1.63 0.40 -0.10 1.50 0.00 -0.25 -1.03 107.32 106.20 2qsq s GLY 47 Ca -0.05 -0.97 -0.05 0.00 0.00 0.00 0.00 44.72 43.66 2qsq s GLY 47 CO 0.02 -1.04 0.23 -0.47 0.00 0.00 0.00 173.10 171.83 2qsq s TYR 48 N -3.92 -0.31 -0.30 1.90 5.04 0.32 -0.72 117.35 119.35 2qsq s TYR 48 Ca 0.11 0.76 -0.15 0.00 -2.44 0.00 0.00 57.07 55.35 2qsq s TYR 48 Cb 0.06 -0.01 -0.03 0.00 0.35 0.00 0.00 41.96 42.33 2qsq s TYR 48 CO -0.07 -0.25 0.37 0.08 -1.34 0.00 0.00 175.55 174.34 2qsq s VAL 49 N 1.56 5.17 0.19 3.14 1.01 -1.26 -1.04 120.40 129.18 2qsq s VAL 49 Ca -0.06 0.34 -0.33 0.00 0.00 0.00 0.00 61.98 61.93 2qsq s VAL 49 Cb -0.11 -3.75 -0.13 0.00 0.00 0.00 0.00 36.38 32.38 2qsq s VAL 49 CO -0.08 0.04 1.54 -0.38 0.00 0.00 0.00 175.10 176.22 2qsq n ILE 50 N 5.19 0.33 -0.32 2.22 5.41 -0.24 -2.10 119.36 129.85 2qsq n ILE 50 Ca -0.09 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.58 2qsq n ILE 50 Cb 0.50 -1.57 0.00 0.00 -0.71 0.00 0.00 39.64 37.86 2qsq n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2qsq n GLY 51 N 3.01 0.84 4.00 7.39 0.00 -1.26 -4.98 105.19 114.19 2qsq n GLY 51 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 2qsq n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qsq s THR 52 N -2.74 2.91 -1.38 2.61 -4.23 -0.89 -5.03 115.64 106.89 2qsq s THR 52 Ca 0.00 -0.91 0.27 0.00 -1.18 0.00 0.00 61.69 59.87 2qsq s THR 52 Cb 0.00 -2.99 0.24 0.00 1.34 0.00 0.00 72.50 71.09 2qsq s THR 52 CO 0.00 0.00 1.66 0.00 -0.54 0.00 0.00 174.62 175.74 2qsq n GLN 53 N -1.98 0.41 -3.81 3.99 6.02 -1.26 -4.93 117.38 115.83 2qsq n GLN 53 Ca 0.08 -0.19 -0.10 0.00 -0.01 0.00 0.00 57.00 56.79 2qsq n GLN 53 Cb 0.59 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.29 2qsq n GLN 53 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2qsq s GLN 54 N -2.72 0.86 0.23 -1.09 0.00 -1.26 -5.16 119.66 110.53 2qsq s GLN 54 Ca 0.20 -0.83 0.05 0.00 -0.00 0.00 0.00 55.36 54.78 2qsq s GLN 54 Cb 0.19 0.36 -0.03 0.00 0.00 0.00 0.00 33.01 33.53 2qsq s GLN 54 CO 0.56 -0.29 0.32 0.00 0.00 0.00 0.00 175.29 175.88 2qsq s ALA 55 N -3.58 3.86 -0.04 2.60 0.00 -1.26 -4.57 121.76 118.78 2qsq s ALA 55 Ca 0.02 -1.24 0.06 0.00 0.00 0.00 0.00 51.96 50.80 2qsq s ALA 55 Cb 0.03 -1.65 -0.01 0.00 0.00 0.00 0.00 23.12 21.49 2qsq s ALA 55 CO -0.10 0.29 -0.21 0.95 0.00 0.00 0.00 175.76 176.69 2qsq s THR 56 N -1.97 1.70 0.36 0.00 -4.23 0.10 -4.97 115.64 106.64 2qsq s THR 56 Ca 0.34 -0.89 -0.25 0.00 -1.18 0.00 0.00 61.69 59.71 2qsq s THR 56 Cb -0.09 -1.44 -0.10 0.00 1.34 0.00 0.00 72.50 72.21 2qsq s THR 56 CO 0.28 0.48 0.97 -2.16 -0.54 0.00 0.00 174.62 173.65 2qsq s PRO 57 N -0.24 4.43 0.38 3.99 0.04 -1.26 -1.10 135.00 141.24 2qsq s PRO 57 Ca 0.01 1.32 0.05 0.00 0.04 0.00 0.00 61.00 62.42 2qsq s PRO 57 Cb -0.11 -2.62 0.05 0.00 0.04 0.00 0.00 34.50 31.87 2qsq s PRO 57 CO 0.01 0.13 0.43 0.41 0.04 0.00 0.00 177.00 178.03 2qsq n GLY 58 N 0.26 2.31 0.31 0.56 0.00 -0.22 -4.89 105.19 103.52 2qsq n GLY 58 Ca 0.04 -2.22 0.16 0.00 0.00 0.00 0.00 46.02 43.99 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 0.00 -0.24 1.61 0.11 -1.69 -1.81 132.00 129.98 2qsq h PRO 59 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2qsq h PRO 59 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2qsq h PRO 59 CO 0.30 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.09 2qsq n ALA 60 N -2.34 2.49 -1.78 -0.75 0.00 0.38 -4.95 120.51 113.56 2qsq n ALA 60 Ca -0.01 -0.65 -0.41 0.00 0.00 0.00 0.00 53.44 52.37 2qsq n ALA 60 Cb 0.20 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.62 2qsq n ALA 60 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2qsq s TYR 61 N -1.70 2.63 -0.01 0.00 5.04 -0.68 -4.75 117.35 117.87 2qsq s TYR 61 Ca 0.33 1.18 0.01 0.00 -2.44 0.00 0.00 57.07 56.15 2qsq s TYR 61 Cb 0.18 -4.00 0.02 0.00 0.35 0.00 0.00 41.96 38.51 2qsq s TYR 61 CO 0.27 -2.92 0.82 -1.13 -1.34 0.00 0.00 175.55 171.25 2qsq n SER 62 N 0.53 1.20 0.00 4.32 3.41 -1.26 -4.99 113.62 116.82 2qsq n SER 62 Ca 0.01 -1.69 0.00 0.00 -0.26 0.00 0.00 58.87 56.93 2qsq n SER 62 Cb 0.39 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 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 -0.35 0.78 0.09 5.00 0.00 -1.26 -4.89 105.19 104.57 2qsq n GLY 63 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.24 2.26 -4.68 1.61 1.74 -1.26 -5.05 116.66 109.04 2qsq n ARG 64 Ca 0.00 -0.42 -0.34 0.00 -0.77 0.00 0.00 57.85 56.33 2qsq n ARG 64 Cb 0.00 -0.90 -0.12 0.00 -1.02 0.00 0.00 32.46 30.42 2qsq n ARG 64 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2qsq s GLU 65 N -0.76 2.78 -0.01 5.56 8.01 -1.26 -1.72 118.70 131.29 2qsq s GLU 65 Ca 0.03 -0.59 0.04 0.00 0.01 0.00 0.00 54.97 54.46 2qsq s GLU 65 Cb 0.03 -2.56 -0.01 0.00 -4.31 0.00 0.00 34.13 27.28 2qsq s GLU 65 CO 0.09 0.61 -0.13 0.42 0.01 0.00 0.00 175.26 176.26 2qsq s ILE 66 N -0.66 1.04 -0.21 -1.63 1.09 -0.39 -5.01 121.20 115.43 2qsq s ILE 66 Ca 0.10 -0.55 -0.03 0.00 -1.10 0.00 0.00 60.65 59.07 2qsq s ILE 66 Cb -0.11 -0.87 -0.01 0.00 -1.06 0.00 0.00 42.46 40.41 2qsq s ILE 66 CO 0.02 0.30 -0.07 -0.51 -0.10 0.00 0.00 174.94 174.58 2qsq s ILE 67 N -0.23 3.19 0.68 2.92 2.07 -1.26 -1.03 121.20 127.54 2qsq s ILE 67 Ca 0.04 -0.56 -0.13 0.00 -1.41 0.00 0.00 60.65 58.59 2qsq s ILE 67 Cb -0.06 -2.44 0.01 0.00 0.13 0.00 0.00 42.46 40.10 2qsq s ILE 67 CO -0.00 0.44 1.08 -0.31 -1.91 0.00 0.00 174.94 174.24 2qsq s TYR 68 N 1.40 2.85 0.64 3.50 1.51 0.10 -4.92 117.35 122.42 2qsq s TYR 68 Ca 0.05 1.50 0.38 0.00 -1.01 0.00 0.00 57.07 58.00 2qsq s TYR 68 Cb -0.14 -3.01 2.16 0.00 -0.11 0.00 0.00 41.96 40.85 2qsq s TYR 68 CO -0.04 -1.43 2.29 -1.35 -1.11 0.00 0.00 175.55 173.91 2qsq h PRO 69 N -0.36 0.00 -0.52 -1.71 0.11 -2.00 0.15 132.00 127.67 2qsq h PRO 69 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2qsq h PRO 69 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2qsq h PRO 69 CO 0.55 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.61 2qsq n ASN 70 N -3.32 2.67 0.00 -2.05 0.23 -1.26 -4.93 115.26 106.59 2qsq n ASN 70 Ca -0.03 -2.16 0.00 0.00 -0.53 0.00 0.00 54.58 51.86 2qsq n ASN 70 Cb 0.12 -0.38 0.00 0.00 -2.08 0.00 0.00 39.78 37.44 2qsq n ASN 70 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2qsq n ALA 71 N 0.60 0.00 -1.77 -2.53 0.00 0.53 -4.76 120.51 112.59 2qsq n ALA 71 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.19 2qsq n ALA 71 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -3.60 6.15 -0.22 0.00 0.01 -1.26 -4.67 113.70 110.12 2qsq s SER 72 Ca 0.00 2.78 -0.06 0.00 1.31 0.00 0.00 55.95 59.99 2qsq s SER 72 Cb 0.00 -2.65 -0.02 0.00 0.21 0.00 0.00 66.02 63.56 2qsq s SER 72 CO 0.00 -0.97 0.02 -0.22 0.41 0.00 0.00 173.24 172.48 2qsq s LEU 73 N -2.51 3.28 -0.20 2.44 2.96 -0.88 -0.73 118.68 123.05 2qsq s LEU 73 Ca 0.58 -0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 54.20 2qsq s LEU 73 Cb -0.41 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 2qsq s LEU 73 CO 0.53 0.02 0.05 -0.22 -1.32 0.00 0.00 176.35 175.41 2qsq s LEU 74 N 1.26 3.62 -0.14 -0.68 2.96 -0.20 -0.57 118.68 124.92 2qsq s LEU 74 Ca 0.04 -0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 2qsq s LEU 74 Cb -0.15 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.62 2qsq s LEU 74 CO 0.02 0.11 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.32 2qsq s ILE 75 N 0.78 2.24 0.43 6.68 1.01 -0.47 -1.26 121.20 130.61 2qsq s ILE 75 Ca 0.03 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.73 2qsq s ILE 75 Cb -0.14 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 2qsq s ILE 75 CO 0.02 0.54 0.69 -1.10 0.00 0.00 0.00 174.94 175.09 2qsq s GLN 76 N 0.78 3.42 -1.20 2.79 -1.52 -0.70 -1.60 119.66 121.63 2qsq s GLN 76 Ca -0.07 -0.10 -0.11 0.00 -1.95 0.00 0.00 55.36 53.13 2qsq s GLN 76 Cb -0.16 -2.50 -0.01 0.00 -0.22 0.00 0.00 33.01 30.12 2qsq s GLN 76 CO -0.01 -0.11 0.74 0.09 -0.25 0.00 0.00 175.29 175.75 2qsq n ASN 77 N -2.08 -3.77 -4.78 5.90 5.03 -0.98 -4.88 115.26 109.71 2qsq n ASN 77 Ca -0.01 -0.92 -0.41 0.00 0.87 0.00 0.00 54.58 54.11 2qsq n ASN 77 Cb 0.56 -3.78 -0.00 0.00 -1.02 0.00 0.00 39.78 35.54 2qsq n ASN 77 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2qsq s ILE 78 N -3.57 2.21 0.28 2.41 -1.09 -0.10 -4.67 121.20 116.66 2qsq s ILE 78 Ca 0.29 0.21 0.08 0.00 -2.23 0.00 0.00 60.65 59.00 2qsq s ILE 78 Cb -0.09 -3.13 -0.06 0.00 -1.58 0.00 0.00 42.46 37.60 2qsq s ILE 78 CO 0.83 0.05 -0.10 0.27 -1.23 0.00 0.00 174.94 174.77 2qsq s ILE 79 N -1.14 1.87 0.28 2.92 -4.36 -1.26 0.40 121.20 119.91 2qsq s ILE 79 Ca 0.53 -2.19 0.01 0.00 -0.26 0.00 0.00 60.65 58.74 2qsq s ILE 79 Cb -0.45 -2.41 0.27 0.00 1.25 0.00 0.00 42.46 41.13 2qsq s ILE 79 CO 0.60 -0.34 1.81 -0.61 0.24 0.00 0.00 174.94 176.64 2qsq h GLN 80 N 2.27 0.83 0.00 0.37 5.75 -1.96 -1.06 115.11 121.31 2qsq h GLN 80 Ca -0.40 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.05 2qsq h GLN 80 Cb 1.24 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.60 2qsq h GLN 80 CO 0.66 0.55 0.00 -0.91 -2.65 0.00 0.00 178.83 176.48 2qsq h ASN 81 N 0.85 0.00 1.05 -0.69 2.35 -1.99 -1.85 115.58 115.31 2qsq h ASN 81 Ca 0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.24 2qsq h ASN 81 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.95 2qsq h ASN 81 CO -0.30 0.00 0.00 0.44 -1.65 0.00 0.00 177.43 175.92 2qsq h ASP 82 N 0.00 0.00 -3.92 5.81 3.32 -1.60 -3.46 116.42 116.57 2qsq h ASP 82 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 2qsq h ASP 82 Cb 0.00 0.00 0.14 0.00 0.22 0.00 0.00 39.33 39.69 2qsq h ASP 82 CO 0.00 0.00 0.56 0.00 -1.72 0.00 0.00 179.24 178.08 2qsq n ALA 83 N -2.07 1.47 0.00 3.45 0.00 -0.70 -4.83 120.51 117.82 2qsq n ALA 83 Ca 0.01 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2qsq n ALA 83 Cb 0.31 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.43 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 0.79 0.58 3.89 0.00 0.00 -0.55 -5.01 105.19 104.89 2qsq n GLY 84 Ca 0.10 -1.96 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.57 3.51 -0.03 1.61 0.40 -1.26 -2.07 117.98 118.56 2qsq s PHE 85 Ca 0.00 0.66 0.01 0.00 -0.60 0.00 0.00 56.93 57.00 2qsq s PHE 85 Cb 0.00 -2.08 0.02 0.00 0.51 0.00 0.00 43.02 41.47 2qsq s PHE 85 CO 0.00 0.45 -0.04 0.71 0.70 0.00 0.00 175.22 177.04 2qsq s TYR 86 N -1.58 0.58 -0.13 0.36 1.51 -0.24 -0.39 117.35 117.46 2qsq s TYR 86 Ca 0.39 -0.13 0.03 0.00 -1.01 0.00 0.00 57.07 56.34 2qsq s TYR 86 Cb -0.13 -0.51 0.00 0.00 -0.11 0.00 0.00 41.96 41.22 2qsq s TYR 86 CO 0.22 -0.13 -0.21 0.99 -1.11 0.00 0.00 175.55 175.31 2qsq s THR 87 N 0.65 2.18 -0.14 -0.71 2.01 -0.52 -0.67 115.64 118.44 2qsq s THR 87 Ca -0.08 -0.95 -0.13 0.00 0.31 0.00 0.00 61.69 60.84 2qsq s THR 87 Cb -0.11 -1.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 2qsq s THR 87 CO -0.00 0.55 0.27 -0.22 -0.69 0.00 0.00 174.62 174.53 2qsq s LEU 88 N 0.67 4.28 -0.29 4.42 2.96 0.56 -1.09 118.68 130.19 2qsq s LEU 88 Ca -0.10 0.53 -0.06 0.00 -0.22 0.00 0.00 54.13 54.28 2qsq s LEU 88 Cb -0.16 -2.34 0.01 0.00 0.50 0.00 0.00 46.19 44.20 2qsq s LEU 88 CO 0.02 0.16 0.05 -2.28 -1.32 0.00 0.00 176.35 172.98 2qsq s HIS 89 N 0.13 3.14 -0.29 5.38 5.65 0.10 -1.78 115.29 127.61 2qsq s HIS 89 Ca 0.16 -1.10 -0.14 0.00 0.25 0.00 0.00 55.06 54.24 2qsq s HIS 89 Cb -0.13 -2.22 -0.03 0.00 -1.18 0.00 0.00 32.58 29.02 2qsq s HIS 89 CO 0.04 -0.61 0.31 0.08 -0.65 0.00 0.00 174.74 173.91 2qsq s VAL 90 N 1.46 5.22 -0.40 0.89 1.01 0.13 -1.71 120.40 126.99 2qsq s VAL 90 Ca 0.02 0.29 -0.15 0.00 0.00 0.00 0.00 61.98 62.15 2qsq s VAL 90 Cb -0.17 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.55 2qsq s VAL 90 CO 0.01 0.13 0.29 -0.63 0.00 0.00 0.00 175.10 174.90 2qsq s ILE 91 N 1.94 5.25 0.59 2.22 1.01 0.22 -1.75 121.20 130.70 2qsq s ILE 91 Ca 0.11 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 60.01 2qsq s ILE 91 Cb -0.16 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 2qsq s ILE 91 CO 0.11 -0.29 1.02 -0.54 0.00 0.00 0.00 174.94 175.24 2qsq s LYS 92 N 1.68 3.68 0.55 2.79 1.02 -1.26 -0.03 119.74 128.17 2qsq s LYS 92 Ca 0.05 0.79 0.29 0.00 0.02 0.00 0.00 55.97 57.12 2qsq s LYS 92 Cb -0.19 -2.09 1.63 0.00 -0.52 0.00 0.00 37.83 36.66 2qsq s LYS 92 CO 0.10 -0.50 2.15 0.77 -0.92 0.00 0.00 175.35 176.96 2qsq h SER 93 N -0.03 0.00 -0.06 2.83 0.02 -1.26 -0.87 113.55 114.19 2qsq h SER 93 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2qsq h SER 93 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2qsq h SER 93 CO 0.62 0.07 0.00 -0.90 -1.14 0.00 0.00 176.83 175.48 2qsq n ASP 94 N -3.68 1.67 -0.61 3.07 5.68 -1.26 -4.95 116.55 116.47 2qsq n ASP 94 Ca -0.02 -1.59 -0.08 0.00 -0.50 0.00 0.00 54.79 52.60 2qsq n ASP 94 Cb 0.17 -0.03 -0.03 0.00 -1.14 0.00 0.00 41.12 40.09 2qsq n ASP 94 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2qsq n LEU 95 N 0.31 -0.26 -4.45 -2.12 4.77 -0.33 -4.97 117.00 109.96 2qsq n LEU 95 Ca 0.18 0.20 -0.44 0.00 -0.03 0.00 0.00 56.01 55.92 2qsq n LEU 95 Cb 0.37 -2.06 -0.05 0.00 -2.33 0.00 0.00 43.42 39.35 2qsq n LEU 95 CO 0.16 -0.75 0.56 -0.69 -1.33 0.00 0.00 177.39 175.34 2qsq s VAL 96 N -1.97 4.60 0.29 4.08 1.01 -1.26 -4.92 120.40 122.24 2qsq s VAL 96 Ca 0.00 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.64 2qsq s VAL 96 Cb 0.00 -4.50 -0.03 0.00 0.00 0.00 0.00 36.38 31.85 2qsq s VAL 96 CO 0.00 -1.12 0.31 0.20 0.00 0.00 0.00 175.10 174.48 2qsq s ASN 97 N 3.21 5.66 0.09 3.32 0.01 -1.26 -4.25 114.94 121.71 2qsq s ASN 97 Ca 0.19 -0.27 0.02 0.00 -0.71 0.00 0.00 52.86 52.10 2qsq s ASN 97 Cb -0.18 -1.30 -0.04 0.00 0.41 0.00 0.00 41.25 40.15 2qsq s ASN 97 CO 0.12 -0.23 -0.08 -1.61 -1.51 0.00 0.00 177.10 173.79 2qsq s GLU 98 N -3.98 0.78 0.11 -0.60 2.02 -0.71 -5.00 118.70 111.30 2qsq s GLU 98 Ca 0.38 -1.17 0.06 0.00 0.02 0.00 0.00 54.97 54.26 2qsq s GLU 98 Cb -0.08 -0.31 -0.04 0.00 0.10 0.00 0.00 34.13 33.81 2qsq s GLU 98 CO 0.27 0.02 -0.15 -1.21 0.02 0.00 0.00 175.26 174.22 2qsq s GLU 99 N -3.09 0.99 -0.01 1.61 8.01 -1.26 0.19 118.70 125.14 2qsq s GLU 99 Ca 0.06 -1.16 -0.05 0.00 0.01 0.00 0.00 54.97 53.83 2qsq s GLU 99 Cb -0.00 -0.95 -0.00 0.00 -4.31 0.00 0.00 34.13 28.87 2qsq s GLU 99 CO -0.02 0.19 0.10 0.00 0.01 0.00 0.00 175.26 175.54 2qsq s ALA 100 N -1.80 -0.23 -0.02 5.21 0.00 -0.73 -4.98 121.76 119.21 2qsq s ALA 100 Ca 0.06 -0.10 0.07 0.00 0.00 0.00 0.00 51.96 51.99 2qsq s ALA 100 Cb -0.07 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 2qsq s ALA 100 CO 0.03 -0.16 -0.25 0.99 0.00 0.00 0.00 175.76 176.37 2qsq s THR 101 N -1.03 1.94 0.40 0.00 2.01 -1.26 -0.32 115.64 117.38 2qsq s THR 101 Ca -0.11 -1.05 0.04 0.00 0.31 0.00 0.00 61.69 60.88 2qsq s THR 101 Cb -0.06 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 2qsq s THR 101 CO 0.01 0.55 0.11 -0.83 -0.69 0.00 0.00 174.62 173.77 2qsq s GLY 102 N -0.53 2.57 0.11 4.40 0.00 0.16 -4.55 107.32 109.48 2qsq s GLY 102 Ca 0.08 -1.29 -0.18 0.00 0.00 0.00 0.00 44.72 43.34 2qsq s GLY 102 CO -0.00 -1.85 0.43 -0.86 0.00 0.00 0.00 173.10 170.82 2qsq s GLN 103 N -3.74 1.07 0.15 2.90 -2.07 -1.26 -1.08 119.66 115.62 2qsq s GLN 103 Ca 0.24 -0.60 -0.08 0.00 -1.82 0.00 0.00 55.36 53.10 2qsq s GLN 103 Cb 0.03 0.48 -0.01 0.00 -1.09 0.00 0.00 33.01 32.42 2qsq s GLN 103 CO 0.14 -0.42 0.23 -0.59 -1.32 0.00 0.00 175.29 173.33 2qsq s PHE 104 N -3.54 0.44 0.17 9.60 -0.71 -0.88 -4.60 117.98 118.46 2qsq s PHE 104 Ca 0.01 -0.81 0.09 0.00 -1.04 0.00 0.00 56.93 55.18 2qsq s PHE 104 Cb 0.01 -0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.65 2qsq s PHE 104 CO -0.10 -0.66 -0.11 1.03 -1.34 0.00 0.00 175.22 174.04 2qsq s ARG 105 N -3.96 2.00 -0.07 1.99 0.52 0.12 -1.48 118.95 118.07 2qsq s ARG 105 Ca 0.16 -1.27 0.05 0.00 -0.52 0.00 0.00 55.73 54.16 2qsq s ARG 105 Cb 0.04 -2.14 -0.01 0.00 0.52 0.00 0.00 34.95 33.37 2qsq s ARG 105 CO -0.02 0.44 -0.24 0.08 0.02 0.00 0.00 175.30 175.59 2qsq s VAL 106 N -1.63 1.97 0.07 3.52 1.01 -1.26 -0.65 120.40 123.43 2qsq s VAL 106 Ca 0.24 -1.00 0.10 0.00 0.00 0.00 0.00 61.98 61.31 2qsq s VAL 106 Cb -0.09 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 2qsq s VAL 106 CO 0.14 0.55 -0.26 -0.72 0.00 0.00 0.00 175.10 174.81 2qsq s TYR 107 N 0.02 2.33 -2.00 5.22 -0.85 -0.14 -4.92 117.35 117.01 2qsq s TYR 107 Ca -0.08 -0.39 0.05 0.00 -0.52 0.00 0.00 57.07 56.12 2qsq s TYR 107 Cb -0.15 -1.35 0.28 0.00 0.38 0.00 0.00 41.96 41.12 2qsq s TYR 107 CO 0.05 0.20 0.75 -0.35 -1.52 0.00 0.00 175.55 174.68