#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1usq s SER 1 N 0.00 -0.51 -0.05 1.61 1.04 1.46 -4.92 113.70 112.33 1usq s SER 1 Ca 0.00 0.67 -0.20 0.00 0.48 0.00 0.00 55.95 56.89 1usq s SER 1 Cb 0.00 0.66 -0.05 0.00 0.10 0.00 0.00 66.02 66.73 1usq s SER 1 CO 0.00 -0.44 0.57 0.12 0.98 0.00 0.00 173.24 174.47 1usq s PHE 2 N -0.78 3.61 -0.28 5.02 2.19 -1.26 -0.32 117.98 126.15 1usq s PHE 2 Ca -0.08 1.11 -0.03 0.00 0.33 0.00 0.00 56.93 58.25 1usq s PHE 2 Cb -0.03 -2.62 0.03 0.00 -1.31 0.00 0.00 43.02 39.10 1usq s PHE 2 CO 0.06 0.26 -0.00 0.99 1.83 0.00 0.00 175.22 178.35 1usq s THR 3 N 0.22 3.14 0.16 0.12 2.01 0.26 -4.98 115.64 116.56 1usq s THR 3 Ca 0.30 -1.14 -0.31 0.00 0.31 0.00 0.00 61.69 60.85 1usq s THR 3 Cb -0.17 -2.70 -0.10 0.00 0.01 0.00 0.00 72.50 69.53 1usq s THR 3 CO 0.15 0.02 1.63 -2.84 -0.69 0.00 0.00 174.62 172.89 1usq s PRO 4 N 1.32 4.19 -0.40 4.92 0.02 -1.26 -1.69 135.00 142.10 1usq s PRO 4 Ca -0.02 2.42 -0.01 0.00 0.02 0.00 0.00 61.00 63.41 1usq s PRO 4 Cb -0.18 -3.24 0.20 0.00 0.02 0.00 0.00 34.50 31.30 1usq s PRO 4 CO -0.01 -0.67 0.93 0.45 -0.33 0.00 0.00 177.00 177.37 1usq s SER 5 N 1.45 -0.78 0.00 2.53 0.15 -0.56 -4.92 113.70 111.57 1usq s SER 5 Ca 0.72 -0.81 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1usq s SER 5 Cb -0.44 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1usq s SER 5 CO 0.32 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.33 1usq n GLY 6 N 2.99 -1.01 3.93 9.45 0.00 -1.15 -3.59 105.19 115.82 1usq n GLY 6 Ca 0.13 -1.17 -0.25 0.00 0.00 0.00 0.00 46.02 44.72 1usq n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1usq s THR 7 N -3.00 1.73 -0.09 2.61 -4.23 -1.26 -4.60 115.64 106.79 1usq s THR 7 Ca 0.00 -1.40 0.02 0.00 -1.18 0.00 0.00 61.69 59.12 1usq s THR 7 Cb 0.00 -2.13 -0.02 0.00 1.34 0.00 0.00 72.50 71.69 1usq s THR 7 CO 0.00 0.00 -0.13 -0.89 -0.54 0.00 0.00 174.62 173.06 1usq s THR 8 N -2.76 3.13 -0.13 3.99 2.01 -1.26 -1.38 115.64 119.24 1usq s THR 8 Ca 0.39 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 1usq s THR 8 Cb -0.03 -2.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 1usq s THR 8 CO 0.24 0.56 -0.08 -0.83 -0.69 0.00 0.00 174.62 173.82 1usq s GLY 9 N -0.23 1.64 -0.23 4.40 0.00 0.04 -4.97 107.32 107.97 1usq s GLY 9 Ca 0.01 -0.86 -0.01 0.00 0.00 0.00 0.00 44.72 43.86 1usq s GLY 9 CO 0.03 -0.23 -0.10 -1.59 0.00 0.00 0.00 173.10 171.21 1usq s THR 10 N 0.13 2.69 -0.25 0.90 2.01 -1.26 -1.02 115.64 118.84 1usq s THR 10 Ca -0.04 -0.95 -0.14 0.00 0.31 0.00 0.00 61.69 60.87 1usq s THR 10 Cb -0.14 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 1usq s THR 10 CO 0.04 0.31 0.34 -0.89 -0.69 0.00 0.00 174.62 173.73 1usq s THR 11 N 1.33 5.21 -0.01 -0.82 2.01 0.80 -4.95 115.64 119.21 1usq s THR 11 Ca 0.02 0.53 0.07 0.00 0.31 0.00 0.00 61.69 62.61 1usq s THR 11 Cb -0.15 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 1usq s THR 11 CO -0.07 0.21 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.32 1usq s LYS 12 N 1.72 1.71 -0.09 4.92 1.02 -1.26 -0.37 119.74 127.38 1usq s LYS 12 Ca 0.15 -0.79 -0.05 0.00 0.02 0.00 0.00 55.97 55.30 1usq s LYS 12 Cb -0.15 -1.67 0.04 0.00 -0.52 0.00 0.00 37.83 35.53 1usq s LYS 12 CO 0.09 0.46 0.22 -1.17 -0.92 0.00 0.00 175.35 174.02 1usq s LEU 13 N -0.57 0.50 -0.25 3.17 2.96 0.17 -4.63 118.68 120.03 1usq s LEU 13 Ca 0.08 0.46 -0.09 0.00 -0.22 0.00 0.00 54.13 54.36 1usq s LEU 13 Cb -0.08 0.63 -0.04 0.00 0.50 0.00 0.00 46.19 47.20 1usq s LEU 13 CO -0.01 -0.16 0.13 -0.89 -1.32 0.00 0.00 176.35 174.10 1usq s THR 14 N 1.22 4.88 -0.11 3.68 2.01 -0.44 -0.32 115.64 126.57 1usq s THR 14 Ca -0.09 0.02 -0.11 0.00 0.31 0.00 0.00 61.69 61.82 1usq s THR 14 Cb -0.11 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 1usq s THR 14 CO -0.08 0.32 0.25 -0.69 -0.69 0.00 0.00 174.62 173.73 1usq s VAL 15 N 1.43 5.32 0.40 3.82 1.01 -0.06 -0.62 120.40 131.70 1usq s VAL 15 Ca 0.06 0.46 0.05 0.00 0.00 0.00 0.00 61.98 62.56 1usq s VAL 15 Cb -0.15 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1usq s VAL 15 CO 0.06 0.53 0.20 0.42 0.00 0.00 0.00 175.10 176.31 1usq s THR 16 N -0.53 0.32 0.52 3.92 -4.23 0.16 -1.77 115.64 114.02 1usq s THR 16 Ca 0.17 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.67 1usq s THR 16 Cb -0.13 -2.35 0.10 0.00 1.34 0.00 0.00 72.50 71.46 1usq s THR 16 CO 0.06 0.00 0.71 -0.62 -0.54 0.00 0.00 174.62 174.23 1usq n GLU 17 N -0.86 0.07 -0.24 3.99 1.02 -1.26 -0.89 120.64 122.48 1usq n GLU 17 Ca -0.01 -1.87 -0.05 0.00 -0.02 0.00 0.00 57.16 55.20 1usq n GLU 17 Cb 0.64 -0.48 0.06 0.00 -0.02 0.00 0.00 31.44 31.63 1usq n GLU 17 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1usq h LYS 18 N 0.00 0.85 -6.35 3.49 3.64 -1.98 -3.33 116.57 112.90 1usq h LYS 18 Ca -0.23 -0.05 -0.55 0.00 -1.27 0.00 0.00 60.65 58.54 1usq h LYS 18 Cb 0.85 -0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 32.39 1usq h LYS 18 CO 0.25 0.56 0.97 0.00 -2.27 0.00 0.00 179.45 178.96 1usq s GLN 20 N 5.26 3.25 -0.33 0.00 0.74 -1.25 -5.07 119.66 122.27 1usq s GLN 20 Ca 0.37 -0.75 0.03 0.00 0.05 0.00 0.00 55.36 55.06 1usq s GLN 20 Cb -0.09 -2.58 0.09 0.00 1.10 0.00 0.00 33.01 31.53 1usq s GLN 20 CO 0.18 0.11 0.03 0.08 -0.55 0.00 0.00 175.29 175.14 1usq s VAL 21 N 0.58 2.35 -0.35 1.34 1.01 -1.26 -5.07 120.40 118.99 1usq s VAL 21 Ca -0.09 -2.16 -0.25 0.00 0.00 0.00 0.00 61.98 59.47 1usq s VAL 21 Cb -0.16 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.58 1usq s VAL 21 CO 0.03 -0.48 0.90 -0.13 0.00 0.00 0.00 175.10 175.42 1usq s ARG 22 N 0.97 3.87 -0.16 2.72 0.52 -1.26 -5.04 118.95 120.57 1usq s ARG 22 Ca 0.06 0.59 -0.02 0.00 -0.52 0.00 0.00 55.73 55.84 1usq s ARG 22 Cb -0.19 -3.79 -0.02 0.00 0.52 0.00 0.00 34.95 31.47 1usq s ARG 22 CO -0.07 -0.89 -0.07 0.08 0.02 0.00 0.00 175.30 174.37 1usq s VAL 23 N 3.37 3.51 0.00 3.52 1.01 -1.26 -5.02 120.40 125.52 1usq s VAL 23 Ca 0.37 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1usq s VAL 23 Cb -0.12 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.73 1usq s VAL 23 CO 0.17 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.38 1usq n GLY 24 N 3.72 -1.17 3.71 4.51 0.00 -1.26 -4.92 105.19 109.78 1usq n GLY 24 Ca -0.18 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.25 1usq n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1usq n ASP 25 N -0.47 1.68 -4.69 1.61 10.43 -1.26 -4.90 116.55 118.95 1usq n ASP 25 Ca 0.00 0.76 -0.44 0.00 2.57 0.00 0.00 54.79 57.68 1usq n ASP 25 Cb 0.00 -1.53 -0.03 0.00 1.84 0.00 0.00 41.12 41.40 1usq n ASP 25 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 1usq n LEU 26 N -2.19 3.45 -4.25 0.64 7.94 -1.26 -5.00 117.00 116.33 1usq n LEU 26 Ca 0.15 1.11 -0.14 0.00 -1.11 0.00 0.00 56.01 56.03 1usq n LEU 26 Cb 0.49 -1.48 -0.10 0.00 0.53 0.00 0.00 43.42 42.86 1usq n LEU 26 CO 0.47 -0.22 -0.24 0.42 -1.11 0.00 0.00 177.39 176.71 1usq s THR 27 N 0.41 0.22 -0.29 1.96 -4.23 -1.26 -5.11 115.64 107.33 1usq s THR 27 Ca 0.72 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.94 1usq s THR 27 Cb -0.61 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 70.68 1usq s THR 27 CO 0.44 0.00 1.23 -0.69 -0.54 0.00 0.00 174.62 175.06 1usq s VAL 28 N -3.98 4.26 0.01 2.29 1.01 -1.26 -4.99 120.40 117.73 1usq s VAL 28 Ca 0.39 1.44 0.01 0.00 0.00 0.00 0.00 61.98 63.82 1usq s VAL 28 Cb 0.07 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 1usq s VAL 28 CO 0.13 -0.45 -0.05 0.00 0.00 0.00 0.00 175.10 174.74 1usq s ALA 29 N 4.08 0.36 0.02 5.51 0.00 -1.26 -1.33 121.76 129.14 1usq s ALA 29 Ca 0.53 -0.36 -0.03 0.00 0.00 0.00 0.00 51.96 52.10 1usq s ALA 29 Cb -0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1usq s ALA 29 CO 0.20 0.03 0.04 0.15 0.00 0.00 0.00 175.76 176.18 1usq s LYS 30 N -0.61 0.39 0.60 0.00 1.02 0.21 -4.94 119.74 116.42 1usq s LYS 30 Ca -0.03 -0.56 -0.14 0.00 0.02 0.00 0.00 55.97 55.27 1usq s LYS 30 Cb -0.05 0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 37.38 1usq s LYS 30 CO -0.00 -0.08 1.03 0.95 -0.92 0.00 0.00 175.35 176.33 1usq s THR 31 N -1.55 4.30 0.48 2.17 -4.23 -1.26 -0.66 115.64 114.89 1usq s THR 31 Ca -0.15 0.92 0.24 0.00 -1.18 0.00 0.00 61.69 61.52 1usq s THR 31 Cb -0.08 -3.61 0.28 0.00 1.34 0.00 0.00 72.50 70.42 1usq s THR 31 CO -0.00 -0.81 2.10 0.08 -0.54 0.00 0.00 174.62 175.45 1usq h ARG 32 N 0.10 0.00 0.00 3.99 0.11 -1.31 -1.27 114.38 115.99 1usq h ARG 32 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 1usq h ARG 32 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1usq h ARG 32 CO 0.60 0.10 0.00 0.78 0.10 0.00 0.00 179.97 181.54 1usq h GLY 33 N 0.49 0.00 1.15 0.08 0.00 -1.85 -1.98 103.07 100.96 1usq h GLY 33 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1usq h GLY 33 CO 0.01 0.00 -0.27 -1.06 0.00 0.00 0.00 176.54 175.22 1usq n GLN 34 N -3.01 0.22 -1.67 4.80 6.02 -0.48 -4.42 117.38 118.85 1usq n GLN 34 Ca -0.01 -0.10 -0.40 0.00 -0.01 0.00 0.00 57.00 56.48 1usq n GLN 34 Cb 0.17 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.92 1usq n GLN 34 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1usq n LEU 35 N -1.30 8.40 -4.93 1.08 4.77 -0.74 -4.86 117.00 119.41 1usq n LEU 35 Ca 0.08 -4.64 -0.25 0.00 -0.03 0.00 0.00 56.01 51.17 1usq n LEU 35 Cb 0.33 -1.46 0.02 0.00 -2.33 0.00 0.00 43.42 39.98 1usq n LEU 35 CO 0.30 2.06 0.42 0.42 -1.33 0.00 0.00 177.39 179.26 1usq s THR 36 N 0.46 4.01 0.13 -5.08 -4.23 -1.26 -1.59 115.64 108.07 1usq s THR 36 Ca 0.62 -0.17 -0.35 0.00 -1.18 0.00 0.00 61.69 60.61 1usq s THR 36 Cb 0.18 -3.53 -0.14 0.00 1.34 0.00 0.00 72.50 70.34 1usq s THR 36 CO -0.08 -0.47 1.54 -0.67 -0.54 0.00 0.00 174.62 174.40 1usq n ASP 37 N -2.32 2.79 0.00 3.99 2.03 -1.26 -1.53 116.55 120.26 1usq n ASP 37 Ca 0.02 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.42 1usq n ASP 37 Cb 0.57 -1.37 0.00 0.00 -0.72 0.00 0.00 41.12 39.60 1usq n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1usq n ALA 38 N 3.34 0.00 -1.73 -1.67 0.00 0.40 -4.92 120.51 115.94 1usq n ALA 38 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.20 1usq n ALA 38 Cb 0.27 -0.15 -0.02 0.00 0.00 0.00 0.00 19.45 19.54 1usq n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1usq n ALA 39 N 1.00 2.78 -2.17 0.00 0.00 -0.58 -4.60 120.51 116.93 1usq n ALA 39 Ca 0.00 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.42 1usq n ALA 39 Cb 0.01 -2.51 -0.04 0.00 0.00 0.00 0.00 19.45 16.92 1usq n ALA 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1usq s PRO 40 N 0.53 4.54 -0.23 0.00 0.04 -1.26 -0.37 135.00 138.25 1usq s PRO 40 Ca 0.71 1.73 -0.06 0.00 0.04 0.00 0.00 61.00 63.42 1usq s PRO 40 Cb -0.50 -3.30 -0.18 0.00 0.04 0.00 0.00 34.50 30.57 1usq s PRO 40 CO 0.38 -0.02 -0.11 -0.89 0.04 0.00 0.00 177.00 176.40 1usq n ILE 41 N 2.81 1.56 0.00 0.56 5.41 0.91 -4.90 119.36 125.71 1usq n ILE 41 Ca 0.04 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.31 1usq n ILE 41 Cb 0.46 -1.66 0.00 0.00 -0.71 0.00 0.00 39.64 37.74 1usq n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1usq n GLY 42 N 1.87 2.15 3.88 7.39 0.00 -1.13 -5.02 105.19 114.33 1usq n GLY 42 Ca -0.44 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 1usq n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1usq s PRO 43 N -2.00 3.75 -0.17 1.61 0.04 -1.26 -1.44 135.00 135.53 1usq s PRO 43 Ca 0.00 0.37 -0.00 0.00 0.04 0.00 0.00 61.00 61.40 1usq s PRO 43 Cb 0.00 -2.45 0.04 0.00 0.04 0.00 0.00 34.50 32.13 1usq s PRO 43 CO 0.00 0.03 -0.05 0.08 0.04 0.00 0.00 177.00 177.10 1usq s VAL 44 N -2.29 1.13 0.43 -0.36 1.01 0.47 -4.95 120.40 115.84 1usq s VAL 44 Ca 0.50 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.56 1usq s VAL 44 Cb -0.10 -1.33 -0.08 0.00 0.00 0.00 0.00 36.38 34.87 1usq s VAL 44 CO 0.31 0.10 1.07 0.42 0.00 0.00 0.00 175.10 177.00 1usq s THR 45 N 1.62 3.60 -0.04 3.92 -4.23 -1.26 -0.51 115.64 118.74 1usq s THR 45 Ca 0.00 1.17 0.00 0.00 -1.18 0.00 0.00 61.69 61.69 1usq s THR 45 Cb -0.16 -3.58 0.03 0.00 1.34 0.00 0.00 72.50 70.13 1usq s THR 45 CO -0.08 -0.05 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.25 1usq s VAL 46 N -1.70 0.30 -0.22 2.29 1.01 0.01 -4.91 120.40 117.18 1usq s VAL 46 Ca 0.61 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 1usq s VAL 46 Cb -0.22 -0.38 0.08 0.00 0.00 0.00 0.00 36.38 35.85 1usq s VAL 46 CO 0.28 0.18 0.10 -1.10 0.00 0.00 0.00 175.10 174.55 1usq s GLN 47 N 1.06 0.20 0.13 2.72 -1.52 -1.26 -0.66 119.66 120.33 1usq s GLN 47 Ca -0.09 -0.33 -0.05 0.00 -1.95 0.00 0.00 55.36 52.94 1usq s GLN 47 Cb -0.14 -1.61 -0.05 0.00 -0.22 0.00 0.00 33.01 30.99 1usq s GLN 47 CO -0.01 -0.82 0.36 0.00 -0.25 0.00 0.00 175.29 174.58 1usq s ALA 48 N 2.07 3.80 -0.04 6.09 0.00 -0.19 -5.00 121.76 128.49 1usq s ALA 48 Ca 0.05 -0.56 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 1usq s ALA 48 Cb -0.16 -2.12 0.01 0.00 0.00 0.00 0.00 23.12 20.85 1usq s ALA 48 CO -0.20 0.67 0.11 -0.51 0.00 0.00 0.00 175.76 175.83 1usq s LEU 49 N -2.57 1.48 -0.47 0.00 1.02 -1.26 -4.60 118.68 112.29 1usq s LEU 49 Ca 0.40 0.23 0.00 0.00 0.02 0.00 0.00 54.13 54.77 1usq s LEU 49 Cb -0.12 0.37 0.00 0.00 0.02 0.00 0.00 46.19 46.45 1usq s LEU 49 CO 0.24 -0.05 0.00 0.61 0.02 0.00 0.00 176.35 177.17 1usq n GLY 50 N 3.17 0.72 1.38 -3.19 0.00 -1.26 -4.94 105.19 101.07 1usq n GLY 50 Ca -0.14 -0.74 -0.08 0.00 0.00 0.00 0.00 46.02 45.05 1usq n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1usq h ASP 52 N 1.01 0.00 -0.17 0.00 3.04 -1.92 -1.66 116.42 116.71 1usq h ASP 52 Ca 0.31 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.10 1usq h ASP 52 Cb 1.90 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.19 1usq h ASP 52 CO 0.53 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.73 1usq n ALA 53 N -2.61 2.53 -2.45 4.15 0.00 -1.26 -3.53 120.51 117.34 1usq n ALA 53 Ca 0.06 -2.03 -0.18 0.00 0.00 0.00 0.00 53.44 51.29 1usq n ALA 53 Cb 0.47 -0.49 -0.11 0.00 0.00 0.00 0.00 19.45 19.32 1usq n ALA 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1usq s ARG 54 N -2.30 1.12 -0.38 0.00 1.81 -0.85 -4.91 118.95 113.45 1usq s ARG 54 Ca 0.31 -1.33 -0.22 0.00 -1.72 0.00 0.00 55.73 52.77 1usq s ARG 54 Cb 0.24 -1.00 0.01 0.00 -0.45 0.00 0.00 34.95 33.76 1usq s ARG 54 CO 0.07 0.19 0.71 -0.65 -0.68 0.00 0.00 175.30 174.94 1usq s GLN 55 N -2.91 3.63 0.46 3.54 -0.21 -1.26 -1.50 119.66 121.41 1usq s GLN 55 Ca 0.13 0.08 -0.25 0.00 0.02 0.00 0.00 55.36 55.34 1usq s GLN 55 Cb -0.04 -3.84 -0.08 0.00 1.00 0.00 0.00 33.01 30.05 1usq s GLN 55 CO 0.04 -0.85 1.39 0.28 -2.12 0.00 0.00 175.29 174.03 1usq n VAL 56 N 5.75 2.86 -3.79 1.09 0.31 -1.26 -0.97 118.33 122.32 1usq n VAL 56 Ca 0.01 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.72 1usq n VAL 56 Cb 0.48 -1.77 -0.08 0.00 -0.91 0.00 0.00 33.84 31.56 1usq n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1usq s ALA 57 N -1.20 -0.59 -0.06 3.52 0.00 -0.22 -0.67 121.76 122.54 1usq s ALA 57 Ca 0.62 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.58 1usq s ALA 57 Cb -0.46 0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1usq s ALA 57 CO 0.57 -0.37 -0.15 -0.51 0.00 0.00 0.00 175.76 175.30 1usq s LEU 58 N -1.93 1.79 -0.15 0.00 2.01 -0.10 -1.11 118.68 119.20 1usq s LEU 58 Ca -0.07 -0.35 -0.01 0.00 0.01 0.00 0.00 54.13 53.71 1usq s LEU 58 Cb -0.02 -0.95 -0.01 0.00 0.01 0.00 0.00 46.19 45.22 1usq s LEU 58 CO -0.02 0.08 -0.12 -0.75 1.01 0.00 0.00 176.35 176.55 1usq s LYS 59 N 0.45 3.36 0.49 1.70 2.20 -0.07 -0.41 119.74 127.47 1usq s LYS 59 Ca -0.13 -0.68 -0.19 0.00 -0.36 0.00 0.00 55.97 54.61 1usq s LYS 59 Cb -0.15 -2.69 -0.08 0.00 -1.51 0.00 0.00 37.83 33.40 1usq s LYS 59 CO 0.04 0.12 1.01 0.00 -0.36 0.00 0.00 175.35 176.16 1usq s ALA 60 N 0.59 2.92 0.69 3.13 0.00 0.11 -1.27 121.76 127.93 1usq s ALA 60 Ca -0.07 0.47 -0.17 0.00 0.00 0.00 0.00 51.96 52.19 1usq s ALA 60 Cb -0.15 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.77 1usq s ALA 60 CO 0.03 -0.26 1.27 -0.51 0.00 0.00 0.00 175.76 176.29 1usq s ASP 61 N -2.28 4.31 0.33 0.00 1.11 -0.76 -4.87 116.67 114.50 1usq s ASP 61 Ca 0.64 2.56 0.09 0.00 0.18 0.00 0.00 52.55 56.02 1usq s ASP 61 Cb -0.14 -2.61 0.85 0.00 1.07 0.00 0.00 42.92 42.09 1usq s ASP 61 CO 0.22 -2.20 1.77 0.74 1.18 0.00 0.00 175.17 176.88 1usq h THR 62 N 0.14 0.63 0.00 -1.27 2.02 -1.93 -0.44 112.91 112.06 1usq h THR 62 Ca -0.50 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1usq h THR 62 Cb 1.33 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1usq h THR 62 CO 0.51 0.12 0.00 0.47 0.37 0.00 0.00 175.52 176.99 1usq n ASP 63 N -4.77 0.00 -0.72 4.18 8.00 -1.26 -3.56 116.55 118.43 1usq n ASP 63 Ca 0.24 -0.42 0.07 0.00 0.71 0.00 0.00 54.79 55.39 1usq n ASP 63 Cb 0.67 -0.10 0.20 0.00 -0.02 0.00 0.00 41.12 41.86 1usq n ASP 63 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1usq n ASN 64 N -1.10 3.32 -3.51 -2.24 3.02 -0.17 -4.74 115.26 109.83 1usq n ASN 64 Ca 0.14 -2.50 -0.12 0.00 -0.03 0.00 0.00 54.58 52.06 1usq n ASN 64 Cb 0.10 -0.37 -0.04 0.00 -0.61 0.00 0.00 39.78 38.87 1usq n ASN 64 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1usq s PHE 65 N -1.89 -0.44 -0.28 3.10 -0.12 -1.23 -1.28 117.98 115.84 1usq s PHE 65 Ca 0.31 0.28 -0.26 0.00 -0.05 0.00 0.00 56.93 57.21 1usq s PHE 65 Cb 0.22 0.43 0.16 0.00 -0.63 0.00 0.00 43.02 43.21 1usq s PHE 65 CO 0.12 -0.76 1.26 -2.00 -0.05 0.00 0.00 175.22 173.79 1usq s GLU 66 N -3.38 0.25 -1.03 1.99 2.12 -0.63 -4.98 118.70 113.04 1usq s GLU 66 Ca -0.00 0.22 -0.16 0.00 0.36 0.00 0.00 54.97 55.39 1usq s GLU 66 Cb -0.00 0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.51 1usq s GLU 66 CO -0.09 -0.05 0.72 0.94 -0.54 0.00 0.00 175.26 176.24 1usq n GLN 67 N 1.50 -1.13 -0.53 4.30 0.00 -1.26 -0.96 117.38 119.30 1usq n GLN 67 Ca -0.09 0.59 -0.00 0.00 -0.00 0.00 0.00 57.00 57.50 1usq n GLN 67 Cb 0.57 -3.65 -0.00 0.00 0.00 0.00 0.00 30.24 27.16 1usq n GLN 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1usq n GLY 68 N -1.75 0.00 3.47 1.69 0.00 -1.26 -4.89 105.19 102.45 1usq n GLY 68 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1usq n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1usq s LYS 69 N -1.05 2.56 0.06 1.61 1.02 -0.14 -5.00 119.74 118.79 1usq s LYS 69 Ca 0.00 -0.69 0.02 0.00 0.02 0.00 0.00 55.97 55.32 1usq s LYS 69 Cb 0.00 -2.40 -0.04 0.00 -0.52 0.00 0.00 37.83 34.87 1usq s LYS 69 CO 0.00 0.60 0.10 -0.06 -0.92 0.00 0.00 175.35 175.07 1usq s PHE 70 N -0.68 3.27 -0.06 3.18 0.40 -1.26 -1.60 117.98 121.23 1usq s PHE 70 Ca 0.10 0.14 -0.24 0.00 -0.60 0.00 0.00 56.93 56.34 1usq s PHE 70 Cb -0.11 -1.67 0.05 0.00 0.51 0.00 0.00 43.02 41.80 1usq s PHE 70 CO 0.01 0.54 0.53 -0.59 0.70 0.00 0.00 175.22 176.41 1usq s PHE 71 N -1.36 -0.49 0.52 0.36 -0.12 -0.40 -1.79 117.98 114.70 1usq s PHE 71 Ca 0.29 0.89 -0.19 0.00 -0.05 0.00 0.00 56.93 57.87 1usq s PHE 71 Cb -0.12 0.27 -0.07 0.00 -0.63 0.00 0.00 43.02 42.47 1usq s PHE 71 CO 0.21 -0.49 1.05 -0.51 -0.05 0.00 0.00 175.22 175.43 1usq s LEU 72 N -1.01 3.74 0.03 -1.99 1.02 0.39 -4.52 118.68 116.35 1usq s LEU 72 Ca -0.10 1.90 0.07 0.00 0.02 0.00 0.00 54.13 56.02 1usq s LEU 72 Cb -0.02 -4.55 -0.02 0.00 0.02 0.00 0.00 46.19 41.61 1usq s LEU 72 CO 0.07 -0.91 -0.21 -0.51 0.02 0.00 0.00 176.35 174.80 1usq s ILE 73 N -2.11 1.68 0.81 -0.59 1.10 -0.42 -1.42 121.20 120.25 1usq s ILE 73 Ca 0.66 -1.14 -0.11 0.00 -0.51 0.00 0.00 60.65 59.56 1usq s ILE 73 Cb -0.17 -1.44 0.08 0.00 0.15 0.00 0.00 42.46 41.08 1usq s ILE 73 CO 0.25 0.26 1.09 -0.94 -2.11 0.00 0.00 174.94 173.50 1usq s SER 74 N -1.04 4.18 0.34 4.50 1.04 -0.30 -1.10 113.70 121.32 1usq s SER 74 Ca 0.08 1.79 0.10 0.00 0.48 0.00 0.00 55.95 58.40 1usq s SER 74 Cb -0.09 -2.46 0.88 0.00 0.10 0.00 0.00 66.02 64.45 1usq s SER 74 CO 0.01 -2.24 1.79 0.44 0.98 0.00 0.00 173.24 174.22 1usq h ASP 75 N -1.27 0.65 -0.07 7.02 3.32 -1.51 0.64 116.42 125.20 1usq h ASP 75 Ca -0.45 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1usq h ASP 75 Cb 1.24 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1usq h ASP 75 CO 0.51 0.21 0.00 -0.46 -1.72 0.00 0.00 179.24 177.78 1usq n ASN 76 N -4.70 0.77 0.00 6.45 2.04 -1.26 -4.91 115.26 113.65 1usq n ASN 76 Ca 0.23 -1.52 0.00 0.00 -0.44 0.00 0.00 54.58 52.85 1usq n ASN 76 Cb 0.66 -0.04 0.00 0.00 -2.53 0.00 0.00 39.78 37.87 1usq n ASN 76 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1usq n ASN 77 N -0.29 -1.08 -0.02 0.53 4.05 0.22 -4.90 115.26 113.76 1usq n ASN 77 Ca 0.16 0.00 -0.22 0.00 0.45 0.00 0.00 54.58 54.97 1usq n ASN 77 Cb 0.19 -0.79 -0.13 0.00 1.23 0.00 0.00 39.78 40.28 1usq n ASN 77 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 177.26 174.12 1usq h ARG 78 N 1.83 0.19 -5.51 1.20 2.43 -1.91 -3.46 114.38 109.16 1usq h ARG 78 Ca 0.00 -0.33 -0.64 0.00 -0.81 0.00 0.00 59.98 58.20 1usq h ARG 78 Cb 0.07 0.12 -0.12 0.00 -0.42 0.00 0.00 29.97 29.62 1usq h ARG 78 CO 0.00 1.16 -0.53 -0.51 -1.51 0.00 0.00 179.97 178.58 1usq s ASP 79 N -7.00 5.93 -0.01 -3.80 1.01 -1.26 -4.96 116.67 106.57 1usq s ASP 79 Ca -0.24 0.25 0.00 0.00 0.71 0.00 0.00 52.55 53.27 1usq s ASP 79 Cb 0.06 -1.94 -0.04 0.00 1.01 0.00 0.00 42.92 42.01 1usq s ASP 79 CO 0.72 0.29 0.04 -0.54 0.21 0.00 0.00 175.17 175.88 1usq s LYS 80 N -0.29 2.93 -0.31 8.23 1.02 -1.26 -1.15 119.74 128.89 1usq s LYS 80 Ca 0.10 -0.53 0.01 0.00 0.02 0.00 0.00 55.97 55.57 1usq s LYS 80 Cb -0.12 -2.77 0.09 0.00 -0.52 0.00 0.00 37.83 34.52 1usq s LYS 80 CO 0.01 0.64 0.06 -1.17 -0.92 0.00 0.00 175.35 173.98 1usq s LEU 81 N -1.55 3.38 0.33 3.17 2.96 -0.51 -4.98 118.68 121.49 1usq s LEU 81 Ca 0.20 -1.81 -0.28 0.00 -0.22 0.00 0.00 54.13 52.02 1usq s LEU 81 Cb -0.12 -1.24 -0.10 0.00 0.50 0.00 0.00 46.19 45.24 1usq s LEU 81 CO 0.11 -0.38 1.24 -0.31 -1.32 0.00 0.00 176.35 175.69 1usq s TYR 82 N 1.28 3.16 0.13 5.38 1.51 -1.26 -0.46 117.35 127.09 1usq s TYR 82 Ca 0.08 1.50 -0.00 0.00 -1.01 0.00 0.00 57.07 57.64 1usq s TYR 82 Cb -0.18 -3.55 -0.04 0.00 -0.11 0.00 0.00 41.96 38.07 1usq s TYR 82 CO -0.15 -1.50 0.02 0.14 -1.11 0.00 0.00 175.55 172.95 1usq s VAL 83 N -1.18 0.32 -0.03 0.71 -7.23 -0.74 -1.04 120.40 111.21 1usq s VAL 83 Ca 0.49 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.77 1usq s VAL 83 Cb -0.37 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 1usq s VAL 83 CO 0.48 -0.57 -0.08 0.20 -0.31 0.00 0.00 175.10 174.82 1usq s ASN 84 N -3.07 4.55 -0.20 4.85 0.01 0.12 -4.37 114.94 116.84 1usq s ASN 84 Ca 0.21 -0.11 -0.02 0.00 -0.71 0.00 0.00 52.86 52.23 1usq s ASN 84 Cb 0.07 -1.08 0.00 0.00 0.41 0.00 0.00 41.25 40.65 1usq s ASN 84 CO 0.00 0.32 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.18 1usq s ILE 85 N -0.90 2.90 -0.11 0.60 1.01 -1.26 -1.51 121.20 121.93 1usq s ILE 85 Ca 0.15 -0.66 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 1usq s ILE 85 Cb -0.11 -2.29 0.05 0.00 0.01 0.00 0.00 42.46 40.12 1usq s ILE 85 CO 0.04 0.47 0.25 -0.60 0.00 0.00 0.00 174.94 175.10 1usq s ARG 86 N 1.36 0.21 0.41 2.79 3.52 -0.70 -4.97 118.95 121.56 1usq s ARG 86 Ca 0.05 0.54 -0.25 0.00 -0.13 0.00 0.00 55.73 55.94 1usq s ARG 86 Cb -0.14 -0.12 -0.08 0.00 -1.56 0.00 0.00 34.95 33.05 1usq s ARG 86 CO -0.06 -0.17 1.19 -1.25 -0.81 0.00 0.00 175.30 174.20 1usq s PRO 87 N 1.30 3.99 0.52 5.12 0.04 -1.26 0.09 135.00 144.79 1usq s PRO 87 Ca -0.09 1.89 0.32 0.00 0.04 0.00 0.00 61.00 63.16 1usq s PRO 87 Cb -0.10 -2.65 1.26 0.00 0.04 0.00 0.00 34.50 33.04 1usq s PRO 87 CO -0.09 -0.39 1.93 1.79 0.04 0.00 0.00 177.00 180.29 1usq h THR 88 N 2.28 0.00 -3.07 1.26 1.35 -1.57 -3.45 112.91 109.71 1usq h THR 88 Ca -0.49 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1usq h THR 88 Cb 1.24 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1usq h THR 88 CO 0.62 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.99 1usq n ASP 89 N -3.02 0.00 -1.31 5.36 3.85 -1.26 -4.99 116.55 115.18 1usq n ASP 89 Ca 0.01 -0.93 0.04 0.00 -0.71 0.00 0.00 54.79 53.20 1usq n ASP 89 Cb 0.32 0.00 0.24 0.00 -1.35 0.00 0.00 41.12 40.32 1usq n ASP 89 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1usq n ASN 90 N -2.79 3.75 -4.80 -1.12 3.02 -1.26 -4.97 115.26 107.09 1usq n ASN 90 Ca 0.00 -2.54 -0.35 0.00 -0.03 0.00 0.00 54.58 51.67 1usq n ASN 90 Cb 0.00 -0.60 -0.05 0.00 -0.61 0.00 0.00 39.78 38.52 1usq n ASN 90 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1usq s SER 91 N -0.46 6.73 -0.17 6.41 1.04 -1.26 -5.03 113.70 120.96 1usq s SER 91 Ca 0.32 1.87 -0.13 0.00 0.48 0.00 0.00 55.95 58.49 1usq s SER 91 Cb 0.24 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.75 1usq s SER 91 CO 0.09 -0.51 0.27 0.00 0.98 0.00 0.00 173.24 174.08 1usq s ALA 92 N -1.93 3.60 0.30 5.32 0.00 -1.26 -4.86 121.76 122.93 1usq s ALA 92 Ca 0.62 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.11 1usq s ALA 92 Cb -0.16 -2.37 -0.06 0.00 0.00 0.00 0.00 23.12 20.53 1usq s ALA 92 CO 0.20 0.08 0.06 -1.58 0.00 0.00 0.00 175.76 174.52 1usq s TRP 93 N 0.51 1.81 0.03 0.00 0.52 -1.26 -1.24 118.94 119.30 1usq s TRP 93 Ca 0.15 -1.01 0.04 0.00 0.02 0.00 0.00 56.10 55.30 1usq s TRP 93 Cb -0.13 -1.14 -0.02 0.00 -1.15 0.00 0.00 33.47 31.04 1usq s TRP 93 CO 0.03 -0.08 -0.11 0.99 0.02 0.00 0.00 176.95 177.80 1usq s THR 94 N -3.43 0.86 -0.20 2.01 2.01 0.84 -4.86 115.64 112.88 1usq s THR 94 Ca 0.36 -0.84 -0.06 0.00 0.31 0.00 0.00 61.69 61.45 1usq s THR 94 Cb 0.08 -0.79 -0.03 0.00 0.01 0.00 0.00 72.50 71.76 1usq s THR 94 CO 0.14 -0.04 0.04 -0.89 -0.69 0.00 0.00 174.62 173.18 1usq s THR 95 N -0.79 4.41 -0.30 -0.82 2.01 -1.26 -0.85 115.64 118.04 1usq s THR 95 Ca -0.01 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 61.81 1usq s THR 95 Cb -0.07 -3.00 0.12 0.00 0.01 0.00 0.00 72.50 69.56 1usq s THR 95 CO 0.01 0.43 0.20 -0.62 -0.69 0.00 0.00 174.62 173.95 1usq s ASP 96 N 0.76 2.77 -1.16 3.53 3.68 0.73 -4.98 116.67 122.01 1usq s ASP 96 Ca 0.02 -1.20 -0.20 0.00 2.13 0.00 0.00 52.55 53.29 1usq s ASP 96 Cb -0.14 -0.03 -0.01 0.00 -1.45 0.00 0.00 42.92 41.30 1usq s ASP 96 CO 0.02 -0.40 0.77 -3.20 0.13 0.00 0.00 175.17 172.49 1usq n ASN 97 N 5.12 -4.96 0.00 -0.34 5.15 -1.26 -1.82 115.26 117.16 1usq n ASN 97 Ca -0.02 -1.03 0.00 0.00 -0.60 0.00 0.00 54.58 52.93 1usq n ASN 97 Cb 0.43 -3.28 0.00 0.00 -0.53 0.00 0.00 39.78 36.40 1usq n ASN 97 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1usq n GLY 98 N -1.72 1.16 3.44 8.20 0.00 -1.26 -5.00 105.19 110.01 1usq n GLY 98 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1usq n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1usq s VAL 99 N -3.15 3.42 -0.35 1.61 1.01 -0.75 -0.71 120.40 121.47 1usq s VAL 99 Ca 0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 1usq s VAL 99 Cb 0.00 -2.46 0.07 0.00 0.00 0.00 0.00 36.38 33.99 1usq s VAL 99 CO 0.00 0.52 0.10 0.12 0.00 0.00 0.00 175.10 175.84 1usq s PHE 100 N 0.23 3.38 0.14 5.22 5.36 0.46 -0.19 117.98 132.57 1usq s PHE 100 Ca -0.06 -1.95 0.11 0.00 -0.96 0.00 0.00 56.93 54.06 1usq s PHE 100 Cb -0.15 -2.56 -0.04 0.00 -0.34 0.00 0.00 43.02 39.93 1usq s PHE 100 CO 0.04 -0.85 -0.26 1.52 -1.46 0.00 0.00 175.22 174.22 1usq s TYR 101 N 1.25 2.23 0.15 10.12 1.13 -0.03 -0.92 117.35 131.28 1usq s TYR 101 Ca 0.00 -0.38 -0.30 0.00 -1.41 0.00 0.00 57.07 54.98 1usq s TYR 101 Cb -0.21 -1.19 -0.07 0.00 -1.10 0.00 0.00 41.96 39.39 1usq s TYR 101 CO -0.01 0.35 1.05 0.21 -2.51 0.00 0.00 175.55 174.64 1usq s LYS 102 N -2.16 4.63 0.50 -3.49 2.20 0.16 -0.11 119.74 121.47 1usq s LYS 102 Ca 0.14 1.61 0.33 0.00 -0.36 0.00 0.00 55.97 57.69 1usq s LYS 102 Cb -0.10 -3.32 1.47 0.00 -1.51 0.00 0.00 37.83 34.38 1usq s LYS 102 CO 0.06 0.12 1.98 -0.91 -0.36 0.00 0.00 175.35 176.25 1usq h ASN 103 N 5.36 0.00 -3.37 1.43 -0.26 -1.51 -3.43 115.58 113.81 1usq h ASN 103 Ca -0.44 0.00 -0.65 0.00 -0.56 0.00 0.00 56.30 54.65 1usq h ASN 103 Cb 1.21 0.00 -0.16 0.00 -1.06 0.00 0.00 38.32 38.31 1usq h ASN 103 CO 0.72 0.00 -0.76 -0.62 -1.06 0.00 0.00 177.43 175.71 1usq s ASP 104 N -5.23 4.06 0.89 5.81 3.68 -1.26 -5.08 116.67 119.53 1usq s ASP 104 Ca 0.00 -0.57 -0.12 0.00 2.13 0.00 0.00 52.55 53.99 1usq s ASP 104 Cb 0.10 -0.62 0.12 0.00 -1.45 0.00 0.00 42.92 41.07 1usq s ASP 104 CO 0.47 0.14 1.15 0.68 0.13 0.00 0.00 175.17 177.74 1usq s VAL 105 N -1.43 2.00 0.00 1.11 -7.23 -1.26 -4.42 120.40 109.17 1usq s VAL 105 Ca 0.21 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.38 1usq s VAL 105 Cb -0.10 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 34.03 1usq s VAL 105 CO 0.13 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.53 1usq n GLY 106 N -2.48 3.83 3.37 2.32 0.00 -0.56 -4.93 105.19 106.73 1usq n GLY 106 Ca 0.07 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 1usq n GLY 106 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1usq n SER 107 N 0.00 4.94 -4.77 1.61 7.64 -1.19 -4.45 113.62 117.40 1usq n SER 107 Ca 0.00 -2.95 -0.40 0.00 1.01 0.00 0.00 58.87 56.53 1usq n SER 107 Cb 0.00 -1.65 -0.03 0.00 -1.01 0.00 0.00 64.21 61.53 1usq n SER 107 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 1usq s TRP 108 N 2.73 3.18 -0.04 1.43 -0.00 -1.26 -4.67 118.94 120.31 1usq s TRP 108 Ca 0.48 1.52 0.05 0.00 -0.00 0.00 0.00 56.10 58.14 1usq s TRP 108 Cb 0.03 -3.52 -0.01 0.00 -0.00 0.00 0.00 33.47 29.98 1usq s TRP 108 CO 0.02 -1.41 -0.18 0.20 -0.00 0.00 0.00 176.95 175.58 1usq s GLY 109 N -0.73 0.96 0.00 5.86 0.00 -1.26 -1.02 107.32 111.13 1usq s GLY 109 Ca 0.50 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1usq s GLY 109 CO 0.47 -0.47 0.00 0.61 0.00 0.00 0.00 173.10 173.71 1usq n GLY 110 N 2.98 -1.18 3.43 0.20 0.00 0.17 -5.00 105.19 105.79 1usq n GLY 110 Ca -0.17 -0.95 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 1usq n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1usq s ILE 111 N -2.34 3.23 -0.24 -0.61 -1.09 -1.26 -0.81 121.20 118.08 1usq s ILE 111 Ca 0.00 -0.61 -0.06 0.00 -2.23 0.00 0.00 60.65 57.74 1usq s ILE 111 Cb 0.00 -2.35 -0.02 0.00 -1.58 0.00 0.00 42.46 38.51 1usq s ILE 111 CO 0.00 0.54 0.04 -0.63 -1.23 0.00 0.00 174.94 173.66 1usq s ILE 112 N 0.04 4.11 0.03 2.92 -1.09 0.34 -1.31 121.20 126.24 1usq s ILE 112 Ca -0.04 -0.24 -0.17 0.00 -2.23 0.00 0.00 60.65 57.97 1usq s ILE 112 Cb -0.14 -2.91 -0.06 0.00 -1.58 0.00 0.00 42.46 37.77 1usq s ILE 112 CO 0.04 0.37 0.50 -0.83 -1.23 0.00 0.00 174.94 173.79 1usq s GLY 113 N 1.50 2.58 -0.24 6.18 0.00 0.11 -0.39 107.32 117.06 1usq s GLY 113 Ca 0.06 -0.08 -0.06 0.00 0.00 0.00 0.00 44.72 44.63 1usq s GLY 113 CO 0.02 0.36 0.04 -0.42 0.00 0.00 0.00 173.10 173.10 1usq s ILE 114 N -0.98 4.11 0.07 0.90 -1.09 -0.52 -1.73 121.20 121.95 1usq s ILE 114 Ca 0.27 -0.24 0.07 0.00 -2.23 0.00 0.00 60.65 58.52 1usq s ILE 114 Cb -0.18 -2.91 -0.03 0.00 -1.58 0.00 0.00 42.46 37.76 1usq s ILE 114 CO 0.16 0.36 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.72 1usq s TYR 115 N 1.54 1.75 0.20 3.97 2.02 -0.57 -0.07 117.35 126.20 1usq s TYR 115 Ca 0.06 -0.39 -0.32 0.00 -0.37 0.00 0.00 57.07 56.05 1usq s TYR 115 Cb -0.15 -1.01 -0.12 0.00 -0.40 0.00 0.00 41.96 40.28 1usq s TYR 115 CO 0.02 0.13 1.73 0.08 -1.57 0.00 0.00 175.55 175.94 1usq s VAL 116 N -0.95 2.11 -0.52 0.71 1.01 0.50 0.11 120.40 123.38 1usq s VAL 116 Ca 0.06 0.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 1usq s VAL 116 Cb -0.09 -3.02 0.13 0.00 0.00 0.00 0.00 36.38 33.39 1usq s VAL 116 CO 0.03 0.00 0.42 -0.62 0.00 0.00 0.00 175.10 174.93 1usq s ASP 117 N 1.37 5.89 0.00 3.32 2.15 -0.20 -0.45 116.67 128.74 1usq s ASP 117 Ca 0.75 -1.96 0.00 0.00 0.43 0.00 0.00 52.55 51.77 1usq s ASP 117 Cb -0.49 -2.07 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 1usq s ASP 117 CO 0.32 -0.72 0.00 0.61 -0.17 0.00 0.00 175.17 175.21 1usq n GLY 118 N 4.90 -0.12 3.68 2.66 0.00 -1.26 -4.66 105.19 110.38 1usq n GLY 118 Ca -0.08 -1.50 -0.47 0.00 0.00 0.00 0.00 46.02 43.97 1usq n GLY 118 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1usq n GLN 119 N 0.46 2.21 -2.76 1.61 1.13 -1.26 -4.15 117.38 114.62 1usq n GLN 119 Ca 0.00 0.81 -0.04 0.00 -1.94 0.00 0.00 57.00 55.82 1usq n GLN 119 Cb 0.00 -2.63 0.04 0.00 0.11 0.00 0.00 30.24 27.76 1usq n GLN 119 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1usq n GLN 120 N 5.56 1.45 0.00 -1.09 6.02 -0.62 -4.90 117.38 123.80 1usq n GLN 120 Ca 0.20 -3.35 0.10 0.00 -0.01 0.00 0.00 57.00 53.95 1usq n GLN 120 Cb 0.30 -1.40 0.61 0.00 1.02 0.00 0.00 30.24 30.77 1usq n GLN 120 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1usq n THR 121 N -0.37 0.00 -0.46 5.09 -2.24 -1.24 -2.14 114.28 112.93 1usq n THR 121 Ca 0.07 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.94 1usq n THR 121 Cb 0.81 -0.55 0.26 0.00 -2.10 0.00 0.00 70.33 68.75 1usq n THR 121 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1usq n ASN 122 N -0.93 3.78 -4.73 3.42 3.02 -1.26 -4.34 115.26 114.23 1usq n ASN 122 Ca 0.15 -2.28 -0.42 0.00 -0.03 0.00 0.00 54.58 52.00 1usq n ASN 122 Cb 0.07 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 38.79 1usq n ASN 122 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1usq s THR 123 N -1.52 2.02 0.36 3.41 2.01 -0.91 -4.93 115.64 116.08 1usq s THR 123 Ca 0.39 0.01 -0.28 0.00 0.31 0.00 0.00 61.69 62.12 1usq s THR 123 Cb 0.24 -3.01 -0.10 0.00 0.01 0.00 0.00 72.50 69.64 1usq s THR 123 CO 0.20 0.00 1.36 -2.84 -0.69 0.00 0.00 174.62 172.65 1usq s PRO 124 N 0.66 4.19 0.31 4.92 0.02 -1.26 -4.83 135.00 139.01 1usq s PRO 124 Ca 0.71 2.31 -0.30 0.00 0.02 0.00 0.00 61.00 63.74 1usq s PRO 124 Cb -0.49 -2.97 -0.11 0.00 0.02 0.00 0.00 34.50 30.95 1usq s PRO 124 CO 0.37 -0.36 1.59 -2.14 -0.33 0.00 0.00 177.00 176.13 1usq s PRO 125 N -1.99 4.10 0.00 5.54 0.02 -1.26 -4.84 135.00 136.57 1usq s PRO 125 Ca 0.52 2.61 0.00 0.00 0.02 0.00 0.00 61.00 64.15 1usq s PRO 125 Cb -0.41 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.10 1usq s PRO 125 CO 0.55 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.99 1usq n GLY 126 N 1.88 -1.73 3.62 0.52 0.00 -0.73 -4.97 105.19 103.77 1usq n GLY 126 Ca 0.07 -1.10 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 1usq n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1usq s ASN 127 N -1.20 5.77 0.03 1.61 0.01 -1.26 -0.89 114.94 119.01 1usq s ASN 127 Ca 0.00 0.05 0.07 0.00 -0.71 0.00 0.00 52.86 52.27 1usq s ASN 127 Cb 0.00 -2.02 -0.03 0.00 0.41 0.00 0.00 41.25 39.61 1usq s ASN 127 CO 0.00 0.09 -0.21 -0.31 -1.51 0.00 0.00 177.10 175.17 1usq s TYR 128 N 0.87 2.48 0.00 2.20 2.02 0.56 -1.17 117.35 124.31 1usq s TYR 128 Ca 0.05 -0.31 0.01 0.00 -0.37 0.00 0.00 57.07 56.45 1usq s TYR 128 Cb -0.13 -1.46 -0.00 0.00 -0.40 0.00 0.00 41.96 39.96 1usq s TYR 128 CO 0.03 0.18 -0.02 0.99 -1.57 0.00 0.00 175.55 175.15 1usq s THR 129 N -0.84 0.16 -0.10 -0.71 2.01 -0.26 -0.66 115.64 115.25 1usq s THR 129 Ca 0.13 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 61.93 1usq s THR 129 Cb -0.10 -0.17 0.02 0.00 0.01 0.00 0.00 72.50 72.26 1usq s THR 129 CO 0.03 -0.03 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.58 1usq s LEU 130 N -0.26 1.63 -0.16 4.42 2.96 0.49 -1.29 118.68 126.47 1usq s LEU 130 Ca -0.01 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1usq s LEU 130 Cb -0.02 -1.00 -0.01 0.00 0.50 0.00 0.00 46.19 45.66 1usq s LEU 130 CO -0.00 -0.00 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.04 1usq s THR 131 N 1.03 3.17 -0.10 3.68 2.01 -1.26 -0.14 115.64 124.03 1usq s THR 131 Ca -0.06 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.36 1usq s THR 131 Cb -0.15 -2.37 0.01 0.00 0.01 0.00 0.00 72.50 70.00 1usq s THR 131 CO -0.02 0.49 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.47 1usq s LEU 132 N 0.71 1.85 -0.10 4.42 1.43 -0.19 -1.83 118.68 124.97 1usq s LEU 132 Ca -0.05 -0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1usq s LEU 132 Cb -0.15 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 1usq s LEU 132 CO 0.02 0.06 -0.07 -0.89 0.23 0.00 0.00 176.35 175.70 1usq s THR 133 N 0.73 3.66 0.46 5.49 2.01 -0.40 -0.78 115.64 126.81 1usq s THR 133 Ca -0.11 -0.48 -0.20 0.00 0.31 0.00 0.00 61.69 61.21 1usq s THR 133 Cb -0.16 -2.53 -0.10 0.00 0.01 0.00 0.00 72.50 69.72 1usq s THR 133 CO 0.02 0.56 0.96 -0.83 -0.69 0.00 0.00 174.62 174.65 1usq s GLY 134 N -0.39 2.28 0.00 4.40 0.00 -0.48 -0.89 107.32 112.24 1usq s GLY 134 Ca 0.06 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.11 1usq s GLY 134 CO 0.02 0.61 0.00 0.61 0.00 0.00 0.00 173.10 174.34 1usq n GLY 135 N -0.94 -0.62 3.09 0.20 0.00 -0.26 -1.49 105.19 105.16 1usq n GLY 135 Ca 0.07 -0.54 -0.08 0.00 0.00 0.00 0.00 46.02 45.46 1usq n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1usq s TYR 136 N -3.26 0.35 -0.06 1.61 1.13 -0.68 -1.05 117.35 115.38 1usq s TYR 136 Ca 0.00 -0.76 -0.10 0.00 -1.41 0.00 0.00 57.07 54.80 1usq s TYR 136 Cb 0.00 -0.25 -0.05 0.00 -1.10 0.00 0.00 41.96 40.56 1usq s TYR 136 CO 0.00 -0.35 0.26 -0.46 -2.51 0.00 0.00 175.55 172.48 1usq s TRP 137 N -3.07 3.65 0.00 -3.49 -0.11 -0.15 -0.58 118.94 115.20 1usq s TRP 137 Ca -0.01 0.73 0.00 0.00 1.22 0.00 0.00 56.10 58.04 1usq s TRP 137 Cb 0.02 -2.09 0.00 0.00 -1.50 0.00 0.00 33.47 29.90 1usq s TRP 137 CO -0.07 0.70 0.00 0.00 -4.62 0.00 0.00 176.95 172.96