#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 -0.67 0.10 1.61 1.04 -1.00 -4.92 113.70 109.86 1usq s SER 1 Ca 0.00 1.13 -0.30 0.00 0.48 0.00 0.00 55.95 57.26 1usq s SER 1 Cb 0.00 1.10 -0.05 0.00 0.10 0.00 0.00 66.02 67.17 1usq s SER 1 CO 0.00 -0.34 0.98 0.12 0.98 0.00 0.00 173.24 174.97 1usq s PHE 2 N -0.13 3.77 -0.28 5.02 2.19 -1.26 -2.69 117.98 124.59 1usq s PHE 2 Ca -0.04 1.76 -0.02 0.00 0.33 0.00 0.00 56.93 58.97 1usq s PHE 2 Cb -0.03 -3.09 0.04 0.00 -1.31 0.00 0.00 43.02 38.63 1usq s PHE 2 CO 0.04 0.09 -0.03 0.99 1.83 0.00 0.00 175.22 178.14 1usq s THR 3 N 0.17 2.96 0.12 0.12 2.01 0.23 -4.97 115.64 116.28 1usq s THR 3 Ca 0.48 -1.19 -0.31 0.00 0.31 0.00 0.00 61.69 60.98 1usq s THR 3 Cb -0.23 -2.60 -0.10 0.00 0.01 0.00 0.00 72.50 69.57 1usq s THR 3 CO 0.30 0.04 1.71 -2.84 -0.69 0.00 0.00 174.62 173.14 1usq s PRO 4 N 1.29 4.17 -0.42 4.92 0.02 -1.26 -1.77 135.00 141.95 1usq s PRO 4 Ca -0.03 2.46 -0.01 0.00 0.02 0.00 0.00 61.00 63.45 1usq s PRO 4 Cb -0.18 -3.46 0.20 0.00 0.02 0.00 0.00 34.50 31.08 1usq s PRO 4 CO -0.03 -0.75 0.93 0.45 -0.33 0.00 0.00 177.00 177.27 1usq s SER 5 N 2.16 -0.81 0.00 2.53 0.15 -0.55 -4.93 113.70 112.25 1usq s SER 5 Ca 0.76 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 56.48 1usq s SER 5 Cb -0.44 1.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 1usq s SER 5 CO 0.33 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.35 1usq n GLY 6 N 2.84 -1.36 3.99 9.45 0.00 -1.05 -3.60 105.19 115.45 1usq n GLY 6 Ca 0.14 -1.19 -0.20 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 -3.00 2.28 -0.12 2.61 -4.23 -1.26 -4.56 115.64 107.36 1usq s THR 7 Ca 0.00 -1.13 -0.00 0.00 -1.18 0.00 0.00 61.69 59.37 1usq s THR 7 Cb 0.00 -2.42 -0.02 0.00 1.34 0.00 0.00 72.50 71.40 1usq s THR 7 CO 0.00 0.00 -0.11 -0.89 -0.54 0.00 0.00 174.62 173.08 1usq s THR 8 N -2.60 3.30 -0.13 3.99 2.01 -1.26 -1.14 115.64 119.80 1usq s THR 8 Ca 0.54 -0.59 -0.04 0.00 0.31 0.00 0.00 61.69 61.91 1usq s THR 8 Cb -0.06 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 1usq s THR 8 CO 0.33 0.53 -0.00 -0.83 -0.69 0.00 0.00 174.62 173.96 1usq s GLY 9 N 0.10 1.81 -0.21 4.40 0.00 -0.17 -4.97 107.32 108.27 1usq s GLY 9 Ca -0.04 -0.80 -0.00 0.00 0.00 0.00 0.00 44.72 43.88 1usq s GLY 9 CO 0.04 -0.25 -0.13 -1.59 0.00 0.00 0.00 173.10 171.17 1usq s THR 10 N -0.14 2.49 -0.25 0.90 2.01 -1.26 -1.11 115.64 118.27 1usq s THR 10 Ca 0.04 -0.96 -0.15 0.00 0.31 0.00 0.00 61.69 60.93 1usq s THR 10 Cb -0.13 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 1usq s THR 10 CO 0.02 0.37 0.36 -0.89 -0.69 0.00 0.00 174.62 173.79 1usq s THR 11 N 1.31 5.20 0.01 -0.82 2.01 0.92 -4.95 115.64 119.32 1usq s THR 11 Ca 0.02 0.56 0.07 0.00 0.31 0.00 0.00 61.69 62.66 1usq s THR 11 Cb -0.15 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 1usq s THR 11 CO -0.08 0.19 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.29 1usq s LYS 12 N 1.83 1.55 -0.10 4.92 1.02 -1.26 -0.29 119.74 127.41 1usq s LYS 12 Ca 0.15 -0.85 -0.05 0.00 0.02 0.00 0.00 55.97 55.25 1usq s LYS 12 Cb -0.15 -1.58 0.04 0.00 -0.52 0.00 0.00 37.83 35.62 1usq s LYS 12 CO 0.09 0.42 0.23 -1.17 -0.92 0.00 0.00 175.35 174.00 1usq s LEU 13 N -0.83 0.48 -0.25 3.17 2.96 0.22 -4.59 118.68 119.85 1usq s LEU 13 Ca 0.08 0.49 -0.09 0.00 -0.22 0.00 0.00 54.13 54.39 1usq s LEU 13 Cb -0.08 0.69 -0.04 0.00 0.50 0.00 0.00 46.19 47.25 1usq s LEU 13 CO 0.00 -0.16 0.13 -0.89 -1.32 0.00 0.00 176.35 174.12 1usq s THR 14 N 1.20 4.97 -0.12 3.68 2.01 -0.22 -0.14 115.64 127.02 1usq s THR 14 Ca -0.09 0.05 -0.12 0.00 0.31 0.00 0.00 61.69 61.84 1usq s THR 14 Cb -0.10 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 1usq s THR 14 CO -0.08 0.33 0.26 -0.69 -0.69 0.00 0.00 174.62 173.75 1usq s VAL 15 N 1.34 5.31 0.36 3.82 1.01 0.04 -1.08 120.40 131.21 1usq s VAL 15 Ca 0.06 0.49 0.04 0.00 0.00 0.00 0.00 61.98 62.56 1usq s VAL 15 Cb -0.15 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1usq s VAL 15 CO 0.06 0.50 0.12 0.42 0.00 0.00 0.00 175.10 176.20 1usq s THR 16 N -0.27 0.65 0.70 3.92 -4.23 -0.09 -1.71 115.64 114.62 1usq s THR 16 Ca 0.17 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.60 1usq s THR 16 Cb -0.13 -2.49 0.15 0.00 1.34 0.00 0.00 72.50 71.37 1usq s THR 16 CO 0.05 0.00 0.95 -0.62 -0.54 0.00 0.00 174.62 174.47 1usq n GLU 17 N -0.78 -0.58 -0.25 3.99 -0.58 -1.26 -0.89 120.64 120.30 1usq n GLU 17 Ca -0.03 -1.87 -0.05 0.00 -0.42 0.00 0.00 57.16 54.78 1usq n GLU 17 Cb 0.65 -0.86 0.05 0.00 -0.57 0.00 0.00 31.44 30.72 1usq n GLU 17 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1usq h LYS 18 N 0.00 0.91 -6.33 3.49 3.11 -1.98 -3.33 116.57 112.45 1usq h LYS 18 Ca -0.31 -0.06 -0.57 0.00 -2.81 0.00 0.00 60.65 56.90 1usq h LYS 18 Cb 0.96 -0.20 -0.09 0.00 -1.00 0.00 0.00 32.23 31.90 1usq h LYS 18 CO 0.26 0.61 0.86 0.00 -2.81 0.00 0.00 179.45 178.37 1usq s GLN 20 N 4.72 3.30 -0.34 0.00 0.74 -1.25 -5.06 119.66 121.78 1usq s GLN 20 Ca 0.38 -0.70 -0.02 0.00 0.05 0.00 0.00 55.36 55.08 1usq s GLN 20 Cb -0.09 -2.72 0.07 0.00 1.10 0.00 0.00 33.01 31.37 1usq s GLN 20 CO 0.22 0.02 0.07 0.08 -0.55 0.00 0.00 175.29 175.13 1usq s VAL 21 N 0.85 3.02 -0.29 1.34 1.01 -1.26 -5.07 120.40 120.00 1usq s VAL 21 Ca -0.04 -1.68 -0.23 0.00 0.00 0.00 0.00 61.98 60.03 1usq s VAL 21 Cb -0.15 -2.88 -0.00 0.00 0.00 0.00 0.00 36.38 33.34 1usq s VAL 21 CO 0.00 -0.33 0.78 -0.13 0.00 0.00 0.00 175.10 175.42 1usq s ARG 22 N 1.19 4.03 -0.14 2.72 0.52 -1.26 -5.05 118.95 120.95 1usq s ARG 22 Ca 0.00 0.67 -0.01 0.00 -0.52 0.00 0.00 55.73 55.87 1usq s ARG 22 Cb -0.21 -3.70 -0.01 0.00 0.52 0.00 0.00 34.95 31.55 1usq s ARG 22 CO -0.03 -0.61 -0.11 0.08 0.02 0.00 0.00 175.30 174.65 1usq s VAL 23 N 2.88 3.14 0.00 3.52 1.01 -1.26 -5.03 120.40 124.66 1usq s VAL 23 Ca 0.32 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1usq s VAL 23 Cb -0.15 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1usq s VAL 23 CO 0.11 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.33 1usq n GLY 24 N 3.71 -1.23 3.70 4.51 0.00 -1.26 -4.91 105.19 109.70 1usq n GLY 24 Ca -0.18 -1.26 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.33 1.27 -4.73 1.61 10.43 -1.26 -4.91 116.55 118.63 1usq n ASP 25 Ca 0.00 0.65 -0.42 0.00 2.57 0.00 0.00 54.79 57.59 1usq n ASP 25 Cb 0.00 -1.52 -0.02 0.00 1.84 0.00 0.00 41.12 41.42 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 -2.90 4.08 -4.23 0.64 7.94 -1.26 -5.01 117.00 116.26 1usq n LEU 26 Ca 0.14 1.10 -0.14 0.00 -1.11 0.00 0.00 56.01 56.01 1usq n LEU 26 Cb 0.50 -1.57 -0.10 0.00 0.53 0.00 0.00 43.42 42.78 1usq n LEU 26 CO 0.48 0.13 -0.23 0.42 -1.11 0.00 0.00 177.39 177.08 1usq s THR 27 N 0.64 0.11 -0.21 1.96 -4.23 -1.26 -5.12 115.64 107.53 1usq s THR 27 Ca 0.71 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.92 1usq s THR 27 Cb -0.51 -2.53 -0.00 0.00 1.34 0.00 0.00 72.50 70.80 1usq s THR 27 CO 0.40 0.00 1.21 -0.69 -0.54 0.00 0.00 174.62 174.99 1usq s VAL 28 N -4.02 4.37 -0.00 2.29 1.01 -1.26 -5.00 120.40 117.78 1usq s VAL 28 Ca 0.39 1.63 -0.02 0.00 0.00 0.00 0.00 61.98 63.98 1usq s VAL 28 Cb 0.07 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.33 1usq s VAL 28 CO 0.13 -0.22 0.04 0.00 0.00 0.00 0.00 175.10 175.05 1usq s ALA 29 N 3.57 -0.07 -0.01 5.51 0.00 -1.26 -1.05 121.76 128.44 1usq s ALA 29 Ca 0.52 -0.14 -0.08 0.00 0.00 0.00 0.00 51.96 52.25 1usq s ALA 29 Cb -0.19 0.02 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1usq s ALA 29 CO 0.14 -0.09 0.18 0.15 0.00 0.00 0.00 175.76 176.13 1usq s LYS 30 N -0.67 0.47 0.64 0.00 1.02 -0.24 -4.95 119.74 116.02 1usq s LYS 30 Ca -0.07 -0.26 -0.12 0.00 0.02 0.00 0.00 55.97 55.53 1usq s LYS 30 Cb -0.05 0.20 -0.02 0.00 -0.52 0.00 0.00 37.83 37.45 1usq s LYS 30 CO -0.00 -0.11 1.05 0.95 -0.92 0.00 0.00 175.35 176.31 1usq s THR 31 N -1.14 4.17 0.34 2.17 -4.23 -1.26 -0.91 115.64 114.77 1usq s THR 31 Ca -0.12 0.79 0.36 0.00 -1.18 0.00 0.00 61.69 61.54 1usq s THR 31 Cb -0.06 -3.52 0.39 0.00 1.34 0.00 0.00 72.50 70.65 1usq s THR 31 CO 0.02 -0.83 2.13 0.08 -0.54 0.00 0.00 174.62 175.47 1usq h ARG 32 N -0.26 0.00 0.00 3.99 0.11 -1.31 -1.42 114.38 115.49 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 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 1usq h ARG 32 CO 0.58 0.03 0.00 0.78 0.10 0.00 0.00 179.97 181.46 1usq h GLY 33 N 1.18 0.00 -0.33 0.08 0.00 -1.85 -2.46 103.07 99.68 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 0.00 0.00 -0.19 -1.06 0.00 0.00 0.00 176.54 175.29 1usq n GLN 34 N -2.48 1.26 -1.57 4.80 6.02 -0.54 -4.47 117.38 120.40 1usq n GLN 34 Ca 0.02 -0.83 -0.38 0.00 -0.01 0.00 0.00 57.00 55.80 1usq n GLN 34 Cb 0.26 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 30.01 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 -0.15 8.31 -4.93 1.08 4.77 -0.93 -4.87 117.00 120.28 1usq n LEU 35 Ca 0.14 -4.52 -0.25 0.00 -0.03 0.00 0.00 56.01 51.35 1usq n LEU 35 Cb 0.39 -1.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.00 1usq n LEU 35 CO 0.23 2.05 0.23 0.42 -1.33 0.00 0.00 177.39 178.99 1usq s THR 36 N 0.72 5.05 0.22 -5.08 -4.23 -1.26 -1.81 115.64 109.26 1usq s THR 36 Ca 0.63 -0.24 -0.32 0.00 -1.18 0.00 0.00 61.69 60.59 1usq s THR 36 Cb 0.19 -3.84 -0.14 0.00 1.34 0.00 0.00 72.50 70.05 1usq s THR 36 CO -0.08 -0.58 1.33 -0.67 -0.54 0.00 0.00 174.62 174.09 1usq n ASP 37 N -1.73 2.33 0.00 3.99 2.03 -1.26 -1.52 116.55 120.39 1usq n ASP 37 Ca -0.03 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.42 1usq n ASP 37 Cb 0.56 -1.37 0.00 0.00 -0.72 0.00 0.00 41.12 39.59 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 1.77 0.00 -1.91 -1.67 0.00 0.13 -4.94 120.51 113.89 1usq n ALA 38 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 1usq n ALA 38 Cb 0.29 -0.31 -0.03 0.00 0.00 0.00 0.00 19.45 19.40 1usq n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1usq s ALA 39 N -2.80 3.72 0.09 0.00 0.00 -0.58 -4.59 121.76 117.60 1usq s ALA 39 Ca 0.00 1.28 -0.31 0.00 0.00 0.00 0.00 51.96 52.93 1usq s ALA 39 Cb 0.00 -3.68 -0.07 0.00 0.00 0.00 0.00 23.12 19.37 1usq s ALA 39 CO 0.00 -1.01 1.34 -1.25 0.00 0.00 0.00 175.76 174.85 1usq s PRO 40 N 2.16 4.34 -0.20 0.00 0.04 -1.26 -0.64 135.00 139.44 1usq s PRO 40 Ca 0.73 1.99 -0.02 0.00 0.04 0.00 0.00 61.00 63.74 1usq s PRO 40 Cb -0.41 -3.31 -0.21 0.00 0.04 0.00 0.00 34.50 30.61 1usq s PRO 40 CO 0.32 -0.41 0.03 -0.89 0.04 0.00 0.00 177.00 176.09 1usq n ILE 41 N 4.02 1.62 0.00 0.56 5.41 0.47 -4.92 119.36 126.52 1usq n ILE 41 Ca 0.11 -0.61 0.00 0.00 1.00 0.00 0.00 62.75 63.25 1usq n ILE 41 Cb 0.43 -1.56 0.00 0.00 -0.71 0.00 0.00 39.64 37.81 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 2.15 2.15 3.86 7.39 0.00 -1.15 -5.02 105.19 114.56 1usq n GLY 42 Ca -0.40 -0.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 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 3.92 -0.18 1.61 0.04 -1.26 -1.65 135.00 135.47 1usq s PRO 43 Ca 0.00 0.57 0.01 0.00 0.04 0.00 0.00 61.00 61.62 1usq s PRO 43 Cb 0.00 -2.44 0.04 0.00 0.04 0.00 0.00 34.50 32.14 1usq s PRO 43 CO 0.00 0.12 -0.10 0.08 0.04 0.00 0.00 177.00 177.14 1usq s VAL 44 N -2.08 1.55 0.36 -0.36 1.01 0.30 -4.96 120.40 116.22 1usq s VAL 44 Ca 0.53 -0.89 -0.25 0.00 0.00 0.00 0.00 61.98 61.37 1usq s VAL 44 Cb -0.10 -1.61 -0.10 0.00 0.00 0.00 0.00 36.38 34.57 1usq s VAL 44 CO 0.22 0.21 0.99 0.42 0.00 0.00 0.00 175.10 176.94 1usq s THR 45 N 1.45 4.00 -0.04 3.92 -4.23 -1.26 -0.49 115.64 118.99 1usq s THR 45 Ca 0.00 1.58 0.00 0.00 -1.18 0.00 0.00 61.69 62.09 1usq s THR 45 Cb -0.15 -3.84 0.03 0.00 1.34 0.00 0.00 72.50 69.87 1usq s THR 45 CO -0.09 0.05 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.35 1usq s VAL 46 N -1.67 0.31 -0.25 2.29 1.01 -0.17 -4.93 120.40 116.99 1usq s VAL 46 Ca 0.54 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.53 1usq s VAL 46 Cb -0.20 -0.39 0.08 0.00 0.00 0.00 0.00 36.38 35.87 1usq s VAL 46 CO 0.25 0.19 0.09 -1.10 0.00 0.00 0.00 175.10 174.53 1usq s GLN 47 N 1.16 0.38 0.17 2.72 -1.52 -1.26 -0.82 119.66 120.49 1usq s GLN 47 Ca -0.08 -0.54 -0.10 0.00 -1.95 0.00 0.00 55.36 52.70 1usq s GLN 47 Cb -0.14 -1.68 -0.07 0.00 -0.22 0.00 0.00 33.01 30.91 1usq s GLN 47 CO -0.02 -0.86 0.49 0.00 -0.25 0.00 0.00 175.29 174.65 1usq s ALA 48 N 1.95 3.64 -0.04 6.09 0.00 -0.43 -5.01 121.76 127.95 1usq s ALA 48 Ca 0.06 -0.32 -0.04 0.00 0.00 0.00 0.00 51.96 51.66 1usq s ALA 48 Cb -0.16 -2.36 0.01 0.00 0.00 0.00 0.00 23.12 20.60 1usq s ALA 48 CO -0.23 0.54 0.11 -0.51 0.00 0.00 0.00 175.76 175.68 1usq s LEU 49 N -2.49 1.47 -0.61 0.00 1.02 -1.26 -4.60 118.68 112.22 1usq s LEU 49 Ca 0.42 0.23 0.00 0.00 0.02 0.00 0.00 54.13 54.80 1usq s LEU 49 Cb -0.12 0.37 0.00 0.00 0.02 0.00 0.00 46.19 46.46 1usq s LEU 49 CO 0.21 -0.05 0.00 0.61 0.02 0.00 0.00 176.35 177.14 1usq n GLY 50 N 3.17 0.78 1.30 -3.19 0.00 -1.26 -4.95 105.19 101.04 1usq n GLY 50 Ca -0.14 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 45.02 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 1.06 0.00 -0.11 0.00 3.04 -1.93 -1.88 116.42 116.60 1usq h ASP 52 Ca 0.27 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 54.04 1usq h ASP 52 Cb 1.73 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 40.01 1usq h ASP 52 CO 0.48 0.00 -0.05 0.00 -2.04 0.00 0.00 179.24 177.63 1usq n ALA 53 N -2.46 2.77 -2.39 4.15 0.00 -1.26 -3.45 120.51 117.87 1usq n ALA 53 Ca -0.00 -2.64 -0.11 0.00 0.00 0.00 0.00 53.44 50.69 1usq n ALA 53 Cb 0.22 -0.51 -0.10 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.93 0.72 -0.39 0.00 1.81 -0.96 -4.94 118.95 112.27 1usq s ARG 54 Ca 0.37 -1.14 -0.19 0.00 -1.72 0.00 0.00 55.73 53.04 1usq s ARG 54 Cb 0.32 -0.21 0.01 0.00 -0.45 0.00 0.00 34.95 34.62 1usq s ARG 54 CO 0.04 -0.00 0.57 -0.65 -0.68 0.00 0.00 175.30 174.58 1usq s GLN 55 N -3.12 3.47 0.43 3.54 -0.21 -1.26 -1.65 119.66 120.86 1usq s GLN 55 Ca 0.05 -0.24 -0.25 0.00 0.02 0.00 0.00 55.36 54.93 1usq s GLN 55 Cb 0.01 -3.87 -0.10 0.00 1.00 0.00 0.00 33.01 30.05 1usq s GLN 55 CO -0.03 -0.80 1.27 0.28 -2.12 0.00 0.00 175.29 173.88 1usq n VAL 56 N 5.60 2.61 -3.79 1.09 0.31 -1.26 -0.80 118.33 122.08 1usq n VAL 56 Ca -0.03 -0.50 -0.12 0.00 -0.01 0.00 0.00 64.34 63.68 1usq n VAL 56 Cb 0.48 -1.57 -0.08 0.00 -0.91 0.00 0.00 33.84 31.77 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 -0.57 -0.07 3.52 0.00 -0.03 -0.80 121.76 122.60 1usq s ALA 57 Ca 0.61 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.58 1usq s ALA 57 Cb -0.50 0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1usq s ALA 57 CO 0.58 -0.35 -0.17 -0.51 0.00 0.00 0.00 175.76 175.31 1usq s LEU 58 N -1.85 1.86 -0.12 0.00 2.01 -0.29 -0.96 118.68 119.33 1usq s LEU 58 Ca -0.08 -0.39 -0.01 0.00 0.01 0.00 0.00 54.13 53.66 1usq s LEU 58 Cb -0.02 -1.05 -0.02 0.00 0.01 0.00 0.00 46.19 45.11 1usq s LEU 58 CO -0.01 0.11 -0.11 -0.75 1.01 0.00 0.00 176.35 176.60 1usq s LYS 59 N 0.38 3.33 0.35 1.70 2.20 -0.23 -0.40 119.74 127.07 1usq s LYS 59 Ca -0.13 -0.64 -0.20 0.00 -0.36 0.00 0.00 55.97 54.64 1usq s LYS 59 Cb -0.15 -2.67 -0.10 0.00 -1.51 0.00 0.00 37.83 33.40 1usq s LYS 59 CO 0.05 0.29 0.86 0.00 -0.36 0.00 0.00 175.35 176.19 1usq s ALA 60 N 0.18 3.20 0.63 3.13 0.00 -0.37 -0.43 121.76 128.10 1usq s ALA 60 Ca -0.06 0.31 -0.18 0.00 0.00 0.00 0.00 51.96 52.02 1usq s ALA 60 Cb -0.15 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 1usq s ALA 60 CO 0.04 0.22 1.12 -0.25 0.00 0.00 0.00 175.76 176.90 1usq n ASP 61 N -0.09 1.38 -0.34 0.00 9.92 -0.71 -4.86 116.55 121.85 1usq n ASP 61 Ca 0.04 0.81 0.22 0.00 -0.53 0.00 0.00 54.79 55.32 1usq n ASP 61 Cb 0.52 -1.47 0.48 0.00 -0.64 0.00 0.00 41.12 40.01 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 0.46 0.50 0.00 -3.53 2.02 -1.93 0.37 112.91 110.80 1usq h THR 62 Ca -0.50 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1usq h THR 62 Cb 1.35 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1usq h THR 62 CO 0.52 0.08 0.00 0.47 0.37 0.00 0.00 175.52 176.95 1usq n ASP 63 N -4.71 0.00 -0.49 4.18 8.00 -1.26 -3.56 116.55 118.71 1usq n ASP 63 Ca 0.26 -0.85 0.05 0.00 0.71 0.00 0.00 54.79 54.97 1usq n ASP 63 Cb 0.87 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 42.05 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 -0.97 2.30 -3.77 -2.24 3.02 0.12 -4.72 115.26 109.01 1usq n ASN 64 Ca 0.18 -1.69 -0.11 0.00 -0.03 0.00 0.00 54.58 52.93 1usq n ASN 64 Cb 0.08 -0.10 -0.07 0.00 -0.61 0.00 0.00 39.78 39.08 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 -0.92 -0.06 -0.29 3.10 -0.12 -1.23 -0.77 117.98 117.69 1usq s PHE 65 Ca 0.16 -0.11 -0.21 0.00 -0.05 0.00 0.00 56.93 56.73 1usq s PHE 65 Cb 0.10 0.07 0.16 0.00 -0.63 0.00 0.00 43.02 42.72 1usq s PHE 65 CO 0.13 -0.50 1.17 -2.00 -0.05 0.00 0.00 175.22 173.98 1usq s GLU 66 N -2.64 0.26 -1.16 1.99 2.12 -0.18 -4.98 118.70 114.10 1usq s GLU 66 Ca -0.04 0.37 -0.05 0.00 0.36 0.00 0.00 54.97 55.60 1usq s GLU 66 Cb -0.01 0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.45 1usq s GLU 66 CO -0.04 -0.04 0.88 0.94 -0.54 0.00 0.00 175.26 176.45 1usq n GLN 67 N 2.66 -3.79 -1.18 4.30 0.00 -1.26 -1.40 117.38 116.71 1usq n GLN 67 Ca -0.15 0.75 -0.10 0.00 -0.00 0.00 0.00 57.00 57.51 1usq n GLN 67 Cb 0.57 -5.46 -0.04 0.00 0.00 0.00 0.00 30.24 25.31 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 -1.34 0.91 3.41 1.69 0.00 -1.26 -4.92 105.19 103.68 1usq n GLY 68 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.62 2.15 0.10 1.61 1.02 -0.49 -5.02 119.74 116.49 1usq s LYS 69 Ca 0.00 -0.92 0.05 0.00 0.02 0.00 0.00 55.97 55.12 1usq s LYS 69 Cb 0.00 -2.17 -0.04 0.00 -0.52 0.00 0.00 37.83 35.10 1usq s LYS 69 CO 0.00 0.56 0.03 -0.06 -0.92 0.00 0.00 175.35 174.97 1usq s PHE 70 N -0.78 3.05 -0.12 3.18 0.40 -1.26 -1.01 117.98 121.43 1usq s PHE 70 Ca 0.12 -0.01 -0.29 0.00 -0.60 0.00 0.00 56.93 56.16 1usq s PHE 70 Cb -0.10 -1.54 0.07 0.00 0.51 0.00 0.00 43.02 41.95 1usq s PHE 70 CO 0.02 0.50 0.70 -0.59 0.70 0.00 0.00 175.22 176.55 1usq s PHE 71 N -1.41 -0.70 0.61 0.36 -0.12 0.05 -1.76 117.98 115.01 1usq s PHE 71 Ca 0.27 1.37 -0.16 0.00 -0.05 0.00 0.00 56.93 58.37 1usq s PHE 71 Cb -0.11 0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 42.61 1usq s PHE 71 CO 0.20 -0.53 1.07 -0.51 -0.05 0.00 0.00 175.22 175.39 1usq s LEU 72 N -0.69 3.47 0.01 -1.99 1.02 0.63 -4.53 118.68 116.60 1usq s LEU 72 Ca -0.07 1.85 0.05 0.00 0.02 0.00 0.00 54.13 55.98 1usq s LEU 72 Cb -0.02 -4.54 -0.02 0.00 0.02 0.00 0.00 46.19 41.64 1usq s LEU 72 CO 0.07 -1.26 -0.17 -0.51 0.02 0.00 0.00 176.35 174.51 1usq s ILE 73 N -2.44 1.31 0.90 -0.59 1.10 -0.46 -1.44 121.20 119.58 1usq s ILE 73 Ca 0.64 -0.83 -0.11 0.00 -0.51 0.00 0.00 60.65 59.84 1usq s ILE 73 Cb -0.17 -1.12 0.13 0.00 0.15 0.00 0.00 42.46 41.46 1usq s ILE 73 CO 0.38 0.27 1.10 -0.94 -2.11 0.00 0.00 174.94 173.64 1usq s SER 74 N -0.65 3.35 0.44 4.50 1.04 -0.30 -1.19 113.70 120.89 1usq s SER 74 Ca 0.06 1.73 0.13 0.00 0.48 0.00 0.00 55.95 58.35 1usq s SER 74 Cb -0.07 -2.36 1.04 0.00 0.10 0.00 0.00 66.02 64.73 1usq s SER 74 CO 0.00 -2.75 2.01 0.44 0.98 0.00 0.00 173.24 173.92 1usq h ASP 75 N -1.63 0.33 -0.05 7.02 3.32 -1.57 -0.92 116.42 122.93 1usq h ASP 75 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 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 0.50 0.21 0.00 -0.46 -1.72 0.00 0.00 179.24 177.78 1usq n ASN 76 N -4.47 0.92 0.00 6.45 2.04 -1.26 -4.91 115.26 114.03 1usq n ASN 76 Ca 0.07 -1.43 0.00 0.00 -0.44 0.00 0.00 54.58 52.78 1usq n ASN 76 Cb 0.30 -0.03 0.00 0.00 -2.53 0.00 0.00 39.78 37.52 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 -0.23 -3.44 -0.07 0.53 4.05 -0.35 -4.90 115.26 110.85 1usq n ASN 77 Ca 0.18 0.00 -0.21 0.00 0.45 0.00 0.00 54.58 55.00 1usq n ASN 77 Cb 0.24 -1.42 -0.13 0.00 1.23 0.00 0.00 39.78 39.70 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 -1.70 0.68 -4.10 1.20 0.63 -1.26 -4.87 116.66 107.24 1usq n ARG 78 Ca 0.00 0.28 -0.35 0.00 -0.92 0.00 0.00 57.85 56.85 1usq n ARG 78 Cb 0.14 -1.63 -0.09 0.00 0.45 0.00 0.00 32.46 31.33 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 -6.91 5.70 -0.08 6.15 1.01 -1.26 -4.96 116.67 116.32 1usq s ASP 79 Ca -0.29 0.21 -0.01 0.00 0.71 0.00 0.00 52.55 53.17 1usq s ASP 79 Cb 0.08 -1.83 -0.03 0.00 1.01 0.00 0.00 42.92 42.15 1usq s ASP 79 CO 0.66 0.31 -0.03 -0.54 0.21 0.00 0.00 175.17 175.78 1usq s LYS 80 N -0.44 2.89 -0.31 8.23 1.02 -1.26 -1.15 119.74 128.73 1usq s LYS 80 Ca 0.10 -0.47 0.02 0.00 0.02 0.00 0.00 55.97 55.64 1usq s LYS 80 Cb -0.12 -2.71 0.09 0.00 -0.52 0.00 0.00 37.83 34.57 1usq s LYS 80 CO 0.02 0.68 0.03 -1.17 -0.92 0.00 0.00 175.35 173.98 1usq s LEU 81 N -0.82 3.81 0.27 3.17 2.96 -0.52 -4.97 118.68 122.59 1usq s LEU 81 Ca 0.12 -1.83 -0.29 0.00 -0.22 0.00 0.00 54.13 51.91 1usq s LEU 81 Cb -0.11 -1.41 -0.10 0.00 0.50 0.00 0.00 46.19 45.07 1usq s LEU 81 CO 0.02 -0.34 1.25 -0.31 -1.32 0.00 0.00 176.35 175.65 1usq s TYR 82 N 1.13 3.26 0.15 5.38 1.51 -1.26 -0.27 117.35 127.26 1usq s TYR 82 Ca 0.06 1.43 0.02 0.00 -1.01 0.00 0.00 57.07 57.58 1usq s TYR 82 Cb -0.19 -3.55 -0.05 0.00 -0.11 0.00 0.00 41.96 38.07 1usq s TYR 82 CO -0.11 -1.50 -0.04 0.14 -1.11 0.00 0.00 175.55 172.93 1usq s VAL 83 N -0.74 0.81 -0.08 0.71 -7.23 -0.72 -1.31 120.40 111.82 1usq s VAL 83 Ca 0.50 -1.99 -0.00 0.00 -1.81 0.00 0.00 61.98 58.68 1usq s VAL 83 Cb -0.37 -1.97 -0.03 0.00 0.56 0.00 0.00 36.38 34.57 1usq s VAL 83 CO 0.45 -0.62 -0.05 0.20 -0.31 0.00 0.00 175.10 174.78 1usq s ASN 84 N -3.15 4.81 -0.21 4.85 0.01 0.99 -4.41 114.94 117.83 1usq s ASN 84 Ca 0.20 0.01 -0.03 0.00 -0.71 0.00 0.00 52.86 52.32 1usq s ASN 84 Cb 0.05 -1.32 -0.01 0.00 0.41 0.00 0.00 41.25 40.38 1usq s ASN 84 CO 0.01 0.34 -0.06 -0.63 -1.51 0.00 0.00 177.10 175.25 1usq s ILE 85 N -0.68 3.26 -0.12 0.60 1.01 -1.26 -1.59 121.20 122.42 1usq s ILE 85 Ca 0.10 -0.54 -0.06 0.00 0.00 0.00 0.00 60.65 60.15 1usq s ILE 85 Cb -0.11 -2.47 0.05 0.00 0.01 0.00 0.00 42.46 39.94 1usq s ILE 85 CO 0.02 0.44 0.29 -0.60 0.00 0.00 0.00 174.94 175.10 1usq s ARG 86 N 1.31 0.26 0.41 2.79 3.52 -0.72 -4.98 118.95 121.55 1usq s ARG 86 Ca 0.04 0.61 -0.25 0.00 -0.13 0.00 0.00 55.73 55.99 1usq s ARG 86 Cb -0.14 -0.09 -0.08 0.00 -1.56 0.00 0.00 34.95 33.07 1usq s ARG 86 CO -0.03 -0.16 1.23 -1.25 -0.81 0.00 0.00 175.30 174.28 1usq s PRO 87 N 1.31 3.96 0.50 5.12 0.04 -1.26 -0.02 135.00 144.64 1usq s PRO 87 Ca -0.09 1.99 0.29 0.00 0.04 0.00 0.00 61.00 63.22 1usq s PRO 87 Cb -0.10 -2.68 1.12 0.00 0.04 0.00 0.00 34.50 32.88 1usq s PRO 87 CO -0.10 -0.45 1.90 1.79 0.04 0.00 0.00 177.00 180.18 1usq h THR 88 N 2.32 0.26 -2.73 1.26 1.35 -1.49 -3.45 112.91 110.42 1usq h THR 88 Ca -0.49 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 1usq h THR 88 Cb 1.24 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 1usq h THR 88 CO 0.62 0.10 0.00 -0.90 -0.25 0.00 0.00 175.52 175.09 1usq n ASP 89 N -3.23 0.00 -1.54 5.36 3.85 -1.26 -4.98 116.55 114.75 1usq n ASP 89 Ca 0.01 -0.90 0.04 0.00 -0.71 0.00 0.00 54.79 53.22 1usq n ASP 89 Cb 0.37 0.00 0.29 0.00 -1.35 0.00 0.00 41.12 40.43 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 -2.70 4.40 -4.80 -1.12 3.02 -1.26 -4.98 115.26 107.82 1usq n ASN 90 Ca 0.00 -2.70 -0.34 0.00 -0.03 0.00 0.00 54.58 51.50 1usq n ASN 90 Cb 0.00 -0.64 -0.04 0.00 -0.61 0.00 0.00 39.78 38.48 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 -0.57 6.53 -0.20 6.41 1.04 -1.26 -5.03 113.70 120.62 1usq s SER 91 Ca 0.40 1.90 -0.13 0.00 0.48 0.00 0.00 55.95 58.60 1usq s SER 91 Cb 0.30 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.82 1usq s SER 91 CO 0.11 -0.65 0.26 0.00 0.98 0.00 0.00 173.24 173.94 1usq s ALA 92 N -1.97 3.60 0.27 5.32 0.00 -1.26 -4.88 121.76 122.85 1usq s ALA 92 Ca 0.65 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 52.02 1usq s ALA 92 Cb -0.16 -2.39 -0.06 0.00 0.00 0.00 0.00 23.12 20.51 1usq s ALA 92 CO 0.20 -0.06 0.03 -1.58 0.00 0.00 0.00 175.76 174.34 1usq s TRP 93 N 0.80 1.74 0.02 0.00 0.52 -1.26 -0.76 118.94 120.00 1usq s TRP 93 Ca 0.13 -0.95 0.02 0.00 0.02 0.00 0.00 56.10 55.32 1usq s TRP 93 Cb -0.13 -1.06 -0.01 0.00 -1.15 0.00 0.00 33.47 31.11 1usq s TRP 93 CO 0.04 -0.04 -0.08 0.99 0.02 0.00 0.00 176.95 177.88 1usq s THR 94 N -3.39 0.58 -0.17 2.01 2.01 0.10 -4.85 115.64 111.93 1usq s THR 94 Ca 0.33 -0.66 -0.06 0.00 0.31 0.00 0.00 61.69 61.61 1usq s THR 94 Cb 0.07 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 1usq s THR 94 CO 0.12 -0.08 0.03 -0.89 -0.69 0.00 0.00 174.62 173.11 1usq s THR 95 N -0.70 4.45 -0.30 -0.82 2.01 -1.26 -0.85 115.64 118.17 1usq s THR 95 Ca -0.02 -0.15 -0.02 0.00 0.31 0.00 0.00 61.69 61.80 1usq s THR 95 Cb -0.06 -2.99 0.12 0.00 0.01 0.00 0.00 72.50 69.58 1usq s THR 95 CO 0.00 0.47 0.21 -0.62 -0.69 0.00 0.00 174.62 173.99 1usq s ASP 96 N 0.40 2.72 -1.10 3.53 3.68 0.56 -4.97 116.67 121.48 1usq s ASP 96 Ca 0.01 -1.22 -0.19 0.00 2.13 0.00 0.00 52.55 53.28 1usq s ASP 96 Cb -0.13 -0.01 -0.01 0.00 -1.45 0.00 0.00 42.92 41.32 1usq s ASP 96 CO 0.01 -0.40 0.77 -3.20 0.13 0.00 0.00 175.17 172.49 1usq n ASN 97 N 5.09 -5.40 0.00 -0.34 5.15 -1.26 -1.78 115.26 116.72 1usq n ASN 97 Ca -0.02 -0.98 0.00 0.00 -0.60 0.00 0.00 54.58 52.99 1usq n ASN 97 Cb 0.43 -3.29 0.00 0.00 -0.53 0.00 0.00 39.78 36.39 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 -1.70 1.23 3.46 8.20 0.00 -1.26 -5.01 105.19 110.10 1usq n GLY 98 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.31 3.44 -0.34 1.61 1.01 -0.73 -1.24 120.40 120.83 1usq s VAL 99 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1usq s VAL 99 Cb 0.00 -2.45 0.09 0.00 0.00 0.00 0.00 36.38 34.02 1usq s VAL 99 CO 0.00 0.53 0.06 0.12 0.00 0.00 0.00 175.10 175.82 1usq s PHE 100 N 0.04 3.59 0.14 5.22 5.36 0.47 -0.32 117.98 132.47 1usq s PHE 100 Ca -0.02 -2.62 0.11 0.00 -0.96 0.00 0.00 56.93 53.44 1usq s PHE 100 Cb -0.14 -2.76 -0.04 0.00 -0.34 0.00 0.00 43.02 39.74 1usq s PHE 100 CO 0.04 -0.93 -0.26 1.52 -1.46 0.00 0.00 175.22 174.13 1usq s TYR 101 N 1.04 2.25 0.19 10.12 1.13 -0.03 -1.14 117.35 130.92 1usq s TYR 101 Ca 0.05 -0.38 -0.30 0.00 -1.41 0.00 0.00 57.07 55.04 1usq s TYR 101 Cb -0.20 -1.19 -0.08 0.00 -1.10 0.00 0.00 41.96 39.39 1usq s TYR 101 CO -0.06 0.37 1.03 0.21 -2.51 0.00 0.00 175.55 174.59 1usq s LYS 102 N -2.22 4.69 0.49 -3.49 2.20 0.02 0.00 119.74 121.43 1usq s LYS 102 Ca 0.15 1.61 0.26 0.00 -0.36 0.00 0.00 55.97 57.63 1usq s LYS 102 Cb -0.09 -3.29 1.26 0.00 -1.51 0.00 0.00 37.83 34.20 1usq s LYS 102 CO 0.07 0.24 1.98 -0.91 -0.36 0.00 0.00 175.35 176.37 1usq h ASN 103 N 4.78 0.00 -2.60 1.43 -0.26 -1.27 -3.43 115.58 114.23 1usq h ASN 103 Ca -0.45 0.00 -0.58 0.00 -0.56 0.00 0.00 56.30 54.72 1usq h ASN 103 Cb 1.21 0.00 -0.10 0.00 -1.06 0.00 0.00 38.32 38.37 1usq h ASN 103 CO 0.70 0.17 -0.63 -0.62 -1.06 0.00 0.00 177.43 175.99 1usq s ASP 104 N -6.19 4.85 0.79 5.81 3.68 -1.26 -5.06 116.67 119.28 1usq s ASP 104 Ca -0.02 -0.43 -0.12 0.00 2.13 0.00 0.00 52.55 54.12 1usq s ASP 104 Cb 0.12 -1.05 0.06 0.00 -1.45 0.00 0.00 42.92 40.61 1usq s ASP 104 CO 0.61 0.05 1.12 0.68 0.13 0.00 0.00 175.17 177.76 1usq s VAL 105 N -1.94 2.79 0.00 1.11 -7.23 -1.26 -4.41 120.40 109.46 1usq s VAL 105 Ca 0.29 0.26 0.00 0.00 -1.81 0.00 0.00 61.98 60.72 1usq s VAL 105 Cb -0.08 -3.14 0.00 0.00 0.56 0.00 0.00 36.38 33.71 1usq s VAL 105 CO 0.20 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.27 1usq n GLY 106 N -2.70 4.51 3.12 2.32 0.00 -0.66 -4.92 105.19 106.86 1usq n GLY 106 Ca 0.07 -1.32 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 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 4.88 -4.77 1.61 7.64 -1.20 -4.42 113.62 117.37 1usq n SER 107 Ca 0.00 -3.00 -0.38 0.00 1.01 0.00 0.00 58.87 56.50 1usq n SER 107 Cb 0.00 -1.58 -0.02 0.00 -1.01 0.00 0.00 64.21 61.60 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 1.80 3.08 -0.02 1.43 -0.00 -1.26 -4.68 118.94 119.29 1usq s TRP 108 Ca 0.44 1.55 0.05 0.00 -0.00 0.00 0.00 56.10 58.14 1usq s TRP 108 Cb 0.06 -3.41 -0.01 0.00 -0.00 0.00 0.00 33.47 30.12 1usq s TRP 108 CO -0.00 -1.33 -0.16 0.20 -0.00 0.00 0.00 176.95 175.66 1usq s GLY 109 N -1.09 0.83 0.00 5.86 0.00 -1.26 -1.31 107.32 110.34 1usq s GLY 109 Ca 0.56 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.60 1usq s GLY 109 CO 0.39 -0.49 0.00 0.61 0.00 0.00 0.00 173.10 173.61 1usq n GLY 110 N 2.84 -1.25 3.37 0.20 0.00 -0.00 -5.00 105.19 105.35 1usq n GLY 110 Ca -0.16 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.26 2.99 -0.32 -0.61 -1.09 -1.26 -1.00 121.20 117.65 1usq s ILE 111 Ca 0.00 -0.69 -0.09 0.00 -2.23 0.00 0.00 60.65 57.64 1usq s ILE 111 Cb 0.00 -2.25 0.01 0.00 -1.58 0.00 0.00 42.46 38.64 1usq s ILE 111 CO 0.00 0.53 0.14 -0.63 -1.23 0.00 0.00 174.94 173.75 1usq s ILE 112 N 0.27 4.39 0.18 2.92 -1.09 0.36 -1.11 121.20 127.11 1usq s ILE 112 Ca -0.10 -0.63 -0.26 0.00 -2.23 0.00 0.00 60.65 57.43 1usq s ILE 112 Cb -0.16 -3.30 -0.08 0.00 -1.58 0.00 0.00 42.46 37.34 1usq s ILE 112 CO 0.06 -0.01 0.79 -0.83 -1.23 0.00 0.00 174.94 173.72 1usq s GLY 113 N 1.56 2.94 -0.22 6.18 0.00 0.96 -0.54 107.32 118.20 1usq s GLY 113 Ca 0.03 0.39 -0.05 0.00 0.00 0.00 0.00 44.72 45.09 1usq s GLY 113 CO 0.05 0.90 0.00 -0.42 0.00 0.00 0.00 173.10 173.64 1usq s ILE 114 N -1.16 3.83 0.09 0.90 -1.09 -0.66 -1.75 121.20 121.36 1usq s ILE 114 Ca 0.36 -0.34 0.06 0.00 -2.23 0.00 0.00 60.65 58.51 1usq s ILE 114 Cb -0.23 -2.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.86 1usq s ILE 114 CO 0.27 0.40 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.90 1usq s TYR 115 N 1.37 1.47 0.09 3.97 2.02 -0.62 -0.39 117.35 125.26 1usq s TYR 115 Ca 0.05 -0.44 -0.31 0.00 -0.37 0.00 0.00 57.07 56.00 1usq s TYR 115 Cb -0.15 -0.82 -0.08 0.00 -0.40 0.00 0.00 41.96 40.52 1usq s TYR 115 CO 0.00 0.12 1.57 0.08 -1.57 0.00 0.00 175.55 175.75 1usq s VAL 116 N -1.23 3.06 -0.71 0.71 1.01 0.18 -0.01 120.40 123.42 1usq s VAL 116 Ca 0.02 0.62 -0.12 0.00 0.00 0.00 0.00 61.98 62.49 1usq s VAL 116 Cb -0.10 -3.40 0.19 0.00 0.00 0.00 0.00 36.38 33.07 1usq s VAL 116 CO 0.03 0.02 0.63 -0.62 0.00 0.00 0.00 175.10 175.16 1usq s ASP 117 N 1.87 6.34 0.00 3.32 2.15 -0.43 0.17 116.67 130.09 1usq s ASP 117 Ca 0.70 -2.48 0.00 0.00 0.43 0.00 0.00 52.55 51.20 1usq s ASP 117 Cb -0.39 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1usq s ASP 117 CO 0.31 -0.61 0.00 0.61 -0.17 0.00 0.00 175.17 175.31 1usq n GLY 118 N 4.22 0.85 3.67 2.66 0.00 -1.26 -4.71 105.19 110.63 1usq n GLY 118 Ca 0.06 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 1usq n GLY 118 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1usq s GLN 119 N -3.26 4.17 -0.28 1.61 -1.52 -1.26 -4.06 119.66 115.06 1usq s GLN 119 Ca 0.00 2.40 0.20 0.00 -1.95 0.00 0.00 55.36 56.01 1usq s GLN 119 Cb 0.00 -3.90 0.49 0.00 -0.22 0.00 0.00 33.01 29.38 1usq s GLN 119 CO 0.00 -0.85 1.10 1.04 -0.25 0.00 0.00 175.29 176.33 1usq n GLN 120 N 6.70 1.93 0.00 2.91 6.02 -0.75 -4.88 117.38 129.31 1usq n GLN 120 Ca 0.18 -3.58 0.06 0.00 -0.01 0.00 0.00 57.00 53.64 1usq n GLN 120 Cb 0.41 -1.66 0.36 0.00 1.02 0.00 0.00 30.24 30.37 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 -0.53 0.00 -0.40 5.09 -2.24 -1.24 -1.68 114.28 113.27 1usq n THR 121 Ca 0.13 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.98 1usq n THR 121 Cb 0.82 -0.36 0.22 0.00 -2.10 0.00 0.00 70.33 68.91 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 -0.75 3.48 -4.71 3.42 3.02 -1.26 -4.41 115.26 114.06 1usq n ASN 122 Ca 0.09 -2.23 -0.42 0.00 -0.03 0.00 0.00 54.58 51.99 1usq n ASN 122 Cb 0.04 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 38.81 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 -1.42 2.60 0.35 3.41 2.01 -0.68 -4.94 115.64 116.97 1usq s THR 123 Ca 0.34 0.29 -0.29 0.00 0.31 0.00 0.00 61.69 62.34 1usq s THR 123 Cb 0.20 -3.19 -0.11 0.00 0.01 0.00 0.00 72.50 69.42 1usq s THR 123 CO 0.18 0.01 1.50 -2.84 -0.69 0.00 0.00 174.62 172.78 1usq s PRO 124 N 1.88 4.14 0.37 4.92 0.02 -1.26 -4.82 135.00 140.25 1usq s PRO 124 Ca 0.74 2.53 -0.28 0.00 0.02 0.00 0.00 61.00 64.01 1usq s PRO 124 Cb -0.44 -3.00 -0.11 0.00 0.02 0.00 0.00 34.50 30.97 1usq s PRO 124 CO 0.33 -0.53 1.50 -2.14 -0.33 0.00 0.00 177.00 175.84 1usq s PRO 125 N -1.59 4.10 0.00 5.54 0.02 -1.26 -4.86 135.00 136.95 1usq s PRO 125 Ca 0.55 2.58 0.00 0.00 0.02 0.00 0.00 61.00 64.16 1usq s PRO 125 Cb -0.46 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.09 1usq s PRO 125 CO 0.58 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 177.10 1usq n GLY 126 N 0.66 -1.68 3.51 0.52 0.00 -0.69 -4.97 105.19 102.53 1usq n GLY 126 Ca 0.02 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.51 5.24 -0.03 1.61 0.01 -1.26 -0.78 114.94 118.22 1usq s ASN 127 Ca 0.00 -0.11 0.06 0.00 -0.71 0.00 0.00 52.86 52.10 1usq s ASN 127 Cb 0.00 -1.92 -0.02 0.00 0.41 0.00 0.00 41.25 39.72 1usq s ASN 127 CO 0.00 0.05 -0.21 -0.31 -1.51 0.00 0.00 177.10 175.11 1usq s TYR 128 N 1.12 2.48 -0.01 2.20 2.02 0.80 -1.32 117.35 124.64 1usq s TYR 128 Ca 0.04 -0.34 0.02 0.00 -0.37 0.00 0.00 57.07 56.42 1usq s TYR 128 Cb -0.14 -1.55 -0.00 0.00 -0.40 0.00 0.00 41.96 39.86 1usq s TYR 128 CO 0.03 0.04 -0.07 0.99 -1.57 0.00 0.00 175.55 174.97 1usq s THR 129 N -0.65 0.55 -0.13 -0.71 2.01 -0.34 -0.61 115.64 115.77 1usq s THR 129 Ca 0.10 -0.29 0.01 0.00 0.31 0.00 0.00 61.69 61.82 1usq s THR 129 Cb -0.10 -0.47 0.02 0.00 0.01 0.00 0.00 72.50 71.96 1usq s THR 129 CO -0.00 0.16 -0.13 -0.22 -0.69 0.00 0.00 174.62 173.74 1usq s LEU 130 N -0.12 1.59 -0.17 4.42 2.96 0.61 -1.35 118.68 126.62 1usq s LEU 130 Ca 0.02 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.49 1usq s LEU 130 Cb -0.03 -1.07 -0.01 0.00 0.50 0.00 0.00 46.19 45.57 1usq s LEU 130 CO -0.00 -0.05 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.00 1usq s THR 131 N 1.37 3.26 -0.11 3.68 2.01 -1.26 -0.06 115.64 124.53 1usq s THR 131 Ca 0.01 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.47 1usq s THR 131 Cb -0.13 -2.42 0.01 0.00 0.01 0.00 0.00 72.50 69.97 1usq s THR 131 CO -0.07 0.48 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.41 1usq s LEU 132 N 0.79 1.82 -0.11 4.42 1.43 -0.27 -1.74 118.68 125.02 1usq s LEU 132 Ca -0.03 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1usq s LEU 132 Cb -0.15 -1.16 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 1usq s LEU 132 CO 0.01 0.04 0.01 -0.89 0.23 0.00 0.00 176.35 175.76 1usq s THR 133 N 0.87 4.40 0.37 5.49 2.01 0.42 -1.00 115.64 128.20 1usq s THR 133 Ca -0.08 -0.20 -0.23 0.00 0.31 0.00 0.00 61.69 61.48 1usq s THR 133 Cb -0.15 -2.88 -0.10 0.00 0.01 0.00 0.00 72.50 69.37 1usq s THR 133 CO -0.00 0.57 0.93 -0.83 -0.69 0.00 0.00 174.62 174.60 1usq s GLY 134 N -0.54 2.60 0.00 4.40 0.00 -0.30 -1.07 107.32 112.42 1usq s GLY 134 Ca 0.09 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.25 1usq s GLY 134 CO 0.02 0.80 0.00 0.61 0.00 0.00 0.00 173.10 174.53 1usq n GLY 135 N 0.01 1.18 3.14 0.20 0.00 -0.13 -1.49 105.19 108.10 1usq n GLY 135 Ca 0.04 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.44 0.22 0.32 1.61 1.13 -0.73 -0.85 117.35 117.61 1usq s TYR 136 Ca 0.00 -0.59 0.02 0.00 -1.41 0.00 0.00 57.07 55.09 1usq s TYR 136 Cb 0.00 -0.15 -0.03 0.00 -1.10 0.00 0.00 41.96 40.69 1usq s TYR 136 CO 0.00 -0.42 0.50 -0.46 -2.51 0.00 0.00 175.55 172.65 1usq s TRP 137 N -3.16 3.43 0.00 -3.49 -0.11 0.02 -0.60 118.94 115.02 1usq s TRP 137 Ca -0.00 0.18 0.00 0.00 1.22 0.00 0.00 56.10 57.50 1usq s TRP 137 Cb 0.02 -1.84 0.00 0.00 -1.50 0.00 0.00 33.47 30.15 1usq s TRP 137 CO -0.07 0.16 0.00 0.00 -4.62 0.00 0.00 176.95 172.42