#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 -0.29 -0.09 1.61 1.04 -0.61 -5.00 113.70 110.36 1usq s SER 1 Ca 0.00 0.43 -0.16 0.00 0.48 0.00 0.00 55.95 56.70 1usq s SER 1 Cb 0.00 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.61 1usq s SER 1 CO 0.00 -0.27 0.43 0.12 0.98 0.00 0.00 173.24 174.49 1usq s PHE 2 N -0.51 3.58 -0.25 5.02 2.19 -1.26 -1.73 117.98 125.02 1usq s PHE 2 Ca -0.06 0.88 -0.03 0.00 0.33 0.00 0.00 56.93 58.05 1usq s PHE 2 Cb -0.04 -2.43 0.02 0.00 -1.31 0.00 0.00 43.02 39.26 1usq s PHE 2 CO 0.02 0.33 -0.04 0.99 1.83 0.00 0.00 175.22 178.36 1usq s THR 3 N 0.04 3.07 0.11 0.12 2.01 -0.04 -4.98 115.64 115.97 1usq s THR 3 Ca 0.24 -0.95 -0.31 0.00 0.31 0.00 0.00 61.69 60.97 1usq s THR 3 Cb -0.15 -2.56 -0.09 0.00 0.01 0.00 0.00 72.50 69.71 1usq s THR 3 CO 0.10 0.19 1.67 -2.84 -0.69 0.00 0.00 174.62 173.05 1usq s PRO 4 N 1.36 4.19 -0.43 4.92 0.02 -1.26 -1.61 135.00 142.18 1usq s PRO 4 Ca 0.01 2.41 0.01 0.00 0.02 0.00 0.00 61.00 63.44 1usq s PRO 4 Cb -0.17 -3.45 0.21 0.00 0.02 0.00 0.00 34.50 31.11 1usq s PRO 4 CO -0.03 -0.72 0.92 0.45 -0.33 0.00 0.00 177.00 177.29 1usq n SER 5 N 5.09 -2.48 0.00 2.53 2.88 -0.48 -4.92 113.62 116.23 1usq n SER 5 Ca 0.16 -2.04 0.00 0.00 -1.33 0.00 0.00 58.87 55.66 1usq n SER 5 Cb 0.39 1.28 0.00 0.00 -0.75 0.00 0.00 64.21 65.13 1usq n SER 5 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1usq n GLY 6 N 2.66 -1.51 3.98 0.46 0.00 -1.06 -3.57 105.19 106.15 1usq n GLY 6 Ca 0.14 -1.18 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.89 1.92 -0.11 2.61 -4.23 -1.26 -4.57 115.64 107.11 1usq s THR 7 Ca 0.00 -1.19 0.01 0.00 -1.18 0.00 0.00 61.69 59.32 1usq s THR 7 Cb 0.00 -2.12 -0.02 0.00 1.34 0.00 0.00 72.50 71.70 1usq s THR 7 CO 0.00 0.00 -0.12 -0.89 -0.54 0.00 0.00 174.62 173.07 1usq s THR 8 N -2.72 3.14 -0.15 3.99 2.01 -1.26 -1.22 115.64 119.43 1usq s THR 8 Ca 0.51 -0.65 -0.04 0.00 0.31 0.00 0.00 61.69 61.82 1usq s THR 8 Cb -0.04 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 1usq s THR 8 CO 0.32 0.54 -0.02 -0.83 -0.69 0.00 0.00 174.62 173.94 1usq s GLY 9 N 0.04 1.76 -0.21 4.40 0.00 -0.24 -4.98 107.32 108.09 1usq s GLY 9 Ca -0.04 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 43.88 1usq s GLY 9 CO 0.04 -0.12 -0.14 -1.59 0.00 0.00 0.00 173.10 171.29 1usq s THR 10 N 0.20 2.33 -0.26 0.90 2.01 -1.26 -1.03 115.64 118.53 1usq s THR 10 Ca -0.01 -1.09 -0.16 0.00 0.31 0.00 0.00 61.69 60.75 1usq s THR 10 Cb -0.13 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 1usq s THR 10 CO 0.02 0.34 0.40 -0.89 -0.69 0.00 0.00 174.62 173.80 1usq s THR 11 N 1.26 5.16 0.01 -0.82 2.01 0.90 -4.96 115.64 119.21 1usq s THR 11 Ca 0.01 0.65 0.08 0.00 0.31 0.00 0.00 61.69 62.74 1usq s THR 11 Cb -0.15 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 1usq s THR 11 CO -0.09 0.16 -0.25 -0.54 -0.69 0.00 0.00 174.62 173.21 1usq s LYS 12 N 1.96 1.91 -0.11 4.92 1.02 -1.26 -0.39 119.74 127.80 1usq s LYS 12 Ca 0.17 -0.98 -0.05 0.00 0.02 0.00 0.00 55.97 55.13 1usq s LYS 12 Cb -0.16 -1.94 0.05 0.00 -0.52 0.00 0.00 37.83 35.26 1usq s LYS 12 CO 0.09 0.52 0.24 -1.17 -0.92 0.00 0.00 175.35 174.12 1usq s LEU 13 N -0.87 0.26 -0.28 3.17 2.96 0.19 -4.64 118.68 119.47 1usq s LEU 13 Ca 0.10 0.53 -0.12 0.00 -0.22 0.00 0.00 54.13 54.43 1usq s LEU 13 Cb -0.10 0.71 -0.05 0.00 0.50 0.00 0.00 46.19 47.25 1usq s LEU 13 CO 0.00 -0.18 0.21 -0.89 -1.32 0.00 0.00 176.35 174.18 1usq s THR 14 N 1.52 5.29 -0.13 3.68 2.01 -0.47 -0.17 115.64 127.37 1usq s THR 14 Ca -0.07 0.19 -0.13 0.00 0.31 0.00 0.00 61.69 61.99 1usq s THR 14 Cb -0.11 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 1usq s THR 14 CO -0.08 0.22 0.29 -0.69 -0.69 0.00 0.00 174.62 173.66 1usq s VAL 15 N 1.79 5.29 0.36 3.82 1.01 0.23 -0.82 120.40 132.09 1usq s VAL 15 Ca 0.08 0.54 0.04 0.00 0.00 0.00 0.00 61.98 62.63 1usq s VAL 15 Cb -0.16 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1usq s VAL 15 CO 0.11 0.46 0.13 0.42 0.00 0.00 0.00 175.10 176.21 1usq s THR 16 N -0.01 0.61 0.41 3.92 -4.23 0.03 -1.32 115.64 115.04 1usq s THR 16 Ca 0.17 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.64 1usq s THR 16 Cb -0.13 -2.47 0.09 0.00 1.34 0.00 0.00 72.50 71.33 1usq s THR 16 CO 0.05 0.00 0.56 -0.62 -0.54 0.00 0.00 174.62 174.07 1usq n GLU 17 N -0.78 -0.19 -0.10 3.99 1.02 -1.26 -0.32 120.64 123.00 1usq n GLU 17 Ca -0.03 -1.13 -0.09 0.00 -0.02 0.00 0.00 57.16 55.89 1usq n GLU 17 Cb 0.65 -0.49 -0.01 0.00 -0.02 0.00 0.00 31.44 31.57 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 0.44 -6.65 3.49 3.64 -1.97 -3.35 116.57 112.17 1usq h LYS 18 Ca -0.18 -0.03 -0.56 0.00 -1.27 0.00 0.00 60.65 58.61 1usq h LYS 18 Cb 0.57 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.23 1usq h LYS 18 CO 0.16 0.30 0.96 0.00 -2.27 0.00 0.00 179.45 178.60 1usq s GLN 20 N 4.72 2.68 -0.37 0.00 0.74 -1.26 -5.05 119.66 121.12 1usq s GLN 20 Ca 0.47 -0.73 0.01 0.00 0.05 0.00 0.00 55.36 55.17 1usq s GLN 20 Cb -0.08 -2.22 0.11 0.00 1.10 0.00 0.00 33.01 31.92 1usq s GLN 20 CO 0.30 -0.05 0.12 0.08 -0.55 0.00 0.00 175.29 175.18 1usq s VAL 21 N 0.93 2.72 -0.27 1.34 1.01 -1.26 -5.08 120.40 119.79 1usq s VAL 21 Ca -0.06 -2.24 -0.26 0.00 0.00 0.00 0.00 61.98 59.42 1usq s VAL 21 Cb -0.15 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1usq s VAL 21 CO -0.03 -0.64 0.92 -0.13 0.00 0.00 0.00 175.10 175.22 1usq s ARG 22 N 0.98 4.13 -0.13 2.72 0.52 -1.26 -5.03 118.95 120.89 1usq s ARG 22 Ca 0.10 1.00 -0.00 0.00 -0.52 0.00 0.00 55.73 56.30 1usq s ARG 22 Cb -0.21 -3.68 -0.02 0.00 0.52 0.00 0.00 34.95 31.57 1usq s ARG 22 CO -0.06 -0.66 -0.12 0.08 0.02 0.00 0.00 175.30 174.56 1usq s VAL 23 N 3.12 3.15 0.00 3.52 1.01 -1.26 -5.03 120.40 124.91 1usq s VAL 23 Ca 0.39 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1usq s VAL 23 Cb -0.14 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.91 1usq s VAL 23 CO 0.10 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.33 1usq n GLY 24 N 3.46 -0.73 3.66 4.51 0.00 -1.26 -4.91 105.19 109.92 1usq n GLY 24 Ca -0.18 -1.16 -0.36 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.94 1.05 -4.69 1.61 10.43 -1.26 -4.90 116.55 117.85 1usq n ASP 25 Ca 0.00 0.70 -0.44 0.00 2.57 0.00 0.00 54.79 57.62 1usq n ASP 25 Cb 0.00 -1.47 -0.02 0.00 1.84 0.00 0.00 41.12 41.47 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 -2.02 3.46 -4.16 0.64 7.94 -1.26 -5.01 117.00 116.59 1usq n LEU 26 Ca 0.14 1.14 -0.11 0.00 -1.11 0.00 0.00 56.01 56.07 1usq n LEU 26 Cb 0.49 -1.48 -0.10 0.00 0.53 0.00 0.00 43.42 42.87 1usq n LEU 26 CO 0.48 -0.29 -0.26 0.42 -1.11 0.00 0.00 177.39 176.63 1usq s THR 27 N 0.02 0.06 -0.22 1.96 -4.23 -1.26 -5.11 115.64 106.86 1usq s THR 27 Ca 0.68 -1.93 -0.29 0.00 -1.18 0.00 0.00 61.69 58.97 1usq s THR 27 Cb -0.61 -2.22 -0.01 0.00 1.34 0.00 0.00 72.50 71.00 1usq s THR 27 CO 0.48 -0.27 1.40 -0.69 -0.54 0.00 0.00 174.62 175.01 1usq s VAL 28 N -4.09 4.01 0.01 2.29 1.01 -1.26 -4.99 120.40 117.38 1usq s VAL 28 Ca 0.30 1.17 0.01 0.00 0.00 0.00 0.00 61.98 63.46 1usq s VAL 28 Cb 0.07 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 1usq s VAL 28 CO 0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 175.10 174.82 1usq s ALA 29 N 4.35 0.21 -0.00 5.51 0.00 -1.26 -1.37 121.76 129.19 1usq s ALA 29 Ca 0.61 -0.27 -0.03 0.00 0.00 0.00 0.00 51.96 52.28 1usq s ALA 29 Cb -0.21 0.01 -0.00 0.00 0.00 0.00 0.00 23.12 22.91 1usq s ALA 29 CO 0.23 -0.01 0.06 0.15 0.00 0.00 0.00 175.76 176.19 1usq s LYS 30 N -0.51 0.27 0.61 0.00 1.02 -0.00 -4.94 119.74 116.18 1usq s LYS 30 Ca -0.04 -0.28 -0.15 0.00 0.02 0.00 0.00 55.97 55.52 1usq s LYS 30 Cb -0.04 0.11 -0.03 0.00 -0.52 0.00 0.00 37.83 37.35 1usq s LYS 30 CO -0.00 -0.05 1.06 0.95 -0.92 0.00 0.00 175.35 176.39 1usq s THR 31 N -0.87 3.77 0.52 2.17 -4.23 -1.26 -0.79 115.64 114.94 1usq s THR 31 Ca -0.10 0.81 0.28 0.00 -1.18 0.00 0.00 61.69 61.51 1usq s THR 31 Cb -0.06 -3.35 0.32 0.00 1.34 0.00 0.00 72.50 70.75 1usq s THR 31 CO 0.00 -0.52 2.17 0.08 -0.54 0.00 0.00 174.62 175.82 1usq h ARG 32 N 0.30 0.00 0.00 3.99 0.11 -0.95 -1.22 114.38 116.62 1usq h ARG 32 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 1usq h ARG 32 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 1usq h ARG 32 CO 0.57 0.05 0.00 0.78 0.10 0.00 0.00 179.97 181.47 1usq h GLY 33 N 0.35 0.00 0.42 0.08 0.00 -1.84 -1.90 103.07 100.19 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 -0.13 -1.06 0.00 0.00 0.00 176.54 175.36 1usq n GLN 34 N -2.93 0.95 -1.95 4.80 6.02 -0.46 -4.47 117.38 119.34 1usq n GLN 34 Ca -0.01 -0.45 -0.40 0.00 -0.01 0.00 0.00 57.00 56.14 1usq n GLN 34 Cb 0.19 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 29.96 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 -0.64 8.07 -4.94 1.08 4.77 -0.71 -4.86 117.00 119.77 1usq n LEU 35 Ca 0.15 -4.84 -0.24 0.00 -0.03 0.00 0.00 56.01 51.04 1usq n LEU 35 Cb 0.30 -1.38 0.03 0.00 -2.33 0.00 0.00 43.42 40.04 1usq n LEU 35 CO 0.23 2.04 0.43 0.42 -1.33 0.00 0.00 177.39 179.17 1usq s THR 36 N -0.85 3.56 0.22 -5.08 -4.23 -1.26 -1.20 115.64 106.80 1usq s THR 36 Ca 0.55 -0.28 -0.32 0.00 -1.18 0.00 0.00 61.69 60.46 1usq s THR 36 Cb 0.18 -3.37 -0.12 0.00 1.34 0.00 0.00 72.50 70.53 1usq s THR 36 CO -0.09 -0.33 1.68 -0.67 -0.54 0.00 0.00 174.62 174.67 1usq n ASP 37 N -2.39 3.86 0.00 3.99 2.03 -1.26 -1.95 116.55 120.83 1usq n ASP 37 Ca 0.04 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.43 1usq n ASP 37 Cb 0.58 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 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 3.48 0.00 -1.70 -1.67 0.00 0.34 -4.95 120.51 116.01 1usq n ALA 38 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.15 1usq n ALA 38 Cb 0.35 -0.22 -0.03 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 2.32 -2.19 0.00 0.00 -0.82 -4.55 120.51 116.27 1usq n ALA 39 Ca 0.00 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 1usq n ALA 39 Cb 0.03 -2.47 -0.03 0.00 0.00 0.00 0.00 19.45 16.97 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 1.21 4.46 -0.24 0.00 0.04 -1.26 0.20 135.00 139.41 1usq s PRO 40 Ca 0.77 1.85 -0.16 0.00 0.04 0.00 0.00 61.00 63.50 1usq s PRO 40 Cb -0.56 -3.28 -0.16 0.00 0.04 0.00 0.00 34.50 30.54 1usq s PRO 40 CO 0.34 -0.18 -0.05 -0.89 0.04 0.00 0.00 177.00 176.27 1usq n ILE 41 N 3.13 1.55 0.00 0.56 5.41 0.30 -4.90 119.36 125.40 1usq n ILE 41 Ca 0.07 -0.25 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1usq n ILE 41 Cb 0.45 -1.92 0.00 0.00 -0.71 0.00 0.00 39.64 37.46 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 1.43 1.09 3.90 7.39 0.00 -1.20 -5.03 105.19 112.76 1usq n GLY 42 Ca -0.43 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 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 3.66 -0.17 1.61 0.04 -1.26 -1.75 135.00 135.13 1usq s PRO 43 Ca 0.00 0.13 -0.00 0.00 0.04 0.00 0.00 61.00 61.17 1usq s PRO 43 Cb 0.00 -2.56 0.04 0.00 0.04 0.00 0.00 34.50 32.02 1usq s PRO 43 CO 0.00 0.12 -0.06 0.08 0.04 0.00 0.00 177.00 177.18 1usq s VAL 44 N -2.21 1.17 0.40 -0.36 1.01 0.84 -4.95 120.40 116.30 1usq s VAL 44 Ca 0.46 -0.67 -0.23 0.00 0.00 0.00 0.00 61.98 61.54 1usq s VAL 44 Cb -0.11 -1.33 -0.09 0.00 0.00 0.00 0.00 36.38 34.85 1usq s VAL 44 CO 0.31 0.14 1.02 0.42 0.00 0.00 0.00 175.10 176.99 1usq s THR 45 N 1.61 3.88 -0.03 3.92 -4.23 -1.26 -0.12 115.64 119.41 1usq s THR 45 Ca 0.01 1.39 0.00 0.00 -1.18 0.00 0.00 61.69 61.91 1usq s THR 45 Cb -0.15 -3.69 0.02 0.00 1.34 0.00 0.00 72.50 70.02 1usq s THR 45 CO -0.08 -0.04 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.27 1usq s VAL 46 N -1.75 0.17 -0.23 2.29 1.01 -0.29 -4.91 120.40 116.70 1usq s VAL 46 Ca 0.58 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.58 1usq s VAL 46 Cb -0.19 -0.25 0.08 0.00 0.00 0.00 0.00 36.38 36.01 1usq s VAL 46 CO 0.24 0.13 0.10 -1.10 0.00 0.00 0.00 175.10 174.47 1usq s GLN 47 N 0.86 0.25 0.10 2.72 -1.52 -1.26 -1.17 119.66 119.64 1usq s GLN 47 Ca -0.09 -0.36 -0.06 0.00 -1.95 0.00 0.00 55.36 52.90 1usq s GLN 47 Cb -0.12 -1.66 -0.05 0.00 -0.22 0.00 0.00 33.01 30.96 1usq s GLN 47 CO -0.02 -0.81 0.36 0.00 -0.25 0.00 0.00 175.29 174.58 1usq s ALA 48 N 2.04 3.79 -0.01 6.09 0.00 -0.44 -5.01 121.76 128.22 1usq s ALA 48 Ca 0.04 -0.52 -0.00 0.00 0.00 0.00 0.00 51.96 51.48 1usq s ALA 48 Cb -0.16 -2.15 0.01 0.00 0.00 0.00 0.00 23.12 20.82 1usq s ALA 48 CO -0.20 0.64 0.02 -0.51 0.00 0.00 0.00 175.76 175.71 1usq s LEU 49 N -2.32 1.61 -0.45 0.00 1.02 -1.26 -4.58 118.68 112.70 1usq s LEU 49 Ca 0.37 0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.54 1usq s LEU 49 Cb -0.13 -0.01 0.00 0.00 0.02 0.00 0.00 46.19 46.07 1usq s LEU 49 CO 0.22 -0.05 0.00 0.61 0.02 0.00 0.00 176.35 177.14 1usq n GLY 50 N 3.53 0.52 1.79 -3.19 0.00 -1.26 -4.94 105.19 101.64 1usq n GLY 50 Ca -0.19 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 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 1.72 0.00 -0.02 0.00 3.04 -1.92 -1.80 116.42 117.44 1usq h ASP 52 Ca 0.37 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.16 1usq h ASP 52 Cb 1.42 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.71 1usq h ASP 52 CO 0.82 0.08 0.00 0.00 -2.04 0.00 0.00 179.24 178.10 1usq n ALA 53 N -2.31 2.29 -2.28 4.15 0.00 -1.26 -3.85 120.51 117.25 1usq n ALA 53 Ca -0.02 -2.47 -0.14 0.00 0.00 0.00 0.00 53.44 50.82 1usq n ALA 53 Cb 0.18 -0.38 -0.10 0.00 0.00 0.00 0.00 19.45 19.15 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 -2.71 0.97 -0.37 0.00 1.81 -1.08 -4.93 118.95 112.64 1usq s ARG 54 Ca 0.30 -1.36 -0.18 0.00 -1.72 0.00 0.00 55.73 52.77 1usq s ARG 54 Cb 0.26 -0.52 0.00 0.00 -0.45 0.00 0.00 34.95 34.24 1usq s ARG 54 CO 0.03 0.06 0.51 -0.65 -0.68 0.00 0.00 175.30 174.57 1usq s GLN 55 N -3.55 3.50 0.36 3.54 -0.21 -1.24 -1.61 119.66 120.44 1usq s GLN 55 Ca 0.13 -0.29 -0.28 0.00 0.02 0.00 0.00 55.36 54.94 1usq s GLN 55 Cb 0.02 -3.85 -0.11 0.00 1.00 0.00 0.00 33.01 30.07 1usq s GLN 55 CO -0.01 -0.71 1.47 0.28 -2.12 0.00 0.00 175.29 174.20 1usq n VAL 56 N 5.47 1.85 -3.81 1.09 0.31 -1.26 -0.25 118.33 121.72 1usq n VAL 56 Ca -0.05 -0.46 -0.11 0.00 -0.01 0.00 0.00 64.34 63.71 1usq n VAL 56 Cb 0.49 -1.90 -0.08 0.00 -0.91 0.00 0.00 33.84 31.44 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 -0.94 -0.48 -0.07 3.52 0.00 -0.16 -0.89 121.76 122.75 1usq s ALA 57 Ca 0.55 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.37 1usq s ALA 57 Cb -0.50 0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.92 1usq s ALA 57 CO 0.61 -0.38 -0.18 -0.51 0.00 0.00 0.00 175.76 175.30 1usq s LEU 58 N -2.08 1.87 -0.14 0.00 2.01 -0.26 -1.27 118.68 118.82 1usq s LEU 58 Ca -0.05 -0.41 -0.01 0.00 0.01 0.00 0.00 54.13 53.67 1usq s LEU 58 Cb -0.01 -1.08 -0.02 0.00 0.01 0.00 0.00 46.19 45.09 1usq s LEU 58 CO -0.04 0.11 -0.10 -0.75 1.01 0.00 0.00 176.35 176.59 1usq s LYS 59 N 0.39 3.47 0.25 1.70 2.20 -0.12 -0.63 119.74 127.01 1usq s LYS 59 Ca -0.13 -0.63 -0.19 0.00 -0.36 0.00 0.00 55.97 54.66 1usq s LYS 59 Cb -0.16 -2.73 -0.09 0.00 -1.51 0.00 0.00 37.83 33.35 1usq s LYS 59 CO 0.05 0.23 0.74 0.00 -0.36 0.00 0.00 175.35 176.02 1usq s ALA 60 N 0.32 3.38 0.68 3.13 0.00 -0.05 -0.53 121.76 128.70 1usq s ALA 60 Ca -0.08 0.16 -0.17 0.00 0.00 0.00 0.00 51.96 51.87 1usq s ALA 60 Cb -0.15 -2.83 -0.02 0.00 0.00 0.00 0.00 23.12 20.12 1usq s ALA 60 CO 0.05 0.32 0.92 -0.25 0.00 0.00 0.00 175.76 176.79 1usq n ASP 61 N 0.46 0.39 -0.19 0.00 9.92 -0.71 -4.85 116.55 121.57 1usq n ASP 61 Ca -0.01 0.70 0.17 0.00 -0.53 0.00 0.00 54.79 55.12 1usq n ASP 61 Cb 0.51 -1.38 0.51 0.00 -0.64 0.00 0.00 41.12 40.12 1usq n ASP 61 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1usq h THR 62 N -0.04 0.76 0.00 -3.53 2.02 -1.93 -0.11 112.91 110.08 1usq h THR 62 Ca -0.48 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1usq h THR 62 Cb 1.35 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1usq h THR 62 CO 0.48 0.07 0.00 0.47 0.37 0.00 0.00 175.52 176.91 1usq n ASP 63 N -4.48 0.00 -0.61 4.18 8.00 -1.26 -3.59 116.55 118.79 1usq n ASP 63 Ca 0.16 -0.60 0.06 0.00 0.71 0.00 0.00 54.79 55.12 1usq n ASP 63 Cb 0.59 -0.10 0.13 0.00 -0.02 0.00 0.00 41.12 41.72 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 2.71 -3.69 -2.24 3.02 -0.05 -4.75 115.26 109.16 1usq n ASN 64 Ca 0.18 -1.87 -0.11 0.00 -0.03 0.00 0.00 54.58 52.74 1usq n ASN 64 Cb 0.13 -0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 39.06 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 -0.99 -0.16 -0.30 3.10 -0.12 -1.24 -1.12 117.98 117.16 1usq s PHE 65 Ca 0.21 -0.05 -0.21 0.00 -0.05 0.00 0.00 56.93 56.83 1usq s PHE 65 Cb 0.12 0.18 0.19 0.00 -0.63 0.00 0.00 43.02 42.88 1usq s PHE 65 CO 0.16 -0.61 1.32 -2.00 -0.05 0.00 0.00 175.22 174.04 1usq s GLU 66 N -3.17 0.09 -1.21 1.99 2.12 -0.58 -4.99 118.70 112.95 1usq s GLU 66 Ca -0.01 0.13 -0.01 0.00 0.36 0.00 0.00 54.97 55.45 1usq s GLU 66 Cb 0.01 0.03 -0.01 0.00 0.26 0.00 0.00 34.13 34.43 1usq s GLU 66 CO -0.07 -0.02 0.92 0.94 -0.54 0.00 0.00 175.26 176.49 1usq n GLN 67 N 2.39 -5.77 -0.84 4.30 7.27 -1.26 -1.68 117.38 121.80 1usq n GLN 67 Ca -0.14 0.79 0.00 0.00 0.07 0.00 0.00 57.00 57.72 1usq n GLN 67 Cb 0.57 -5.68 0.00 0.00 2.41 0.00 0.00 30.24 27.54 1usq n GLN 67 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1usq n GLY 68 N -1.25 0.00 3.58 1.69 0.00 -1.26 -4.93 105.19 103.01 1usq n GLY 68 Ca -0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.68 2.69 0.12 1.61 1.02 -0.68 -5.01 119.74 117.82 1usq s LYS 69 Ca 0.00 -0.59 0.03 0.00 0.02 0.00 0.00 55.97 55.43 1usq s LYS 69 Cb 0.00 -2.55 -0.04 0.00 -0.52 0.00 0.00 37.83 34.72 1usq s LYS 69 CO 0.00 0.65 0.15 -0.06 -0.92 0.00 0.00 175.35 175.17 1usq s PHE 70 N -0.84 3.25 -0.10 3.18 0.40 -1.26 -1.53 117.98 121.09 1usq s PHE 70 Ca 0.13 0.06 -0.28 0.00 -0.60 0.00 0.00 56.93 56.24 1usq s PHE 70 Cb -0.11 -1.60 0.07 0.00 0.51 0.00 0.00 43.02 41.89 1usq s PHE 70 CO 0.02 0.53 0.66 -0.59 0.70 0.00 0.00 175.22 176.54 1usq s PHE 71 N -1.61 -0.65 0.47 0.36 -0.12 -0.28 -2.01 117.98 114.14 1usq s PHE 71 Ca 0.31 1.25 -0.21 0.00 -0.05 0.00 0.00 56.93 58.23 1usq s PHE 71 Cb -0.11 0.35 -0.08 0.00 -0.63 0.00 0.00 43.02 42.55 1usq s PHE 71 CO 0.24 -0.54 1.07 -0.51 -0.05 0.00 0.00 175.22 175.43 1usq s LEU 72 N -0.83 3.91 -0.00 -1.99 1.02 0.05 -4.53 118.68 116.31 1usq s LEU 72 Ca -0.09 2.02 0.07 0.00 0.02 0.00 0.00 54.13 56.16 1usq s LEU 72 Cb -0.01 -4.45 -0.02 0.00 0.02 0.00 0.00 46.19 41.73 1usq s LEU 72 CO 0.07 -0.79 -0.21 -0.51 0.02 0.00 0.00 176.35 174.93 1usq s ILE 73 N -1.84 1.68 0.89 -0.59 1.10 -0.49 -1.00 121.20 120.96 1usq s ILE 73 Ca 0.66 -0.97 -0.11 0.00 -0.51 0.00 0.00 60.65 59.72 1usq s ILE 73 Cb -0.20 -1.41 0.13 0.00 0.15 0.00 0.00 42.46 41.13 1usq s ILE 73 CO 0.24 0.42 1.10 -0.94 -2.11 0.00 0.00 174.94 173.66 1usq s SER 74 N -0.63 3.37 0.42 4.50 1.04 -0.45 -1.08 113.70 120.87 1usq s SER 74 Ca 0.08 1.83 0.14 0.00 0.48 0.00 0.00 55.95 58.48 1usq s SER 74 Cb -0.08 -2.43 1.01 0.00 0.10 0.00 0.00 66.02 64.62 1usq s SER 74 CO -0.00 -2.76 1.95 0.44 0.98 0.00 0.00 173.24 173.85 1usq h ASP 75 N -1.63 0.40 -0.12 7.02 3.32 -1.46 -0.22 116.42 123.73 1usq h ASP 75 Ca -0.47 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1usq h ASP 75 Cb 1.27 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1usq h ASP 75 CO 0.49 0.23 0.00 -0.46 -1.72 0.00 0.00 179.24 177.78 1usq n ASN 76 N -4.48 1.04 0.00 6.45 2.04 -1.26 -4.91 115.26 114.14 1usq n ASN 76 Ca 0.12 -1.66 0.00 0.00 -0.44 0.00 0.00 54.58 52.60 1usq n ASN 76 Cb 0.42 -0.08 0.00 0.00 -2.53 0.00 0.00 39.78 37.60 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 -0.07 -2.59 -0.06 0.53 4.05 -0.10 -4.87 115.26 112.14 1usq n ASN 77 Ca 0.14 0.00 -0.21 0.00 0.45 0.00 0.00 54.58 54.96 1usq n ASN 77 Cb 0.22 -1.52 -0.13 0.00 1.23 0.00 0.00 39.78 39.58 1usq n ASN 77 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 1usq n ARG 78 N -1.55 0.68 -3.81 1.20 0.63 -1.26 -4.88 116.66 107.68 1usq n ARG 78 Ca 0.00 0.28 -0.35 0.00 -0.92 0.00 0.00 57.85 56.86 1usq n ARG 78 Cb 0.13 -1.64 -0.08 0.00 0.45 0.00 0.00 32.46 31.32 1usq n ARG 78 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1usq s ASP 79 N -6.92 6.11 -0.04 6.15 1.01 -1.26 -4.96 116.67 116.77 1usq s ASP 79 Ca -0.28 0.23 -0.02 0.00 0.71 0.00 0.00 52.55 53.18 1usq s ASP 79 Cb 0.08 -2.06 -0.04 0.00 1.01 0.00 0.00 42.92 41.92 1usq s ASP 79 CO 0.67 0.21 0.10 -0.54 0.21 0.00 0.00 175.17 175.81 1usq s LYS 80 N 0.18 3.18 -0.37 8.23 1.02 -1.26 -1.34 119.74 129.38 1usq s LYS 80 Ca 0.08 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 55.71 1usq s LYS 80 Cb -0.11 -2.94 0.11 0.00 -0.52 0.00 0.00 37.83 34.36 1usq s LYS 80 CO -0.01 0.68 0.12 -1.17 -0.92 0.00 0.00 175.35 174.06 1usq s LEU 81 N -1.52 3.63 0.29 3.17 2.96 -0.17 -4.98 118.68 122.06 1usq s LEU 81 Ca 0.21 -2.19 -0.30 0.00 -0.22 0.00 0.00 54.13 51.64 1usq s LEU 81 Cb -0.12 -1.31 -0.11 0.00 0.50 0.00 0.00 46.19 45.16 1usq s LEU 81 CO 0.11 -0.35 1.47 -0.31 -1.32 0.00 0.00 176.35 175.94 1usq s TYR 82 N 0.88 2.90 0.13 5.38 1.51 -1.26 -0.77 117.35 126.12 1usq s TYR 82 Ca 0.12 1.04 0.01 0.00 -1.01 0.00 0.00 57.07 57.23 1usq s TYR 82 Cb -0.20 -3.89 -0.04 0.00 -0.11 0.00 0.00 41.96 37.72 1usq s TYR 82 CO -0.11 -2.82 -0.00 0.14 -1.11 0.00 0.00 175.55 171.64 1usq s VAL 83 N -0.31 0.48 -0.06 0.71 -7.23 -0.85 -0.92 120.40 112.22 1usq s VAL 83 Ca 0.58 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.83 1usq s VAL 83 Cb -0.44 -1.93 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 1usq s VAL 83 CO 0.48 -0.63 -0.05 0.20 -0.31 0.00 0.00 175.10 174.79 1usq s ASN 84 N -3.08 4.77 -0.19 4.85 0.01 0.55 -4.33 114.94 117.52 1usq s ASN 84 Ca 0.19 -0.01 -0.02 0.00 -0.71 0.00 0.00 52.86 52.31 1usq s ASN 84 Cb 0.06 -1.22 -0.00 0.00 0.41 0.00 0.00 41.25 40.50 1usq s ASN 84 CO -0.00 0.35 -0.09 -0.63 -1.51 0.00 0.00 177.10 175.21 1usq s ILE 85 N -0.87 3.05 -0.14 0.60 1.01 -1.26 -1.39 121.20 122.21 1usq s ILE 85 Ca 0.14 -0.61 -0.07 0.00 0.00 0.00 0.00 60.65 60.10 1usq s ILE 85 Cb -0.11 -2.35 0.05 0.00 0.01 0.00 0.00 42.46 40.06 1usq s ILE 85 CO 0.03 0.47 0.32 -0.60 0.00 0.00 0.00 174.94 175.16 1usq s ARG 86 N 1.20 0.28 0.40 2.79 3.52 -0.61 -4.98 118.95 121.56 1usq s ARG 86 Ca 0.02 0.67 -0.26 0.00 -0.13 0.00 0.00 55.73 56.03 1usq s ARG 86 Cb -0.14 -0.06 -0.09 0.00 -1.56 0.00 0.00 34.95 33.10 1usq s ARG 86 CO -0.03 -0.17 1.28 -1.25 -0.81 0.00 0.00 175.30 174.31 1usq s PRO 87 N 1.45 3.99 0.55 5.12 0.04 -1.26 -0.31 135.00 144.57 1usq s PRO 87 Ca -0.08 2.10 0.33 0.00 0.04 0.00 0.00 61.00 63.39 1usq s PRO 87 Cb -0.10 -2.76 1.38 0.00 0.04 0.00 0.00 34.50 33.06 1usq s PRO 87 CO -0.10 -0.45 1.99 1.79 0.04 0.00 0.00 177.00 180.26 1usq h THR 88 N 2.46 0.06 -3.58 1.26 1.35 -1.63 -3.45 112.91 109.39 1usq h THR 88 Ca -0.49 -0.54 -0.11 0.00 -0.55 0.00 0.00 66.41 64.71 1usq h THR 88 Cb 1.24 1.51 0.02 0.00 -1.73 0.00 0.00 68.15 69.20 1usq h THR 88 CO 0.63 0.02 0.04 -0.90 -0.25 0.00 0.00 175.52 175.06 1usq n ASP 89 N -3.13 0.28 -1.36 5.36 3.85 -1.26 -4.98 116.55 115.30 1usq n ASP 89 Ca 0.00 -1.25 -0.01 0.00 -0.71 0.00 0.00 54.79 52.82 1usq n ASP 89 Cb 0.30 -0.17 0.18 0.00 -1.35 0.00 0.00 41.12 40.08 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 -3.02 3.47 -4.80 -1.12 3.02 -1.26 -4.97 115.26 106.59 1usq n ASN 90 Ca 0.04 -2.60 -0.35 0.00 -0.03 0.00 0.00 54.58 51.64 1usq n ASN 90 Cb 0.14 -0.62 -0.06 0.00 -0.61 0.00 0.00 39.78 38.63 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 -0.34 7.09 -0.16 6.41 1.04 -1.26 -5.04 113.70 121.44 1usq s SER 91 Ca 0.29 1.79 -0.15 0.00 0.48 0.00 0.00 55.95 58.36 1usq s SER 91 Cb 0.23 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.74 1usq s SER 91 CO 0.08 -0.25 0.36 0.00 0.98 0.00 0.00 173.24 174.41 1usq s ALA 92 N -1.87 3.55 0.22 5.32 0.00 -1.26 -4.87 121.76 122.84 1usq s ALA 92 Ca 0.56 -0.40 0.07 0.00 0.00 0.00 0.00 51.96 52.20 1usq s ALA 92 Cb -0.15 -2.51 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 1usq s ALA 92 CO 0.19 -0.01 -0.11 -1.58 0.00 0.00 0.00 175.76 174.25 1usq s TRP 93 N 0.69 1.71 0.03 0.00 0.52 -1.26 -0.91 118.94 119.72 1usq s TRP 93 Ca 0.20 -0.64 0.06 0.00 0.02 0.00 0.00 56.10 55.74 1usq s TRP 93 Cb -0.14 -0.85 -0.02 0.00 -1.15 0.00 0.00 33.47 31.31 1usq s TRP 93 CO 0.06 0.29 -0.18 0.99 0.02 0.00 0.00 176.95 178.13 1usq s THR 94 N -3.05 1.47 -0.19 2.01 2.01 1.00 -4.85 115.64 114.05 1usq s THR 94 Ca 0.24 -1.08 -0.06 0.00 0.31 0.00 0.00 61.69 61.10 1usq s THR 94 Cb 0.01 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 1usq s THR 94 CO 0.07 0.18 0.04 -0.89 -0.69 0.00 0.00 174.62 173.33 1usq s THR 95 N -0.75 4.45 -0.28 -0.82 2.01 -1.26 -0.80 115.64 118.20 1usq s THR 95 Ca 0.06 -0.15 -0.03 0.00 0.31 0.00 0.00 61.69 61.88 1usq s THR 95 Cb -0.08 -3.01 0.11 0.00 0.01 0.00 0.00 72.50 69.53 1usq s THR 95 CO 0.01 0.44 0.18 -0.62 -0.69 0.00 0.00 174.62 173.94 1usq s ASP 96 N 0.62 2.85 -1.17 3.53 3.68 0.12 -4.97 116.67 121.32 1usq s ASP 96 Ca 0.02 -1.04 -0.23 0.00 2.13 0.00 0.00 52.55 53.42 1usq s ASP 96 Cb -0.13 -0.08 0.01 0.00 -1.45 0.00 0.00 42.92 41.26 1usq s ASP 96 CO 0.02 -0.41 0.74 -3.20 0.13 0.00 0.00 175.17 172.45 1usq n ASN 97 N 5.27 -4.74 0.00 -0.34 5.15 -1.26 -1.71 115.26 117.64 1usq n ASN 97 Ca -0.05 -1.09 0.00 0.00 -0.60 0.00 0.00 54.58 52.84 1usq n ASN 97 Cb 0.44 -2.92 0.00 0.00 -0.53 0.00 0.00 39.78 36.77 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 -1.81 1.43 3.54 8.20 0.00 -1.26 -5.00 105.19 110.28 1usq n GLY 98 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.82 3.90 -0.32 1.61 1.01 -0.69 -0.87 120.40 122.21 1usq s VAL 99 Ca 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 1usq s VAL 99 Cb 0.00 -2.67 0.07 0.00 0.00 0.00 0.00 36.38 33.78 1usq s VAL 99 CO 0.00 0.53 0.03 0.12 0.00 0.00 0.00 175.10 175.78 1usq s PHE 100 N -0.06 3.42 0.11 5.22 5.36 0.20 0.11 117.98 132.34 1usq s PHE 100 Ca 0.02 -2.26 0.10 0.00 -0.96 0.00 0.00 56.93 53.83 1usq s PHE 100 Cb -0.13 -2.45 -0.04 0.00 -0.34 0.00 0.00 43.02 40.06 1usq s PHE 100 CO 0.03 -0.88 -0.26 1.52 -1.46 0.00 0.00 175.22 174.17 1usq s TYR 101 N 1.14 2.20 0.25 10.12 1.13 0.02 -1.10 117.35 131.11 1usq s TYR 101 Ca -0.00 -0.39 -0.30 0.00 -1.41 0.00 0.00 57.07 54.97 1usq s TYR 101 Cb -0.20 -1.21 -0.09 0.00 -1.10 0.00 0.00 41.96 39.35 1usq s TYR 101 CO -0.04 0.28 1.21 0.21 -2.51 0.00 0.00 175.55 174.71 1usq s LYS 102 N -1.90 4.49 0.34 -3.49 2.20 -0.06 -0.00 119.74 121.31 1usq s LYS 102 Ca 0.12 1.96 0.06 0.00 -0.36 0.00 0.00 55.97 57.76 1usq s LYS 102 Cb -0.10 -3.18 0.61 0.00 -1.51 0.00 0.00 37.83 33.66 1usq s LYS 102 CO 0.05 -0.04 1.83 -0.91 -0.36 0.00 0.00 175.35 175.92 1usq h ASN 103 N 4.36 0.34 -3.12 1.43 -0.26 -1.35 -3.43 115.58 113.54 1usq h ASN 103 Ca -0.46 -0.09 -0.63 0.00 -0.56 0.00 0.00 56.30 54.56 1usq h ASN 103 Cb 1.22 -0.09 -0.11 0.00 -1.06 0.00 0.00 38.32 38.27 1usq h ASN 103 CO 0.70 0.54 -0.66 -0.62 -1.06 0.00 0.00 177.43 176.33 1usq s ASP 104 N -6.83 4.94 0.94 5.81 2.15 -1.26 -5.04 116.67 117.37 1usq s ASP 104 Ca -0.06 -0.27 -0.12 0.00 0.43 0.00 0.00 52.55 52.53 1usq s ASP 104 Cb 0.15 -1.13 0.15 0.00 -0.30 0.00 0.00 42.92 41.79 1usq s ASP 104 CO 0.76 0.13 1.10 0.68 -0.17 0.00 0.00 175.17 177.67 1usq s VAL 105 N -1.50 2.31 0.00 1.11 -7.23 -1.26 -4.53 120.40 109.29 1usq s VAL 105 Ca 0.27 0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.53 1usq s VAL 105 Cb -0.11 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.17 1usq s VAL 105 CO 0.19 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.46 1usq n GLY 106 N -1.40 4.31 3.12 2.32 0.00 -0.64 -4.93 105.19 107.97 1usq n GLY 106 Ca 0.06 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 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 4.70 -4.77 1.61 7.64 -1.17 -4.42 113.62 117.21 1usq n SER 107 Ca 0.00 -2.95 -0.39 0.00 1.01 0.00 0.00 58.87 56.53 1usq n SER 107 Cb 0.00 -1.62 -0.02 0.00 -1.01 0.00 0.00 64.21 61.56 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 2.48 3.10 -0.04 1.43 -0.00 -1.26 -4.67 118.94 119.98 1usq s TRP 108 Ca 0.46 1.52 0.04 0.00 -0.00 0.00 0.00 56.10 58.12 1usq s TRP 108 Cb 0.07 -3.48 -0.00 0.00 -0.00 0.00 0.00 33.47 30.06 1usq s TRP 108 CO -0.01 -1.44 -0.15 0.20 -0.00 0.00 0.00 176.95 175.56 1usq s GLY 109 N -0.89 0.83 0.00 5.86 0.00 -1.26 -1.32 107.32 110.54 1usq s GLY 109 Ca 0.53 -0.59 -0.27 0.00 0.00 0.00 0.00 44.72 44.39 1usq s GLY 109 CO 0.44 -0.25 1.25 0.61 0.00 0.00 0.00 173.10 175.14 1usq n GLY 110 N 3.24 0.26 3.56 0.20 0.00 -0.32 -5.00 105.19 107.13 1usq n GLY 110 Ca -0.19 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.02 4.07 -0.25 -0.61 -1.09 -1.26 -1.14 121.20 118.89 1usq s ILE 111 Ca 0.29 -0.31 -0.08 0.00 -2.23 0.00 0.00 60.65 58.33 1usq s ILE 111 Cb -0.01 -2.76 -0.03 0.00 -1.58 0.00 0.00 42.46 38.07 1usq s ILE 111 CO 0.00 0.52 0.09 -0.63 -1.23 0.00 0.00 174.94 173.69 1usq s ILE 112 N 0.03 4.46 0.04 2.92 -1.09 0.83 -1.46 121.20 126.92 1usq s ILE 112 Ca 0.01 -0.12 -0.19 0.00 -2.23 0.00 0.00 60.65 58.11 1usq s ILE 112 Cb -0.13 -3.09 -0.06 0.00 -1.58 0.00 0.00 42.46 37.60 1usq s ILE 112 CO 0.02 0.32 0.56 -0.83 -1.23 0.00 0.00 174.94 173.79 1usq s GLY 113 N 1.64 2.63 -0.22 6.18 0.00 0.57 -0.11 107.32 118.00 1usq s GLY 113 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 44.72 44.73 1usq s GLY 113 CO 0.05 0.54 0.04 -0.42 0.00 0.00 0.00 173.10 173.31 1usq s ILE 114 N -0.75 4.19 0.06 0.90 -1.09 -0.72 -1.57 121.20 122.21 1usq s ILE 114 Ca 0.29 -0.22 0.06 0.00 -2.23 0.00 0.00 60.65 58.54 1usq s ILE 114 Cb -0.19 -2.93 -0.03 0.00 -1.58 0.00 0.00 42.46 37.74 1usq s ILE 114 CO 0.18 0.39 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.80 1usq s TYR 115 N 1.27 1.39 0.20 3.97 2.02 -0.49 -0.54 117.35 125.17 1usq s TYR 115 Ca 0.04 -0.39 -0.32 0.00 -0.37 0.00 0.00 57.07 56.04 1usq s TYR 115 Cb -0.15 -0.81 -0.11 0.00 -0.40 0.00 0.00 41.96 40.49 1usq s TYR 115 CO 0.02 0.07 1.66 0.08 -1.57 0.00 0.00 175.55 175.81 1usq s VAL 116 N -0.98 2.25 -0.56 0.71 1.01 0.13 -0.33 120.40 122.63 1usq s VAL 116 Ca 0.02 0.18 -0.08 0.00 0.00 0.00 0.00 61.98 62.10 1usq s VAL 116 Cb -0.09 -3.11 0.15 0.00 0.00 0.00 0.00 36.38 33.32 1usq s VAL 116 CO 0.02 0.01 0.43 -0.62 0.00 0.00 0.00 175.10 174.94 1usq s ASP 117 N 1.12 5.73 0.00 3.32 2.15 -0.10 -0.51 116.67 128.39 1usq s ASP 117 Ca 0.72 -2.28 0.00 0.00 0.43 0.00 0.00 52.55 51.43 1usq s ASP 117 Cb -0.47 -1.99 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1usq s ASP 117 CO 0.33 -0.59 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 1usq n GLY 118 N 4.39 0.08 3.69 2.66 0.00 -1.26 -4.69 105.19 110.07 1usq n GLY 118 Ca -0.00 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 1usq n GLY 118 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1usq n GLN 119 N 0.71 2.78 -2.65 1.61 7.27 -1.26 -4.32 117.38 121.51 1usq n GLN 119 Ca 0.00 1.01 -0.10 0.00 0.07 0.00 0.00 57.00 57.98 1usq n GLN 119 Cb 0.00 -2.89 0.03 0.00 2.41 0.00 0.00 30.24 29.79 1usq n GLN 119 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1usq n GLN 120 N 5.38 1.57 0.00 3.69 6.02 -0.34 -4.89 117.38 128.81 1usq n GLN 120 Ca 0.18 -3.46 0.10 0.00 -0.01 0.00 0.00 57.00 53.80 1usq n GLN 120 Cb 0.37 -1.45 0.57 0.00 1.02 0.00 0.00 30.24 30.75 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 -0.22 0.00 -0.40 5.09 -2.24 -1.23 -2.02 114.28 113.26 1usq n THR 121 Ca 0.13 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.01 1usq n THR 121 Cb 0.80 -0.65 0.29 0.00 -2.10 0.00 0.00 70.33 68.68 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 -0.97 3.91 -4.71 3.42 3.02 -1.26 -4.32 115.26 114.34 1usq n ASN 122 Ca 0.14 -2.12 -0.42 0.00 -0.03 0.00 0.00 54.58 52.15 1usq n ASN 122 Cb 0.07 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.75 1usq n ASN 122 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1usq n THR 123 N 1.23 0.01 -2.01 3.41 -1.04 -0.86 -4.93 114.28 110.10 1usq n THR 123 Ca 0.22 -0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.82 1usq n THR 123 Cb 0.64 -1.96 -0.01 0.00 -1.82 0.00 0.00 70.33 67.18 1usq n THR 123 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1usq s PRO 124 N 1.21 4.27 0.43 -2.82 0.02 -1.26 -4.82 135.00 132.04 1usq s PRO 124 Ca 0.76 2.33 -0.26 0.00 0.02 0.00 0.00 61.00 63.85 1usq s PRO 124 Cb -0.52 -3.03 -0.09 0.00 0.02 0.00 0.00 34.50 30.88 1usq s PRO 124 CO 0.33 -0.30 1.42 -2.14 -0.33 0.00 0.00 177.00 175.97 1usq s PRO 125 N -1.90 3.79 0.00 5.54 0.02 -1.26 -4.87 135.00 136.31 1usq s PRO 125 Ca 0.50 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.93 1usq s PRO 125 Cb -0.42 -2.72 0.00 0.00 0.02 0.00 0.00 34.50 31.38 1usq s PRO 125 CO 0.56 -0.73 0.00 0.41 -0.33 0.00 0.00 177.00 176.91 1usq n GLY 126 N 0.58 -2.03 3.58 0.52 0.00 -0.43 -4.97 105.19 102.44 1usq n GLY 126 Ca 0.04 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 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 5.70 -0.00 1.61 0.01 -1.26 -0.60 114.94 119.21 1usq s ASN 127 Ca 0.00 -0.00 0.07 0.00 -0.71 0.00 0.00 52.86 52.21 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 0.05 -0.20 -0.31 -1.51 0.00 0.00 177.10 175.13 1usq s TYR 128 N 1.14 2.51 0.01 2.20 2.02 0.76 -1.07 117.35 124.93 1usq s TYR 128 Ca 0.06 -0.29 0.01 0.00 -0.37 0.00 0.00 57.07 56.48 1usq s TYR 128 Cb -0.14 -1.51 -0.01 0.00 -0.40 0.00 0.00 41.96 39.90 1usq s TYR 128 CO 0.04 0.14 -0.05 0.99 -1.57 0.00 0.00 175.55 175.11 1usq s THR 129 N -0.77 0.34 -0.09 -0.71 2.01 -0.24 -0.64 115.64 115.54 1usq s THR 129 Ca 0.12 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 61.67 1usq s THR 129 Cb -0.10 -0.35 0.02 0.00 0.01 0.00 0.00 72.50 72.08 1usq s THR 129 CO 0.02 -0.09 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.54 1usq s LEU 130 N -0.60 1.45 -0.18 4.42 2.96 0.48 -1.39 118.68 125.82 1usq s LEU 130 Ca -0.03 -0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 53.55 1usq s LEU 130 Cb -0.04 -0.85 -0.00 0.00 0.50 0.00 0.00 46.19 45.79 1usq s LEU 130 CO -0.00 -0.04 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.00 1usq s THR 131 N 1.17 3.00 -0.12 3.68 2.01 -1.26 -0.07 115.64 124.05 1usq s THR 131 Ca -0.05 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.34 1usq s THR 131 Cb -0.14 -2.32 0.01 0.00 0.01 0.00 0.00 72.50 70.06 1usq s THR 131 CO -0.02 0.48 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.40 1usq s LEU 132 N 1.07 2.07 -0.13 4.42 1.43 -0.20 -1.74 118.68 125.61 1usq s LEU 132 Ca 0.00 -0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 1usq s LEU 132 Cb -0.15 -1.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 1usq s LEU 132 CO -0.02 0.11 -0.04 -0.89 0.23 0.00 0.00 176.35 175.74 1usq s THR 133 N 0.64 3.93 0.37 5.49 2.01 0.31 -1.08 115.64 127.31 1usq s THR 133 Ca -0.12 -0.36 -0.25 0.00 0.31 0.00 0.00 61.69 61.27 1usq s THR 133 Cb -0.16 -2.69 -0.09 0.00 0.01 0.00 0.00 72.50 69.57 1usq s THR 133 CO 0.02 0.53 1.04 -0.83 -0.69 0.00 0.00 174.62 174.69 1usq s GLY 134 N -0.08 2.79 0.00 4.40 0.00 -0.35 -0.94 107.32 113.14 1usq s GLY 134 Ca 0.02 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.43 1usq s GLY 134 CO 0.02 1.15 0.00 0.61 0.00 0.00 0.00 173.10 174.88 1usq n GLY 135 N 0.50 1.14 3.09 0.20 0.00 -0.39 -1.39 105.19 108.34 1usq n GLY 135 Ca 0.04 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.59 0.41 -0.11 1.61 1.13 -0.63 -0.98 117.35 117.19 1usq s TYR 136 Ca 0.00 -0.89 -0.03 0.00 -1.41 0.00 0.00 57.07 54.74 1usq s TYR 136 Cb 0.00 -0.30 -0.03 0.00 -1.10 0.00 0.00 41.96 40.52 1usq s TYR 136 CO 0.00 -0.37 0.01 -0.46 -2.51 0.00 0.00 175.55 172.22 1usq s TRP 137 N -3.44 3.16 0.00 -3.49 -0.11 0.65 -0.86 118.94 114.85 1usq s TRP 137 Ca 0.02 0.11 0.00 0.00 1.22 0.00 0.00 56.10 57.45 1usq s TRP 137 Cb 0.04 -1.85 0.00 0.00 -1.50 0.00 0.00 33.47 30.16 1usq s TRP 137 CO -0.08 0.36 0.00 0.00 -4.62 0.00 0.00 176.95 172.60