#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 0.25 -0.10 1.61 0.15 0.73 -4.97 113.70 111.37 1usq s SER 1 Ca 0.00 0.14 -0.17 0.00 0.70 0.00 0.00 55.95 56.62 1usq s SER 1 Cb 0.00 0.01 -0.05 0.00 -1.71 0.00 0.00 66.02 64.28 1usq s SER 1 CO 0.00 -0.16 0.45 0.12 1.20 0.00 0.00 173.24 174.84 1usq s PHE 2 N 1.38 3.55 -0.29 3.44 2.19 -1.26 -2.27 117.98 124.72 1usq s PHE 2 Ca -0.06 0.88 -0.05 0.00 0.33 0.00 0.00 56.93 58.04 1usq s PHE 2 Cb -0.12 -2.48 0.02 0.00 -1.31 0.00 0.00 43.02 39.13 1usq s PHE 2 CO -0.04 0.27 0.04 0.99 1.83 0.00 0.00 175.22 178.31 1usq s THR 3 N 0.27 3.56 0.13 0.12 2.01 0.13 -4.97 115.64 116.88 1usq s THR 3 Ca 0.24 -0.93 -0.31 0.00 0.31 0.00 0.00 61.69 61.00 1usq s THR 3 Cb -0.15 -2.88 -0.10 0.00 0.01 0.00 0.00 72.50 69.38 1usq s THR 3 CO 0.10 0.04 1.65 -2.84 -0.69 0.00 0.00 174.62 172.89 1usq s PRO 4 N 1.41 4.19 -0.39 4.92 0.02 -1.26 -1.67 135.00 142.22 1usq s PRO 4 Ca 0.00 2.41 -0.00 0.00 0.02 0.00 0.00 61.00 63.43 1usq s PRO 4 Cb -0.18 -3.37 0.19 0.00 0.02 0.00 0.00 34.50 31.16 1usq s PRO 4 CO 0.00 -0.70 0.87 0.45 -0.33 0.00 0.00 177.00 177.29 1usq s SER 5 N 1.83 -0.90 0.00 2.53 0.15 -0.30 -4.92 113.70 112.09 1usq s SER 5 Ca 0.74 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1usq s SER 5 Cb -0.43 1.16 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 1usq s SER 5 CO 0.32 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.30 1usq n GLY 6 N 3.60 -0.85 4.00 9.45 0.00 -1.14 -3.29 105.19 116.95 1usq n GLY 6 Ca 0.11 -1.39 -0.22 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.76 1.98 -0.09 2.61 -4.23 -1.26 -4.59 115.64 107.30 1usq s THR 7 Ca 0.00 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 59.38 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 -2.70 3.09 -0.12 3.99 2.01 -1.26 -1.13 115.64 119.52 1usq s THR 8 Ca 0.53 -0.68 -0.01 0.00 0.31 0.00 0.00 61.69 61.85 1usq s THR 8 Cb -0.05 -2.26 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 1usq s THR 8 CO 0.34 0.56 -0.09 -0.83 -0.69 0.00 0.00 174.62 173.90 1usq s GLY 9 N -0.15 1.63 -0.21 4.40 0.00 -0.14 -4.99 107.32 107.86 1usq s GLY 9 Ca -0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 44.72 43.83 1usq s GLY 9 CO 0.03 -0.26 -0.12 -1.59 0.00 0.00 0.00 173.10 171.16 1usq s THR 10 N 0.09 2.69 -0.27 0.90 2.01 -1.26 -1.23 115.64 118.57 1usq s THR 10 Ca -0.03 -0.80 -0.13 0.00 0.31 0.00 0.00 61.69 61.03 1usq s THR 10 Cb -0.14 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1usq s THR 10 CO 0.04 0.43 0.31 -0.89 -0.69 0.00 0.00 174.62 173.81 1usq s THR 11 N 1.36 5.23 0.01 -0.82 2.01 0.71 -4.96 115.64 119.18 1usq s THR 11 Ca 0.04 0.43 0.08 0.00 0.31 0.00 0.00 61.69 62.55 1usq s THR 11 Cb -0.14 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 1usq s THR 11 CO -0.08 0.20 -0.24 -0.54 -0.69 0.00 0.00 174.62 173.27 1usq s LYS 12 N 1.86 1.82 -0.09 4.92 1.02 -1.26 -0.48 119.74 127.52 1usq s LYS 12 Ca 0.12 -0.95 -0.05 0.00 0.02 0.00 0.00 55.97 55.12 1usq s LYS 12 Cb -0.16 -1.85 0.04 0.00 -0.52 0.00 0.00 37.83 35.34 1usq s LYS 12 CO 0.10 0.49 0.21 -1.17 -0.92 0.00 0.00 175.35 174.06 1usq s LEU 13 N -0.86 0.57 -0.25 3.17 2.96 0.13 -4.62 118.68 119.78 1usq s LEU 13 Ca 0.10 0.44 -0.09 0.00 -0.22 0.00 0.00 54.13 54.36 1usq s LEU 13 Cb -0.09 0.61 -0.04 0.00 0.50 0.00 0.00 46.19 47.17 1usq s LEU 13 CO 0.00 -0.15 0.11 -0.89 -1.32 0.00 0.00 176.35 174.10 1usq s THR 14 N 1.16 4.73 -0.06 3.68 2.01 -0.47 -0.23 115.64 126.45 1usq s THR 14 Ca -0.09 -0.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.76 1usq s THR 14 Cb -0.10 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.14 1usq s THR 14 CO -0.07 0.33 0.30 -0.69 -0.69 0.00 0.00 174.62 173.80 1usq s VAL 15 N 1.48 5.23 0.33 3.82 1.01 0.15 -1.12 120.40 131.29 1usq s VAL 15 Ca 0.06 0.58 0.06 0.00 0.00 0.00 0.00 61.98 62.68 1usq s VAL 15 Cb -0.15 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 1usq s VAL 15 CO 0.06 0.58 0.21 0.35 0.00 0.00 0.00 175.10 176.29 1usq n THR 16 N 2.02 0.00 -2.28 3.92 -2.24 -0.07 -1.89 114.28 113.74 1usq n THR 16 Ca -0.16 -2.19 -0.14 0.00 -2.27 0.00 0.00 64.05 59.30 1usq n THR 16 Cb 0.53 0.98 0.08 0.00 -2.10 0.00 0.00 70.33 69.82 1usq n THR 16 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1usq n GLU 17 N -0.67 0.02 -0.30 -0.78 1.02 -1.26 -0.61 120.64 118.05 1usq n GLU 17 Ca 0.02 -1.48 -0.05 0.00 -0.02 0.00 0.00 57.16 55.63 1usq n GLU 17 Cb 0.55 -0.46 0.07 0.00 -0.02 0.00 0.00 31.44 31.59 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 1.19 -6.16 3.49 3.64 -1.98 -3.35 116.57 113.40 1usq h LYS 18 Ca -0.20 -0.17 -0.60 0.00 -1.27 0.00 0.00 60.65 58.41 1usq h LYS 18 Cb 0.69 -0.21 -0.10 0.00 -0.41 0.00 0.00 32.23 32.19 1usq h LYS 18 CO 0.20 0.91 0.63 0.00 -2.27 0.00 0.00 179.45 178.92 1usq s GLN 20 N 3.94 2.76 -0.39 0.00 0.74 -1.26 -5.06 119.66 120.39 1usq s GLN 20 Ca 0.37 -0.75 -0.03 0.00 0.05 0.00 0.00 55.36 55.00 1usq s GLN 20 Cb -0.10 -2.32 0.10 0.00 1.10 0.00 0.00 33.01 31.79 1usq s GLN 20 CO 0.25 -0.11 0.18 0.08 -0.55 0.00 0.00 175.29 175.14 1usq s VAL 21 N 1.07 3.28 -0.19 1.34 1.01 -1.26 -5.07 120.40 120.57 1usq s VAL 21 Ca -0.02 -1.95 -0.25 0.00 0.00 0.00 0.00 61.98 59.77 1usq s VAL 21 Cb -0.14 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 1usq s VAL 21 CO -0.06 -0.61 0.82 -0.13 0.00 0.00 0.00 175.10 175.12 1usq s ARG 22 N 1.16 4.26 -0.14 2.72 0.52 -1.26 -5.03 118.95 121.18 1usq s ARG 22 Ca 0.06 0.97 0.02 0.00 -0.52 0.00 0.00 55.73 56.26 1usq s ARG 22 Cb -0.22 -3.59 0.01 0.00 0.52 0.00 0.00 34.95 31.66 1usq s ARG 22 CO -0.04 -0.37 -0.21 0.08 0.02 0.00 0.00 175.30 174.78 1usq s VAL 23 N 2.32 2.16 0.00 3.52 1.01 -1.26 -5.04 120.40 123.11 1usq s VAL 23 Ca 0.37 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.40 1usq s VAL 23 Cb -0.16 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1usq s VAL 23 CO 0.11 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.36 1usq n GLY 24 N 4.04 -1.45 3.71 4.51 0.00 -1.26 -4.93 105.19 109.79 1usq n GLY 24 Ca -0.20 -1.30 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 1usq n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1usq s ASP 25 N -4.00 3.84 0.24 1.61 -0.00 -1.26 -4.91 116.67 112.19 1usq s ASP 25 Ca 0.00 2.37 -0.31 0.00 -0.00 0.00 0.00 52.55 54.61 1usq s ASP 25 Cb 0.00 -2.59 -0.12 0.00 -0.00 0.00 0.00 42.92 40.21 1usq s ASP 25 CO 0.00 -2.50 1.60 -0.11 -0.00 0.00 0.00 175.17 174.16 1usq n LEU 26 N -3.06 3.88 -4.24 1.23 7.94 -1.26 -5.01 117.00 116.48 1usq n LEU 26 Ca 0.14 1.11 -0.14 0.00 -1.11 0.00 0.00 56.01 56.01 1usq n LEU 26 Cb 0.50 -1.54 -0.10 0.00 0.53 0.00 0.00 43.42 42.81 1usq n LEU 26 CO 0.48 -0.00 -0.24 0.42 -1.11 0.00 0.00 177.39 176.93 1usq s THR 27 N 0.44 0.21 -0.17 1.96 -4.23 -1.26 -5.11 115.64 107.47 1usq s THR 27 Ca 0.70 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.92 1usq s THR 27 Cb -0.55 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 70.73 1usq s THR 27 CO 0.43 0.00 1.21 -0.69 -0.54 0.00 0.00 174.62 175.03 1usq s VAL 28 N -4.00 4.37 -0.00 2.29 1.01 -1.26 -5.00 120.40 117.80 1usq s VAL 28 Ca 0.39 1.65 -0.02 0.00 0.00 0.00 0.00 61.98 64.00 1usq s VAL 28 Cb 0.07 -4.07 -0.00 0.00 0.00 0.00 0.00 36.38 32.38 1usq s VAL 28 CO 0.13 -0.14 0.03 0.00 0.00 0.00 0.00 175.10 175.12 1usq s ALA 29 N 3.38 -0.06 0.02 5.51 0.00 -1.26 -1.37 121.76 127.98 1usq s ALA 29 Ca 0.53 -0.10 -0.03 0.00 0.00 0.00 0.00 51.96 52.35 1usq s ALA 29 Cb -0.20 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1usq s ALA 29 CO 0.13 -0.07 0.05 0.15 0.00 0.00 0.00 175.76 176.01 1usq s LYS 30 N -0.51 0.43 0.60 0.00 1.02 -0.28 -4.95 119.74 116.06 1usq s LYS 30 Ca -0.06 -0.60 -0.14 0.00 0.02 0.00 0.00 55.97 55.19 1usq s LYS 30 Cb -0.04 0.17 -0.04 0.00 -0.52 0.00 0.00 37.83 37.40 1usq s LYS 30 CO -0.00 -0.09 1.04 0.95 -0.92 0.00 0.00 175.35 176.32 1usq s THR 31 N -1.77 4.15 0.47 2.17 -4.23 -1.26 -0.89 115.64 114.28 1usq s THR 31 Ca -0.12 0.91 0.22 0.00 -1.18 0.00 0.00 61.69 61.51 1usq s THR 31 Cb -0.07 -3.53 0.26 0.00 1.34 0.00 0.00 72.50 70.50 1usq s THR 31 CO -0.01 -0.71 2.08 0.08 -0.54 0.00 0.00 174.62 175.52 1usq h ARG 32 N 0.20 0.00 0.00 3.99 0.11 -1.14 -1.28 114.38 116.25 1usq h ARG 32 Ca -0.46 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.62 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 0.59 0.11 -0.00 0.78 0.10 0.00 0.00 179.97 181.55 1usq h GLY 33 N 0.50 0.00 0.54 0.08 0.00 -1.85 -1.55 103.07 100.79 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 -0.12 -1.06 0.00 0.00 0.00 176.54 175.37 1usq n GLN 34 N -3.10 0.89 -1.54 4.80 6.02 -0.48 -4.42 117.38 119.55 1usq n GLN 34 Ca -0.01 -0.39 -0.32 0.00 -0.01 0.00 0.00 57.00 56.26 1usq n GLN 34 Cb 0.18 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.90 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 -0.71 7.46 -4.91 1.08 4.77 -0.58 -4.87 117.00 119.23 1usq n LEU 35 Ca 0.15 -4.29 -0.28 0.00 -0.03 0.00 0.00 56.01 51.56 1usq n LEU 35 Cb 0.29 -1.40 0.06 0.00 -2.33 0.00 0.00 43.42 40.04 1usq n LEU 35 CO 0.23 1.94 0.66 0.42 -1.33 0.00 0.00 177.39 179.31 1usq s THR 36 N -0.11 2.93 0.25 -5.08 -4.23 -1.26 -0.92 115.64 107.23 1usq s THR 36 Ca 0.62 0.05 -0.31 0.00 -1.18 0.00 0.00 61.69 60.87 1usq s THR 36 Cb 0.25 -3.25 -0.12 0.00 1.34 0.00 0.00 72.50 70.72 1usq s THR 36 CO -0.10 -0.30 1.67 -0.67 -0.54 0.00 0.00 174.62 174.69 1usq n ASP 37 N -2.92 3.99 0.00 3.99 2.03 -1.26 -1.82 116.55 120.56 1usq n ASP 37 Ca 0.07 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.48 1usq n ASP 37 Cb 0.59 -1.59 0.00 0.00 -0.72 0.00 0.00 41.12 39.40 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 3.11 0.00 -1.72 -1.67 0.00 0.13 -4.95 120.51 115.41 1usq n ALA 38 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 1usq n ALA 38 Cb 0.36 -0.55 -0.03 0.00 0.00 0.00 0.00 19.45 19.23 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 2.85 -2.08 0.00 0.00 -0.75 -4.57 120.51 116.96 1usq n ALA 39 Ca 0.00 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.42 1usq n ALA 39 Cb 0.12 -2.53 -0.03 0.00 0.00 0.00 0.00 19.45 17.01 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 1.23 4.38 -0.20 0.00 0.04 -1.26 -0.17 135.00 139.02 1usq s PRO 40 Ca 0.75 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.78 1usq s PRO 40 Cb -0.50 -3.22 -0.20 0.00 0.04 0.00 0.00 34.50 30.61 1usq s PRO 40 CO 0.32 -0.30 0.03 -0.89 0.04 0.00 0.00 177.00 176.20 1usq n ILE 41 N 3.10 1.61 0.00 0.56 5.41 0.11 -4.89 119.36 125.26 1usq n ILE 41 Ca 0.08 -0.55 0.00 0.00 1.00 0.00 0.00 62.75 63.28 1usq n ILE 41 Cb 0.43 -1.63 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 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 2.01 2.17 3.89 7.39 0.00 -1.17 -5.02 105.19 114.46 1usq n GLY 42 Ca -0.40 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 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 3.65 -0.13 1.61 0.04 -1.26 -1.89 135.00 135.01 1usq s PRO 43 Ca 0.00 0.28 -0.00 0.00 0.04 0.00 0.00 61.00 61.32 1usq s PRO 43 Cb 0.00 -2.41 0.03 0.00 0.04 0.00 0.00 34.50 32.16 1usq s PRO 43 CO 0.00 -0.09 -0.08 0.08 0.04 0.00 0.00 177.00 176.95 1usq s VAL 44 N -2.52 1.14 0.33 -0.36 1.01 0.65 -4.95 120.40 115.71 1usq s VAL 44 Ca 0.49 -0.43 -0.23 0.00 0.00 0.00 0.00 61.98 61.80 1usq s VAL 44 Cb -0.10 -1.18 -0.10 0.00 0.00 0.00 0.00 36.38 35.00 1usq s VAL 44 CO 0.38 0.33 0.90 0.42 0.00 0.00 0.00 175.10 177.13 1usq s THR 45 N 1.65 4.33 -0.03 3.92 -4.23 -1.26 -0.62 115.64 119.40 1usq s THR 45 Ca 0.04 1.62 0.00 0.00 -1.18 0.00 0.00 61.69 62.17 1usq s THR 45 Cb -0.13 -3.87 0.03 0.00 1.34 0.00 0.00 72.50 69.87 1usq s THR 45 CO -0.08 0.02 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.33 1usq s VAL 46 N -1.76 0.19 -0.19 2.29 1.01 -0.25 -4.93 120.40 116.76 1usq s VAL 46 Ca 0.52 0.08 -0.05 0.00 0.00 0.00 0.00 61.98 62.54 1usq s VAL 46 Cb -0.16 -0.29 0.06 0.00 0.00 0.00 0.00 36.38 36.00 1usq s VAL 46 CO 0.20 0.15 0.09 -1.10 0.00 0.00 0.00 175.10 174.44 1usq s GLN 47 N 1.05 0.15 0.02 2.72 -1.52 -1.26 -0.73 119.66 120.09 1usq s GLN 47 Ca -0.09 -0.18 -0.04 0.00 -1.95 0.00 0.00 55.36 53.10 1usq s GLN 47 Cb -0.14 -1.79 -0.04 0.00 -0.22 0.00 0.00 33.01 30.82 1usq s GLN 47 CO -0.02 -0.71 0.24 0.00 -0.25 0.00 0.00 175.29 174.56 1usq s ALA 48 N 2.10 3.90 -0.01 6.09 0.00 -0.37 -5.00 121.76 128.47 1usq s ALA 48 Ca 0.02 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1usq s ALA 48 Cb -0.16 -1.98 0.01 0.00 0.00 0.00 0.00 23.12 20.99 1usq s ALA 48 CO -0.12 0.71 -0.00 -0.51 0.00 0.00 0.00 175.76 175.83 1usq s LEU 49 N -2.02 1.70 -0.60 0.00 1.02 -1.26 -4.58 118.68 112.93 1usq s LEU 49 Ca 0.30 -0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.43 1usq s LEU 49 Cb -0.13 -0.10 0.00 0.00 0.02 0.00 0.00 46.19 45.98 1usq s LEU 49 CO 0.19 -0.03 0.00 0.61 0.02 0.00 0.00 176.35 177.15 1usq n GLY 50 N 3.43 0.53 1.20 -3.19 0.00 -1.26 -4.95 105.19 100.96 1usq n GLY 50 Ca -0.18 -0.71 -0.05 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.13 0.00 3.04 -1.92 -2.03 116.42 116.44 1usq h ASP 52 Ca 0.23 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.99 1usq h ASP 52 Cb 1.62 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.89 1usq h ASP 52 CO 0.41 0.00 -0.10 0.00 -2.04 0.00 0.00 179.24 177.51 1usq n ALA 53 N -2.52 3.06 -2.39 4.15 0.00 -1.26 -3.63 120.51 117.93 1usq n ALA 53 Ca 0.02 -2.75 -0.11 0.00 0.00 0.00 0.00 53.44 50.60 1usq n ALA 53 Cb 0.31 -0.53 -0.10 0.00 0.00 0.00 0.00 19.45 19.13 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 -3.00 0.69 -0.40 0.00 1.81 -0.90 -4.94 118.95 112.22 1usq s ARG 54 Ca 0.38 -1.13 -0.21 0.00 -1.72 0.00 0.00 55.73 53.05 1usq s ARG 54 Cb 0.33 -0.15 0.01 0.00 -0.45 0.00 0.00 34.95 34.69 1usq s ARG 54 CO 0.02 -0.01 0.69 -0.65 -0.68 0.00 0.00 175.30 174.67 1usq s GLN 55 N -3.12 3.53 0.48 3.54 -0.21 -1.26 -2.24 119.66 120.39 1usq s GLN 55 Ca 0.04 -0.05 -0.24 0.00 0.02 0.00 0.00 55.36 55.14 1usq s GLN 55 Cb 0.01 -3.87 -0.07 0.00 1.00 0.00 0.00 33.01 30.07 1usq s GLN 55 CO -0.04 -0.90 1.29 0.28 -2.12 0.00 0.00 175.29 173.80 1usq n VAL 56 N 5.80 3.12 -3.71 1.09 0.31 -1.26 -0.79 118.33 122.90 1usq n VAL 56 Ca 0.00 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.72 1usq n VAL 56 Cb 0.48 -1.60 -0.06 0.00 -0.91 0.00 0.00 33.84 31.75 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 -1.26 -0.80 -0.07 3.52 0.00 -0.15 -0.93 121.76 122.07 1usq s ALA 57 Ca 0.66 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.67 1usq s ALA 57 Cb -0.46 0.44 0.01 0.00 0.00 0.00 0.00 23.12 23.11 1usq s ALA 57 CO 0.54 -0.49 -0.14 -0.51 0.00 0.00 0.00 175.76 175.16 1usq s LEU 58 N -2.30 1.71 -0.15 0.00 2.01 -0.68 -1.08 118.68 118.19 1usq s LEU 58 Ca -0.02 -0.34 -0.03 0.00 0.01 0.00 0.00 54.13 53.75 1usq s LEU 58 Cb 0.00 -0.92 -0.03 0.00 0.01 0.00 0.00 46.19 45.26 1usq s LEU 58 CO -0.06 0.05 -0.05 -0.75 1.01 0.00 0.00 176.35 176.55 1usq s LYS 59 N 0.64 3.62 0.31 1.70 2.20 -0.01 -0.89 119.74 127.30 1usq s LYS 59 Ca -0.15 -0.55 -0.23 0.00 -0.36 0.00 0.00 55.97 54.69 1usq s LYS 59 Cb -0.16 -2.87 -0.10 0.00 -1.51 0.00 0.00 37.83 33.20 1usq s LYS 59 CO 0.04 0.25 0.87 0.00 -0.36 0.00 0.00 175.35 176.15 1usq s ALA 60 N 0.34 3.25 0.67 3.13 0.00 -0.22 -0.51 121.76 128.41 1usq s ALA 60 Ca -0.05 0.37 -0.17 0.00 0.00 0.00 0.00 51.96 52.11 1usq s ALA 60 Cb -0.14 -3.05 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 1usq s ALA 60 CO 0.03 0.22 0.85 -0.25 0.00 0.00 0.00 175.76 176.62 1usq n ASP 61 N 0.37 0.16 -0.33 0.00 9.92 -0.72 -4.86 116.55 121.09 1usq n ASP 61 Ca 0.02 0.71 0.12 0.00 -0.53 0.00 0.00 54.79 55.10 1usq n ASP 61 Cb 0.51 -1.35 0.30 0.00 -0.64 0.00 0.00 41.12 39.94 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 0.02 0.67 0.00 -3.53 2.02 -1.93 0.21 112.91 110.36 1usq h THR 62 Ca -0.47 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1usq h THR 62 Cb 1.35 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1usq h THR 62 CO 0.47 0.12 0.00 0.47 0.37 0.00 0.00 175.52 176.96 1usq n ASP 63 N -4.83 0.00 -0.53 4.18 8.00 -1.26 -3.27 116.55 118.84 1usq n ASP 63 Ca 0.22 -0.39 0.05 0.00 0.71 0.00 0.00 54.79 55.38 1usq n ASP 63 Cb 0.56 -0.08 0.11 0.00 -0.02 0.00 0.00 41.12 41.69 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 -1.08 2.49 -3.76 -2.24 3.02 0.06 -4.74 115.26 109.01 1usq n ASN 64 Ca 0.12 -1.79 -0.12 0.00 -0.03 0.00 0.00 54.58 52.75 1usq n ASN 64 Cb 0.08 -0.14 -0.08 0.00 -0.61 0.00 0.00 39.78 39.04 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 -0.95 -0.13 -0.29 3.10 -0.12 -1.20 -0.88 117.98 117.51 1usq s PHE 65 Ca 0.18 0.08 -0.17 0.00 -0.05 0.00 0.00 56.93 56.97 1usq s PHE 65 Cb 0.10 0.09 0.16 0.00 -0.63 0.00 0.00 43.02 42.74 1usq s PHE 65 CO 0.14 -0.46 1.04 -2.00 -0.05 0.00 0.00 175.22 173.89 1usq s GLU 66 N -2.08 0.32 -1.03 1.99 2.12 -0.65 -4.97 118.70 114.39 1usq s GLU 66 Ca -0.08 0.53 -0.06 0.00 0.36 0.00 0.00 54.97 55.73 1usq s GLU 66 Cb -0.03 0.07 0.01 0.00 0.26 0.00 0.00 34.13 34.44 1usq s GLU 66 CO -0.00 -0.06 0.90 0.94 -0.54 0.00 0.00 175.26 176.49 1usq n GLN 67 N 3.45 -6.01 -0.88 4.30 7.27 -1.26 -2.01 117.38 122.23 1usq n GLN 67 Ca -0.18 0.65 0.00 0.00 0.07 0.00 0.00 57.00 57.54 1usq n GLN 67 Cb 0.57 -5.13 0.00 0.00 2.41 0.00 0.00 30.24 28.09 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 -1.57 0.34 3.56 1.69 0.00 -1.26 -4.99 105.19 102.96 1usq n GLY 68 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.82 2.63 0.12 1.61 1.02 -0.85 -5.00 119.74 118.45 1usq s LYS 69 Ca 0.00 -0.63 0.02 0.00 0.02 0.00 0.00 55.97 55.39 1usq s LYS 69 Cb 0.00 -2.51 -0.04 0.00 -0.52 0.00 0.00 37.83 34.76 1usq s LYS 69 CO 0.00 0.64 0.22 -0.06 -0.92 0.00 0.00 175.35 175.23 1usq s PHE 70 N -0.83 3.39 -0.09 3.18 0.40 -1.26 -1.64 117.98 121.13 1usq s PHE 70 Ca 0.13 0.12 -0.30 0.00 -0.60 0.00 0.00 56.93 56.28 1usq s PHE 70 Cb -0.11 -1.65 0.07 0.00 0.51 0.00 0.00 43.02 41.84 1usq s PHE 70 CO 0.03 0.53 0.70 -0.59 0.70 0.00 0.00 175.22 176.59 1usq s PHE 71 N -1.65 -0.66 0.51 0.36 -0.12 -0.06 -1.92 117.98 114.43 1usq s PHE 71 Ca 0.33 1.21 -0.19 0.00 -0.05 0.00 0.00 56.93 58.22 1usq s PHE 71 Cb -0.11 0.39 -0.08 0.00 -0.63 0.00 0.00 43.02 42.59 1usq s PHE 71 CO 0.27 -0.56 1.05 -0.51 -0.05 0.00 0.00 175.22 175.41 1usq s LEU 72 N -0.97 3.79 -0.02 -1.99 1.02 0.16 -4.53 118.68 116.14 1usq s LEU 72 Ca -0.09 1.93 0.06 0.00 0.02 0.00 0.00 54.13 56.04 1usq s LEU 72 Cb -0.01 -4.56 -0.01 0.00 0.02 0.00 0.00 46.19 41.63 1usq s LEU 72 CO 0.08 -0.86 -0.19 -0.51 0.02 0.00 0.00 176.35 174.89 1usq s ILE 73 N -2.04 1.51 0.90 -0.59 1.10 -0.21 -1.44 121.20 120.43 1usq s ILE 73 Ca 0.67 -0.81 -0.11 0.00 -0.51 0.00 0.00 60.65 59.89 1usq s ILE 73 Cb -0.17 -1.26 0.13 0.00 0.15 0.00 0.00 42.46 41.32 1usq s ILE 73 CO 0.23 0.43 1.11 -0.94 -2.11 0.00 0.00 174.94 173.66 1usq s SER 74 N -0.40 3.21 0.32 4.50 1.04 -0.47 -1.15 113.70 120.76 1usq s SER 74 Ca 0.06 1.94 0.05 0.00 0.48 0.00 0.00 55.95 58.48 1usq s SER 74 Cb -0.08 -2.48 0.68 0.00 0.10 0.00 0.00 66.02 64.24 1usq s SER 74 CO -0.00 -2.88 1.87 0.44 0.98 0.00 0.00 173.24 173.65 1usq h ASP 75 N -1.71 0.79 -0.05 7.02 5.19 -1.56 -0.42 116.42 125.68 1usq h ASP 75 Ca -0.46 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 1usq h ASP 75 Cb 1.27 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.65 1usq h ASP 75 CO 0.47 0.43 0.00 -0.46 -3.12 0.00 0.00 179.24 176.56 1usq n ASN 76 N -4.56 0.59 0.00 6.45 2.04 -1.26 -4.90 115.26 113.61 1usq n ASN 76 Ca 0.17 -1.47 0.00 0.00 -0.44 0.00 0.00 54.58 52.84 1usq n ASN 76 Cb 0.37 -0.03 0.00 0.00 -2.53 0.00 0.00 39.78 37.59 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 -0.42 -2.40 -0.06 0.53 4.05 -0.17 -4.90 115.26 111.90 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 0.17 -1.18 -0.13 0.00 1.23 0.00 0.00 39.78 39.87 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 -1.84 0.67 -3.80 1.20 0.63 -1.26 -4.87 116.66 107.38 1usq n ARG 78 Ca 0.00 0.35 -0.36 0.00 -0.92 0.00 0.00 57.85 56.93 1usq n ARG 78 Cb 0.10 -1.68 -0.08 0.00 0.45 0.00 0.00 32.46 31.25 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 -6.97 6.21 0.03 6.15 1.01 -1.26 -4.96 116.67 116.88 1usq s ASP 79 Ca -0.27 0.29 0.00 0.00 0.71 0.00 0.00 52.55 53.28 1usq s ASP 79 Cb 0.07 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 41.90 1usq s ASP 79 CO 0.67 0.25 0.10 -0.54 0.21 0.00 0.00 175.17 175.86 1usq s LYS 80 N -0.08 3.09 -0.31 8.23 1.02 -1.26 -1.36 119.74 129.06 1usq s LYS 80 Ca 0.10 -0.52 0.00 0.00 0.02 0.00 0.00 55.97 55.57 1usq s LYS 80 Cb -0.11 -2.86 0.10 0.00 -0.52 0.00 0.00 37.83 34.43 1usq s LYS 80 CO -0.00 0.62 0.09 -1.17 -0.92 0.00 0.00 175.35 173.97 1usq s LEU 81 N -2.02 2.72 0.21 3.17 2.96 -0.52 -4.97 118.68 120.22 1usq s LEU 81 Ca 0.26 -1.73 -0.31 0.00 -0.22 0.00 0.00 54.13 52.14 1usq s LEU 81 Cb -0.12 -1.01 -0.10 0.00 0.50 0.00 0.00 46.19 45.46 1usq s LEU 81 CO 0.18 -0.41 1.46 -0.31 -1.32 0.00 0.00 176.35 175.96 1usq s TYR 82 N 1.48 3.07 0.18 5.38 1.51 -1.26 -0.67 117.35 127.04 1usq s TYR 82 Ca 0.10 0.92 0.04 0.00 -1.01 0.00 0.00 57.07 57.12 1usq s TYR 82 Cb -0.18 -3.82 -0.05 0.00 -0.11 0.00 0.00 41.96 37.80 1usq s TYR 82 CO -0.22 -2.80 -0.07 0.14 -1.11 0.00 0.00 175.55 171.49 1usq s VAL 83 N 0.43 1.15 -0.03 0.71 -7.23 -0.81 -1.03 120.40 113.59 1usq s VAL 83 Ca 0.63 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 1usq s VAL 83 Cb -0.42 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 1usq s VAL 83 CO 0.38 -0.60 -0.04 0.20 -0.31 0.00 0.00 175.10 174.73 1usq s ASN 84 N -3.22 4.84 -0.16 4.85 0.01 0.92 -4.31 114.94 117.87 1usq s ASN 84 Ca 0.21 -0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.33 1usq s ASN 84 Cb 0.03 -1.22 0.00 0.00 0.41 0.00 0.00 41.25 40.47 1usq s ASN 84 CO 0.03 0.32 -0.17 -0.63 -1.51 0.00 0.00 177.10 175.15 1usq s ILE 85 N -0.95 2.49 -0.16 0.60 1.01 -1.26 -1.16 121.20 121.76 1usq s ILE 85 Ca 0.16 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 59.91 1usq s ILE 85 Cb -0.11 -2.05 0.06 0.00 0.01 0.00 0.00 42.46 40.37 1usq s ILE 85 CO 0.06 0.52 0.37 -0.60 0.00 0.00 0.00 174.94 175.29 1usq s ARG 86 N 0.97 0.34 0.42 2.79 3.52 -0.72 -4.98 118.95 121.28 1usq s ARG 86 Ca -0.03 0.77 -0.25 0.00 -0.13 0.00 0.00 55.73 56.09 1usq s ARG 86 Cb -0.15 -0.00 -0.08 0.00 -1.56 0.00 0.00 34.95 33.16 1usq s ARG 86 CO -0.03 -0.18 1.28 -1.25 -0.81 0.00 0.00 175.30 174.31 1usq s PRO 87 N 1.57 3.90 0.51 5.12 0.04 -1.26 -0.15 135.00 144.72 1usq s PRO 87 Ca -0.08 2.09 0.32 0.00 0.04 0.00 0.00 61.00 63.36 1usq s PRO 87 Cb -0.09 -2.68 1.22 0.00 0.04 0.00 0.00 34.50 32.99 1usq s PRO 87 CO -0.12 -0.53 1.92 1.79 0.04 0.00 0.00 177.00 180.11 1usq h THR 88 N 2.32 0.00 -3.31 1.26 1.35 -1.49 -3.45 112.91 109.59 1usq h THR 88 Ca -0.50 -0.53 -0.08 0.00 -0.55 0.00 0.00 66.41 64.76 1usq h THR 88 Cb 1.25 1.50 0.02 0.00 -1.73 0.00 0.00 68.15 69.19 1usq h THR 88 CO 0.62 0.00 0.03 -0.90 -0.25 0.00 0.00 175.52 175.02 1usq n ASP 89 N -2.99 0.18 -1.35 5.36 3.85 -1.26 -4.99 116.55 115.34 1usq n ASP 89 Ca 0.01 -1.17 0.05 0.00 -0.71 0.00 0.00 54.79 52.98 1usq n ASP 89 Cb 0.32 -0.12 0.26 0.00 -1.35 0.00 0.00 41.12 40.23 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 3.92 -4.80 -1.12 3.02 -1.26 -4.98 115.26 107.02 1usq n ASN 90 Ca 0.03 -2.53 -0.34 0.00 -0.03 0.00 0.00 54.58 51.71 1usq n ASN 90 Cb 0.10 -0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.66 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 6.27 -0.16 6.41 1.04 -1.26 -5.03 113.70 120.40 1usq s SER 91 Ca 0.35 1.92 -0.13 0.00 0.48 0.00 0.00 55.95 58.57 1usq s SER 91 Cb 0.26 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.78 1usq s SER 91 CO 0.12 -0.83 0.27 0.00 0.98 0.00 0.00 173.24 173.78 1usq s ALA 92 N -2.04 3.61 0.27 5.32 0.00 -1.26 -4.89 121.76 122.77 1usq s ALA 92 Ca 0.67 -0.48 0.04 0.00 0.00 0.00 0.00 51.96 52.18 1usq s ALA 92 Cb -0.16 -2.36 -0.06 0.00 0.00 0.00 0.00 23.12 20.54 1usq s ALA 92 CO 0.22 0.11 0.03 -1.58 0.00 0.00 0.00 175.76 174.53 1usq s TRP 93 N 0.43 1.73 0.02 0.00 0.52 -1.26 -0.82 118.94 119.56 1usq s TRP 93 Ca 0.16 -0.95 0.02 0.00 0.02 0.00 0.00 56.10 55.35 1usq s TRP 93 Cb -0.13 -1.05 -0.02 0.00 -1.15 0.00 0.00 33.47 31.12 1usq s TRP 93 CO 0.03 -0.03 -0.07 0.99 0.02 0.00 0.00 176.95 177.89 1usq s THR 94 N -3.38 0.52 -0.17 2.01 2.01 0.93 -4.85 115.64 112.71 1usq s THR 94 Ca 0.33 -0.71 -0.07 0.00 0.31 0.00 0.00 61.69 61.55 1usq s THR 94 Cb 0.07 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 1usq s THR 94 CO 0.12 -0.14 0.07 -0.89 -0.69 0.00 0.00 174.62 173.09 1usq s THR 95 N -0.80 4.85 -0.30 -0.82 2.01 -1.26 -0.61 115.64 118.70 1usq s THR 95 Ca -0.04 -0.02 -0.01 0.00 0.31 0.00 0.00 61.69 61.93 1usq s THR 95 Cb -0.06 -3.17 0.12 0.00 0.01 0.00 0.00 72.50 69.40 1usq s THR 95 CO 0.00 0.48 0.23 -0.62 -0.69 0.00 0.00 174.62 174.03 1usq s ASP 96 N 0.17 2.43 -0.99 3.53 3.68 0.13 -4.98 116.67 120.64 1usq s ASP 96 Ca 0.05 -1.12 -0.14 0.00 2.13 0.00 0.00 52.55 53.48 1usq s ASP 96 Cb -0.12 0.13 0.00 0.00 -1.45 0.00 0.00 42.92 41.48 1usq s ASP 96 CO 0.00 -0.39 0.71 -3.20 0.13 0.00 0.00 175.17 172.42 1usq n ASN 97 N 5.12 -5.47 0.00 -0.34 5.15 -1.26 -1.90 115.26 116.56 1usq n ASN 97 Ca -0.02 -0.88 0.00 0.00 -0.60 0.00 0.00 54.58 53.08 1usq n ASN 97 Cb 0.44 -3.01 0.00 0.00 -0.53 0.00 0.00 39.78 36.68 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 -1.74 1.78 3.54 8.20 0.00 -1.26 -5.01 105.19 110.70 1usq n GLY 98 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.96 4.00 -0.36 1.61 1.01 -0.80 -1.06 120.40 121.84 1usq s VAL 99 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1usq s VAL 99 Cb 0.00 -2.73 0.10 0.00 0.00 0.00 0.00 36.38 33.74 1usq s VAL 99 CO 0.00 0.52 0.11 0.12 0.00 0.00 0.00 175.10 175.84 1usq s PHE 100 N 0.08 3.65 0.18 5.22 5.36 -0.07 0.21 117.98 132.61 1usq s PHE 100 Ca 0.00 -2.67 0.09 0.00 -0.96 0.00 0.00 56.93 53.40 1usq s PHE 100 Cb -0.13 -2.97 -0.04 0.00 -0.34 0.00 0.00 43.02 39.54 1usq s PHE 100 CO 0.02 -0.95 -0.10 1.52 -1.46 0.00 0.00 175.22 174.26 1usq s TYR 101 N 1.03 2.62 0.25 10.12 1.13 0.22 -1.69 117.35 131.04 1usq s TYR 101 Ca 0.08 -0.23 -0.29 0.00 -1.41 0.00 0.00 57.07 55.22 1usq s TYR 101 Cb -0.21 -1.28 -0.09 0.00 -1.10 0.00 0.00 41.96 39.29 1usq s TYR 101 CO -0.06 0.52 0.96 0.21 -2.51 0.00 0.00 175.55 174.67 1usq s LYS 102 N -2.86 4.80 0.28 -3.49 2.20 -0.10 -0.05 119.74 120.52 1usq s LYS 102 Ca 0.25 1.51 0.06 0.00 -0.36 0.00 0.00 55.97 57.43 1usq s LYS 102 Cb -0.09 -3.22 0.41 0.00 -1.51 0.00 0.00 37.83 33.43 1usq s LYS 102 CO 0.15 0.45 1.68 -0.91 -0.36 0.00 0.00 175.35 176.36 1usq h ASN 103 N 4.00 0.28 -2.90 1.43 -0.26 -1.31 -3.43 115.58 113.39 1usq h ASN 103 Ca -0.45 -0.12 -0.60 0.00 -0.56 0.00 0.00 56.30 54.56 1usq h ASN 103 Cb 1.20 -0.08 -0.09 0.00 -1.06 0.00 0.00 38.32 38.29 1usq h ASN 103 CO 0.68 0.68 -0.60 -1.81 -1.06 0.00 0.00 177.43 175.31 1usq s ASP 104 N -6.88 5.31 0.82 5.81 1.01 -1.26 -5.05 116.67 116.43 1usq s ASP 104 Ca -0.05 -0.17 -0.11 0.00 0.71 0.00 0.00 52.55 52.93 1usq s ASP 104 Cb 0.13 -1.33 0.08 0.00 1.01 0.00 0.00 42.92 42.81 1usq s ASP 104 CO 0.78 0.10 1.09 0.68 0.21 0.00 0.00 175.17 178.03 1usq s VAL 105 N -1.63 3.06 0.00 -1.27 -7.23 -1.26 -4.54 120.40 107.53 1usq s VAL 105 Ca 0.29 0.34 0.00 0.00 -1.81 0.00 0.00 61.98 60.81 1usq s VAL 105 Cb -0.10 -2.98 0.00 0.00 0.56 0.00 0.00 36.38 33.86 1usq s VAL 105 CO 0.22 -0.45 0.00 0.61 -0.31 0.00 0.00 175.10 175.17 1usq n GLY 106 N -1.69 4.62 3.07 2.32 0.00 -0.81 -4.93 105.19 107.78 1usq n GLY 106 Ca 0.07 -1.27 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 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 4.76 -4.77 1.61 7.64 -1.20 -4.44 113.62 117.22 1usq n SER 107 Ca 0.00 -2.98 -0.38 0.00 1.01 0.00 0.00 58.87 56.52 1usq n SER 107 Cb 0.00 -1.59 -0.01 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 2.06 2.90 0.00 1.43 -0.00 -1.26 -4.65 118.94 119.43 1usq s TRP 108 Ca 0.45 1.51 0.04 0.00 -0.00 0.00 0.00 56.10 58.10 1usq s TRP 108 Cb 0.07 -3.46 -0.01 0.00 -0.00 0.00 0.00 33.47 30.07 1usq s TRP 108 CO -0.01 -1.62 -0.11 0.20 -0.00 0.00 0.00 176.95 175.41 1usq s GLY 109 N -1.15 0.58 0.00 5.86 0.00 -1.26 -1.24 107.32 110.11 1usq s GLY 109 Ca 0.60 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.78 1usq s GLY 109 CO 0.39 -0.48 0.00 0.61 0.00 0.00 0.00 173.10 173.62 1usq n GLY 110 N 2.59 -1.30 3.49 0.20 0.00 0.09 -4.99 105.19 105.29 1usq n GLY 110 Ca -0.15 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.48 3.66 -0.23 -0.61 -1.09 -1.26 -1.09 121.20 118.09 1usq s ILE 111 Ca 0.00 -0.46 -0.06 0.00 -2.23 0.00 0.00 60.65 57.90 1usq s ILE 111 Cb 0.00 -2.56 -0.02 0.00 -1.58 0.00 0.00 42.46 38.30 1usq s ILE 111 CO 0.00 0.53 0.04 -0.63 -1.23 0.00 0.00 174.94 173.65 1usq s ILE 112 N 0.04 4.08 0.16 2.92 -1.09 0.21 -1.11 121.20 126.41 1usq s ILE 112 Ca -0.01 -0.25 -0.15 0.00 -2.23 0.00 0.00 60.65 58.00 1usq s ILE 112 Cb -0.14 -2.89 -0.07 0.00 -1.58 0.00 0.00 42.46 37.78 1usq s ILE 112 CO 0.03 0.37 0.58 -0.83 -1.23 0.00 0.00 174.94 173.87 1usq s GLY 113 N 1.46 2.49 -0.20 6.18 0.00 0.79 -0.25 107.32 117.78 1usq s GLY 113 Ca 0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 44.72 44.67 1usq s GLY 113 CO 0.02 0.22 -0.07 -0.42 0.00 0.00 0.00 173.10 172.84 1usq s ILE 114 N -1.48 3.20 0.04 0.90 -1.09 -0.79 -1.76 121.20 120.21 1usq s ILE 114 Ca 0.39 -0.56 0.06 0.00 -2.23 0.00 0.00 60.65 58.31 1usq s ILE 114 Cb -0.15 -2.43 -0.02 0.00 -1.58 0.00 0.00 42.46 38.27 1usq s ILE 114 CO 0.19 0.45 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.87 1usq s TYR 115 N 1.30 1.55 0.20 3.97 2.02 -0.31 0.06 117.35 126.14 1usq s TYR 115 Ca 0.04 -0.36 -0.32 0.00 -0.37 0.00 0.00 57.07 56.06 1usq s TYR 115 Cb -0.14 -0.93 -0.11 0.00 -0.40 0.00 0.00 41.96 40.38 1usq s TYR 115 CO -0.03 0.06 1.67 0.08 -1.57 0.00 0.00 175.55 175.76 1usq s VAL 116 N -0.79 2.18 -0.54 0.71 1.01 0.76 -0.06 120.40 123.68 1usq s VAL 116 Ca 0.05 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.06 1usq s VAL 116 Cb -0.08 -3.08 0.14 0.00 0.00 0.00 0.00 36.38 33.35 1usq s VAL 116 CO 0.01 0.01 0.43 -0.62 0.00 0.00 0.00 175.10 174.94 1usq s ASP 117 N 1.12 5.90 0.00 3.32 2.15 -0.20 -0.70 116.67 128.27 1usq s ASP 117 Ca 0.73 -2.05 0.00 0.00 0.43 0.00 0.00 52.55 51.66 1usq s ASP 117 Cb -0.48 -2.07 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 1usq s ASP 117 CO 0.33 -0.69 0.00 0.61 -0.17 0.00 0.00 175.17 175.24 1usq n GLY 118 N 4.77 -1.36 3.72 2.66 0.00 -1.26 -4.73 105.19 108.99 1usq n GLY 118 Ca -0.06 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 1usq n GLY 118 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1usq s GLN 119 N -5.47 4.13 -0.38 1.61 1.03 -1.26 -4.44 119.66 114.87 1usq s GLN 119 Ca 0.00 2.60 0.13 0.00 0.04 0.00 0.00 55.36 58.13 1usq s GLN 119 Cb 0.00 -3.07 0.41 0.00 0.03 0.00 0.00 33.01 30.38 1usq s GLN 119 CO 0.00 -0.74 0.92 1.04 -2.54 0.00 0.00 175.29 173.97 1usq n GLN 120 N 3.81 1.76 0.00 9.60 6.02 -0.09 -4.91 117.38 133.58 1usq n GLN 120 Ca 0.15 -3.70 0.12 0.00 -0.01 0.00 0.00 57.00 53.56 1usq n GLN 120 Cb 0.35 -1.66 0.65 0.00 1.02 0.00 0.00 30.24 30.60 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 -0.07 0.13 -0.46 5.09 -2.24 -1.25 -2.07 114.28 113.41 1usq n THR 121 Ca 0.21 0.03 0.10 0.00 -2.27 0.00 0.00 64.05 62.13 1usq n THR 121 Cb 0.70 -0.65 0.31 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.13 4.12 -4.72 3.42 3.02 -1.26 -4.31 115.26 114.39 1usq n ASN 122 Ca 0.15 -2.19 -0.42 0.00 -0.03 0.00 0.00 54.58 52.08 1usq n ASN 122 Cb 0.13 -0.49 -0.03 0.00 -0.61 0.00 0.00 39.78 38.78 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 1.25 0.24 -2.00 3.41 -1.04 -0.88 -4.93 114.28 110.32 1usq n THR 123 Ca 0.23 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.77 1usq n THR 123 Cb 0.70 -1.94 -0.02 0.00 -1.82 0.00 0.00 70.33 67.26 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 0.76 4.27 0.29 -2.82 0.02 -1.26 -4.83 135.00 131.43 1usq s PRO 124 Ca 0.73 2.34 -0.30 0.00 0.02 0.00 0.00 61.00 63.79 1usq s PRO 124 Cb -0.52 -3.05 -0.11 0.00 0.02 0.00 0.00 34.50 30.84 1usq s PRO 124 CO 0.36 -0.34 1.51 -2.14 -0.33 0.00 0.00 177.00 176.06 1usq s PRO 125 N -1.54 4.18 0.00 5.54 0.02 -1.26 -4.86 135.00 137.09 1usq s PRO 125 Ca 0.52 2.46 0.00 0.00 0.02 0.00 0.00 61.00 64.00 1usq s PRO 125 Cb -0.42 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.05 1usq s PRO 125 CO 0.53 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 177.10 1usq n GLY 126 N 1.85 -1.47 3.56 0.52 0.00 -0.79 -4.97 105.19 103.89 1usq n GLY 126 Ca 0.06 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.69 5.40 -0.01 1.61 0.01 -1.26 -0.67 114.94 117.33 1usq s ASN 127 Ca 0.00 -0.04 0.08 0.00 -0.71 0.00 0.00 52.86 52.19 1usq s ASN 127 Cb 0.00 -1.94 -0.02 0.00 0.41 0.00 0.00 41.25 39.70 1usq s ASN 127 CO 0.00 0.10 -0.24 -0.31 -1.51 0.00 0.00 177.10 175.14 1usq s TYR 128 N 0.82 2.40 0.02 2.20 2.02 0.68 -1.29 117.35 124.20 1usq s TYR 128 Ca 0.03 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.36 1usq s TYR 128 Cb -0.14 -1.50 -0.01 0.00 -0.40 0.00 0.00 41.96 39.92 1usq s TYR 128 CO 0.02 0.04 -0.05 0.99 -1.57 0.00 0.00 175.55 174.98 1usq s THR 129 N -0.68 0.37 -0.09 -0.71 2.01 -0.30 -0.69 115.64 115.55 1usq s THR 129 Ca 0.11 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.54 1usq s THR 129 Cb -0.10 -0.39 0.02 0.00 0.01 0.00 0.00 72.50 72.04 1usq s THR 129 CO 0.00 -0.14 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.48 1usq s LEU 130 N -0.77 1.32 -0.16 4.42 2.96 0.37 -1.05 118.68 125.76 1usq s LEU 130 Ca -0.05 -0.28 -0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1usq s LEU 130 Cb -0.05 -0.79 -0.02 0.00 0.50 0.00 0.00 46.19 45.83 1usq s LEU 130 CO -0.00 -0.07 -0.09 -0.89 -1.32 0.00 0.00 176.35 173.98 1usq s THR 131 N 1.31 3.30 -0.10 3.68 2.01 -1.26 -0.21 115.64 124.37 1usq s THR 131 Ca -0.03 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.43 1usq s THR 131 Cb -0.14 -2.43 0.01 0.00 0.01 0.00 0.00 72.50 69.96 1usq s THR 131 CO -0.04 0.49 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.49 1usq s LEU 132 N 0.64 1.67 -0.11 4.42 1.43 -0.36 -1.76 118.68 124.60 1usq s LEU 132 Ca -0.05 -0.39 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1usq s LEU 132 Cb -0.15 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 1usq s LEU 132 CO 0.03 0.01 -0.03 -0.89 0.23 0.00 0.00 176.35 175.70 1usq s THR 133 N 0.93 3.96 0.44 5.49 2.01 0.33 -0.97 115.64 127.83 1usq s THR 133 Ca -0.08 -0.36 -0.22 0.00 0.31 0.00 0.00 61.69 61.34 1usq s THR 133 Cb -0.15 -2.69 -0.09 0.00 0.01 0.00 0.00 72.50 69.58 1usq s THR 133 CO -0.00 0.55 1.01 -0.83 -0.69 0.00 0.00 174.62 174.67 1usq s GLY 134 N -0.30 2.56 0.00 4.40 0.00 -0.28 -0.83 107.32 112.87 1usq s GLY 134 Ca 0.05 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.35 1usq s GLY 134 CO 0.02 0.93 0.00 0.61 0.00 0.00 0.00 173.10 174.66 1usq n GLY 135 N -0.13 -0.65 3.04 0.20 0.00 -0.24 -1.15 105.19 106.26 1usq n GLY 135 Ca 0.07 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.40 0.28 0.37 1.61 1.13 -0.67 -0.98 117.35 115.68 1usq s TYR 136 Ca 0.00 -0.59 0.08 0.00 -1.41 0.00 0.00 57.07 55.15 1usq s TYR 136 Cb 0.00 -0.20 -0.05 0.00 -1.10 0.00 0.00 41.96 40.60 1usq s TYR 136 CO 0.00 -0.27 0.11 -0.46 -2.51 0.00 0.00 175.55 172.42 1usq s TRP 137 N -2.18 2.62 0.00 -3.49 -0.00 0.03 -0.69 118.94 115.23 1usq s TRP 137 Ca -0.09 -0.48 0.00 0.00 -0.00 0.00 0.00 56.10 55.53 1usq s TRP 137 Cb -0.04 -1.71 0.00 0.00 -0.00 0.00 0.00 33.47 31.71 1usq s TRP 137 CO -0.03 0.33 0.00 0.00 -0.00 0.00 0.00 176.95 177.25