#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m81 n PHE 4 N 0.00 0.15 -3.25 1.38 -1.74 -1.26 -4.99 117.46 107.74 3m81 n PHE 4 Ca 0.00 0.04 -0.10 0.00 -0.56 0.00 0.00 57.45 56.83 3m81 n PHE 4 Cb 0.00 -0.35 0.02 0.00 1.52 0.00 0.00 39.48 40.67 3m81 n PHE 4 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 3m81 n ASP 5 N -1.93 1.27 -4.60 5.98 -0.08 -1.26 -5.05 116.55 110.88 3m81 n ASP 5 Ca 0.01 -1.77 -0.43 0.00 -1.51 0.00 0.00 54.79 51.09 3m81 n ASP 5 Cb 0.44 -0.13 -0.00 0.00 2.34 0.00 0.00 41.12 43.77 3m81 n ASP 5 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3m81 n LEU 6 N 0.00 2.09 -4.69 -2.67 4.77 -1.26 -4.94 117.00 110.31 3m81 n LEU 6 Ca 0.05 1.11 -0.35 0.00 -0.03 0.00 0.00 56.01 56.79 3m81 n LEU 6 Cb 0.28 -1.31 0.10 0.00 -2.33 0.00 0.00 43.42 40.16 3m81 n LEU 6 CO 0.18 -1.46 0.76 -0.81 -1.33 0.00 0.00 177.39 174.72 3m81 n PRO 7 N 0.50 0.50 -0.28 3.23 -0.04 -1.26 -4.65 135.00 132.99 3m81 n PRO 7 Ca 0.09 0.24 0.07 0.00 -0.04 0.00 0.00 63.50 63.86 3m81 n PRO 7 Cb 0.35 -2.42 0.29 0.00 -0.04 0.00 0.00 33.50 31.68 3m81 n PRO 7 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3m81 h LEU 8 N -0.39 0.81 -1.41 1.53 5.85 -1.99 -0.76 115.31 118.95 3m81 h LEU 8 Ca -0.48 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 3m81 h LEU 8 Cb 1.32 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 3m81 h LEU 8 CO 0.48 0.48 0.34 -0.33 -0.34 0.00 0.00 178.44 179.07 3m81 h GLU 9 N 0.89 0.73 0.14 1.25 3.07 -2.00 -1.59 114.58 117.07 3m81 h GLU 9 Ca 0.41 -0.06 -0.29 0.00 -0.50 0.00 0.00 59.36 58.92 3m81 h GLU 9 Cb 0.39 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 3m81 h GLU 9 CO -0.17 0.51 -1.36 0.93 -1.40 0.00 0.00 179.01 177.52 3m81 h GLU 10 N 0.75 0.29 -0.83 2.33 5.08 -1.54 -3.29 114.58 117.38 3m81 h GLU 10 Ca 0.20 -0.49 0.07 0.00 -1.00 0.00 0.00 59.36 58.13 3m81 h GLU 10 Cb -0.04 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 3m81 h GLU 10 CO -0.04 1.21 0.50 -0.07 -1.00 0.00 0.00 179.01 179.61 3m81 h LEU 11 N 0.08 0.78 -1.32 1.33 3.38 -0.99 -0.44 115.31 118.13 3m81 h LEU 11 Ca -0.18 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3m81 h LEU 11 Cb 2.00 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.62 3m81 h LEU 11 CO 0.20 0.49 0.00 0.11 0.09 0.00 0.00 178.44 179.33 3m81 h LYS 12 N 0.91 0.00 -0.08 1.13 1.57 -1.36 -2.31 116.57 116.43 3m81 h LYS 12 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 3m81 h LYS 12 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3m81 h LYS 12 CO -0.18 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.33 3m81 n LYS 13 N -2.51 0.88 -2.32 3.15 5.02 -0.81 -5.01 118.16 116.56 3m81 n LYS 13 Ca 0.00 -1.22 -0.43 0.00 -2.02 0.00 0.00 58.31 54.64 3m81 n LYS 13 Cb 0.17 -1.16 -0.02 0.00 -0.02 0.00 0.00 35.03 34.01 3m81 n LYS 13 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3m81 s TYR 14 N -0.74 2.44 -0.45 2.13 5.04 -0.24 -4.91 117.35 120.62 3m81 s TYR 14 Ca 0.11 0.73 0.05 0.00 -2.44 0.00 0.00 57.07 55.52 3m81 s TYR 14 Cb 0.07 -4.06 0.20 0.00 0.35 0.00 0.00 41.96 38.51 3m81 s TYR 14 CO 0.10 -2.10 0.43 0.54 -1.34 0.00 0.00 175.55 173.18 3m81 n ARG 15 N 7.68 0.67 -1.48 4.97 1.74 -1.26 -4.39 116.66 124.60 3m81 n ARG 15 Ca 0.16 -3.44 -0.32 0.00 -0.77 0.00 0.00 57.85 53.49 3m81 n ARG 15 Cb 0.47 -1.65 0.08 0.00 -1.02 0.00 0.00 32.46 30.33 3m81 n ARG 15 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3m81 s PRO 16 N -0.63 2.41 0.20 5.56 0.04 -1.26 -4.91 135.00 136.42 3m81 s PRO 16 Ca 0.33 1.37 -0.31 0.00 0.04 0.00 0.00 61.00 62.43 3m81 s PRO 16 Cb 0.07 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.60 3m81 s PRO 16 CO -0.16 -1.55 1.61 -2.00 0.04 0.00 0.00 177.00 174.95 3m81 s GLU 17 N -4.38 4.18 0.28 4.56 2.12 -1.26 -4.95 118.70 119.25 3m81 s GLU 17 Ca 0.66 2.46 -0.24 0.00 0.36 0.00 0.00 54.97 58.21 3m81 s GLU 17 Cb -0.21 -3.11 -0.09 0.00 0.26 0.00 0.00 34.13 30.98 3m81 s GLU 17 CO 0.48 -0.64 0.86 1.03 -0.54 0.00 0.00 175.26 176.45 3m81 s ARG 18 N 0.87 4.49 -0.18 4.30 0.52 -1.26 -5.06 118.95 122.64 3m81 s ARG 18 Ca 0.70 1.18 0.00 0.00 -0.52 0.00 0.00 55.73 57.09 3m81 s ARG 18 Cb -0.46 -2.87 0.01 0.00 0.52 0.00 0.00 34.95 32.15 3m81 s ARG 18 CO 0.34 0.34 -0.16 -0.47 0.02 0.00 0.00 175.30 175.37 3m81 s TYR 19 N -1.55 2.80 -0.00 -0.53 5.04 -1.26 -5.11 117.35 116.74 3m81 s TYR 19 Ca 0.47 -1.35 -0.20 0.00 -2.44 0.00 0.00 57.07 53.55 3m81 s TYR 19 Cb -0.18 -1.93 0.04 0.00 0.35 0.00 0.00 41.96 40.23 3m81 s TYR 19 CO 0.23 -0.67 0.44 -1.83 -1.34 0.00 0.00 175.55 172.38 3m81 s GLU 20 N 1.16 0.86 0.59 4.97 -1.05 -1.26 -4.82 118.70 119.14 3m81 s GLU 20 Ca 0.01 -0.15 -0.15 0.00 -0.15 0.00 0.00 54.97 54.54 3m81 s GLU 20 Cb -0.14 0.39 -0.04 0.00 -0.44 0.00 0.00 34.13 33.89 3m81 s GLU 20 CO -0.07 -0.27 1.03 -1.21 0.95 0.00 0.00 175.26 175.69 3m81 s GLU 21 N -1.73 3.48 0.49 -4.83 0.41 -1.26 -4.96 118.70 110.30 3m81 s GLU 21 Ca -0.10 1.05 0.21 0.00 -0.41 0.00 0.00 54.97 55.72 3m81 s GLU 21 Cb -0.02 -2.06 1.26 0.00 -1.78 0.00 0.00 34.13 31.52 3m81 s GLU 21 CO 0.03 -0.67 2.05 0.87 -0.49 0.00 0.00 175.26 177.05 3m81 h LYS 22 N 0.34 0.00 -0.74 1.61 1.57 -2.04 -1.83 116.57 115.47 3m81 h LYS 22 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3m81 h LYS 22 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3m81 h LYS 22 CO 0.59 0.14 0.00 -0.40 -0.57 0.00 0.00 179.45 179.21 3m81 n ASP 23 N -4.00 3.27 -0.04 0.86 5.75 -1.26 -4.55 116.55 116.58 3m81 n ASP 23 Ca -0.02 -2.42 -0.12 0.00 -0.01 0.00 0.00 54.79 52.22 3m81 n ASP 23 Cb 0.23 -0.56 -0.06 0.00 -1.03 0.00 0.00 41.12 39.70 3m81 n ASP 23 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3m81 h PHE 24 N 2.07 -1.23 -0.54 2.11 3.04 -1.71 0.69 116.94 121.38 3m81 h PHE 24 Ca 0.00 0.06 -0.02 0.00 3.98 0.00 0.00 57.97 61.98 3m81 h PHE 24 Cb 1.17 0.57 -0.02 0.00 2.56 0.00 0.00 35.95 40.23 3m81 h PHE 24 CO 0.53 -0.46 0.25 -0.44 -2.02 0.00 0.00 178.31 176.16 3m81 h ASP 25 N -0.44 0.73 -0.53 0.41 3.32 -1.86 -2.66 116.42 115.39 3m81 h ASP 25 Ca 0.09 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 3m81 h ASP 25 Cb 0.61 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3m81 h ASP 25 CO -0.46 0.67 0.16 -0.33 -1.72 0.00 0.00 179.24 177.56 3m81 h GLU 26 N 0.73 0.82 -0.58 3.56 3.07 -1.80 0.23 114.58 120.62 3m81 h GLU 26 Ca 0.18 -0.18 0.11 0.00 -0.50 0.00 0.00 59.36 58.98 3m81 h GLU 26 Cb 0.15 -0.12 -0.09 0.00 -0.84 0.00 0.00 28.75 27.85 3m81 h GLU 26 CO -0.02 0.76 0.07 0.35 -1.40 0.00 0.00 179.01 178.77 3m81 h PHE 27 N 0.72 0.09 -0.17 4.33 3.57 -0.64 0.16 116.94 125.00 3m81 h PHE 27 Ca 0.17 0.04 -0.21 0.00 3.53 0.00 0.00 57.97 61.49 3m81 h PHE 27 Cb 0.29 0.05 0.01 0.00 2.79 0.00 0.00 35.95 39.09 3m81 h PHE 27 CO 0.02 -0.08 -0.73 -1.49 -2.23 0.00 0.00 178.31 173.80 3m81 h TRP 28 N 0.19 1.06 -0.19 0.41 4.06 -1.05 -0.93 115.95 119.50 3m81 h TRP 28 Ca 0.30 -0.45 0.04 0.00 2.06 0.00 0.00 58.89 60.84 3m81 h TRP 28 Cb 0.46 -0.17 -0.04 0.00 -1.00 0.00 0.00 29.16 28.42 3m81 h TRP 28 CO -0.29 1.29 -0.06 0.93 -3.56 0.00 0.00 178.44 176.74 3m81 h GLU 29 N 0.53 -0.03 -0.54 0.49 5.08 -0.17 -0.08 114.58 119.86 3m81 h GLU 29 Ca -0.04 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3m81 h GLU 29 Cb 1.35 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.58 3m81 h GLU 29 CO 0.15 -0.02 0.34 0.93 -1.00 0.00 0.00 179.01 179.41 3m81 h GLU 30 N -0.03 0.73 -0.27 2.33 5.08 -0.69 0.55 114.58 122.28 3m81 h GLU 30 Ca 0.10 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3m81 h GLU 30 Cb 0.17 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3m81 h GLU 30 CO -0.21 0.52 0.17 1.15 -1.00 0.00 0.00 179.01 179.63 3m81 h THR 31 N 0.73 1.10 -0.24 1.13 2.02 -0.62 0.54 112.91 117.58 3m81 h THR 31 Ca 0.20 -0.23 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 3m81 h THR 31 Cb -0.03 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3m81 h THR 31 CO -0.04 0.10 -0.12 -0.07 0.37 0.00 0.00 175.52 175.76 3m81 h LEU 32 N 0.35 0.52 -0.43 2.58 3.38 -0.91 -2.47 115.31 118.32 3m81 h LEU 32 Ca 0.10 -0.41 0.07 0.00 0.09 0.00 0.00 57.88 57.73 3m81 h LEU 32 Cb 0.01 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.55 3m81 h LEU 32 CO -0.02 0.82 0.05 0.00 0.09 0.00 0.00 178.44 179.38 3m81 h ALA 33 N 0.72 0.45 -0.85 1.53 0.00 -0.62 0.13 119.26 120.61 3m81 h ALA 33 Ca 0.05 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3m81 h ALA 33 Cb 0.62 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3m81 h ALA 33 CO 0.04 -0.35 0.50 0.93 0.00 0.00 0.00 179.25 180.37 3m81 h GLU 34 N 0.17 1.17 0.00 0.00 5.08 -0.86 -2.37 114.58 117.77 3m81 h GLU 34 Ca 0.21 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 3m81 h GLU 34 Cb 0.28 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3m81 h GLU 34 CO -0.31 0.83 -0.45 0.77 -1.00 0.00 0.00 179.01 178.85 3m81 h SER 35 N 1.18 0.00 0.95 1.42 0.02 -0.89 -3.01 113.55 113.23 3m81 h SER 35 Ca 0.31 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 3m81 h SER 35 Cb -0.03 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 3m81 h SER 35 CO -0.06 0.45 -0.04 -0.33 -1.14 0.00 0.00 176.83 175.72 3m81 h GLU 36 N 0.00 0.00 0.00 3.45 5.08 -0.23 -2.64 114.58 120.24 3m81 h GLU 36 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3m81 h GLU 36 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3m81 h GLU 36 CO 0.06 0.04 0.00 1.63 -1.00 0.00 0.00 179.01 179.74 3m81 n LYS 37 N -3.17 0.01 -3.97 2.33 5.02 -1.12 -4.54 118.16 112.73 3m81 n LYS 37 Ca 0.00 0.29 -0.34 0.00 -2.02 0.00 0.00 58.31 56.25 3m81 n LYS 37 Cb 0.32 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.77 3m81 n LYS 37 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3m81 s PHE 38 N -2.99 3.48 0.21 2.13 0.40 -1.00 -5.08 117.98 115.13 3m81 s PHE 38 Ca 0.06 0.34 -0.30 0.00 -0.60 0.00 0.00 56.93 56.43 3m81 s PHE 38 Cb 0.08 -1.82 -0.08 0.00 0.51 0.00 0.00 43.02 41.70 3m81 s PHE 38 CO 0.21 0.63 1.08 -1.25 0.70 0.00 0.00 175.22 176.59 3m81 s PRO 39 N -1.69 4.64 0.30 0.24 0.04 -1.26 -4.93 135.00 132.33 3m81 s PRO 39 Ca 0.23 1.71 0.01 0.00 0.04 0.00 0.00 61.00 62.99 3m81 s PRO 39 Cb -0.12 -3.26 0.52 0.00 0.04 0.00 0.00 34.50 31.68 3m81 s PRO 39 CO 0.14 0.16 1.91 1.25 0.04 0.00 0.00 177.00 180.50 3m81 h LEU 40 N 4.67 0.92 -3.61 -3.56 5.85 -1.91 -3.43 115.31 114.24 3m81 h LEU 40 Ca -0.45 0.01 -0.56 0.00 0.84 0.00 0.00 57.88 57.72 3m81 h LEU 40 Cb 1.21 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 3m81 h LEU 40 CO 0.70 0.58 -0.99 -0.67 -0.34 0.00 0.00 178.44 177.73 3m81 n ASP 41 N -4.49 -4.05 -4.74 1.25 2.03 -1.26 -1.59 116.55 103.70 3m81 n ASP 41 Ca 0.14 -1.23 -0.41 0.00 0.52 0.00 0.00 54.79 53.81 3m81 n ASP 41 Cb 0.21 -2.12 -0.04 0.00 -0.72 0.00 0.00 41.12 38.45 3m81 n ASP 41 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3m81 s PRO 42 N -7.07 4.53 -0.12 -0.67 0.04 -1.26 -4.51 135.00 125.94 3m81 s PRO 42 Ca 0.45 1.80 -0.00 0.00 0.04 0.00 0.00 61.00 63.29 3m81 s PRO 42 Cb -0.23 -3.26 0.02 0.00 0.04 0.00 0.00 34.50 31.07 3m81 s PRO 42 CO 0.95 -0.03 -0.10 0.08 0.04 0.00 0.00 177.00 177.94 3m81 s VAL 43 N -0.06 1.20 -0.21 -0.36 1.01 0.12 -5.00 120.40 117.10 3m81 s VAL 43 Ca 0.52 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 3m81 s VAL 43 Cb -0.31 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 3m81 s VAL 43 CO 0.35 0.40 -0.04 -0.36 0.00 0.00 0.00 175.10 175.45 3m81 s PHE 44 N 1.64 2.96 -0.18 5.22 0.08 -1.26 -1.79 117.98 124.65 3m81 s PHE 44 Ca 0.05 -0.81 0.00 0.00 0.12 0.00 0.00 56.93 56.29 3m81 s PHE 44 Cb -0.13 -2.08 0.04 0.00 -0.57 0.00 0.00 43.02 40.28 3m81 s PHE 44 CO -0.09 -0.46 -0.09 -2.00 -0.10 0.00 0.00 175.22 172.48 3m81 s GLU 45 N 1.30 1.90 0.25 0.44 2.12 -0.26 -4.95 118.70 119.50 3m81 s GLU 45 Ca 0.04 -0.70 -0.30 0.00 0.36 0.00 0.00 54.97 54.36 3m81 s GLU 45 Cb -0.14 -2.24 -0.11 0.00 0.26 0.00 0.00 34.13 31.89 3m81 s GLU 45 CO -0.01 -0.40 1.57 0.50 -0.54 0.00 0.00 175.26 176.38 3m81 s ARG 46 N 1.48 4.17 -0.03 4.30 6.06 -1.26 -0.38 118.95 133.29 3m81 s ARG 46 Ca 0.00 2.49 -0.03 0.00 -2.50 0.00 0.00 55.73 55.69 3m81 s ARG 46 Cb -0.15 -3.07 -0.04 0.00 0.06 0.00 0.00 34.95 31.75 3m81 s ARG 46 CO -0.08 -0.60 0.14 -1.64 -2.50 0.00 0.00 175.30 170.62 3m81 s MET 47 N 0.00 3.30 0.11 5.12 -1.94 -0.64 -4.87 119.30 120.38 3m81 s MET 47 Ca 0.65 -0.34 -0.31 0.00 -1.71 0.00 0.00 55.69 53.98 3m81 s MET 47 Cb -0.46 -3.03 -0.08 0.00 2.01 0.00 0.00 34.83 33.27 3m81 s MET 47 CO 0.42 0.69 1.47 -1.21 -0.01 0.00 0.00 175.02 176.38 3m81 s GLU 48 N -1.66 4.27 0.06 2.03 2.02 -1.26 -4.77 118.70 119.39 3m81 s GLU 48 Ca 0.23 2.16 -0.11 0.00 0.02 0.00 0.00 54.97 57.28 3m81 s GLU 48 Cb -0.12 -3.31 0.01 0.00 0.10 0.00 0.00 34.13 30.80 3m81 s GLU 48 CO 0.14 -0.53 0.23 0.45 0.02 0.00 0.00 175.26 175.56 3m81 s SER 49 N 1.39 0.00 0.00 -0.19 0.15 -1.26 -5.01 113.70 108.77 3m81 s SER 49 Ca 0.67 -0.38 0.28 0.00 0.70 0.00 0.00 55.95 57.22 3m81 s SER 49 Cb -0.38 0.33 1.12 0.00 -1.71 0.00 0.00 66.02 65.37 3m81 s SER 49 CO 0.30 -0.62 1.81 1.41 1.20 0.00 0.00 173.24 177.34 3m81 n HIS 50 N 0.45 0.00 -1.75 3.44 8.25 -1.26 -4.91 115.22 119.44 3m81 n HIS 50 Ca -0.18 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.87 3m81 n HIS 50 Cb 0.60 -0.31 -0.02 0.00 1.12 0.00 0.00 29.99 31.38 3m81 n HIS 50 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3m81 n LEU 51 N -1.28 4.41 -0.02 2.41 4.77 -1.26 -4.92 117.00 121.10 3m81 n LEU 51 Ca 0.10 1.14 -0.02 0.00 -0.03 0.00 0.00 56.01 57.20 3m81 n LEU 51 Cb 0.31 -1.60 -0.05 0.00 -2.33 0.00 0.00 43.42 39.74 3m81 n LEU 51 CO 0.27 0.20 -0.67 0.29 -1.33 0.00 0.00 177.39 176.15 3m81 n LYS 52 N 2.36 2.50 0.00 3.23 4.76 -1.26 -4.67 118.16 125.09 3m81 n LYS 52 Ca 0.09 -0.01 0.12 0.00 -2.87 0.00 0.00 58.31 55.63 3m81 n LYS 52 Cb 0.37 -1.15 0.08 0.00 -1.84 0.00 0.00 35.03 32.48 3m81 n LYS 52 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3m81 n THR 53 N -2.13 0.00 -3.93 -0.18 -2.24 -1.26 -4.94 114.28 99.60 3m81 n THR 53 Ca -0.08 -0.32 -0.12 0.00 -2.27 0.00 0.00 64.05 61.26 3m81 n THR 53 Cb 0.60 1.24 -0.13 0.00 -2.10 0.00 0.00 70.33 69.93 3m81 n THR 53 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3m81 s VAL 54 N -2.31 0.09 -0.19 2.28 1.01 -1.26 -1.27 120.40 118.74 3m81 s VAL 54 Ca 0.23 -0.27 -0.12 0.00 0.00 0.00 0.00 61.98 61.81 3m81 s VAL 54 Cb 0.19 -0.12 -0.05 0.00 0.00 0.00 0.00 36.38 36.40 3m81 s VAL 54 CO 0.48 -0.12 0.23 -1.61 0.00 0.00 0.00 175.10 174.08 3m81 s GLU 55 N -0.40 4.21 -0.11 2.72 2.02 0.13 -4.80 118.70 122.47 3m81 s GLU 55 Ca -0.04 -0.04 -0.01 0.00 0.02 0.00 0.00 54.97 54.90 3m81 s GLU 55 Cb -0.03 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.73 3m81 s GLU 55 CO -0.00 0.22 -0.05 0.00 0.02 0.00 0.00 175.26 175.45 3m81 s ALA 56 N 0.55 3.02 -0.03 5.21 0.00 -1.26 -0.88 121.76 128.38 3m81 s ALA 56 Ca 0.13 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.31 3m81 s ALA 56 Cb -0.12 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 3m81 s ALA 56 CO 0.02 0.42 -0.22 0.71 0.00 0.00 0.00 175.76 176.69 3m81 s TYR 57 N -0.30 2.03 -0.05 0.00 1.51 0.22 -1.62 117.35 119.14 3m81 s TYR 57 Ca 0.05 -0.44 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 3m81 s TYR 57 Cb -0.13 -1.31 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 3m81 s TYR 57 CO 0.02 -0.07 1.12 0.34 -1.11 0.00 0.00 175.55 175.85 3m81 s ASP 58 N -0.42 7.15 0.11 2.29 -1.08 0.49 -1.23 116.67 123.98 3m81 s ASP 58 Ca 0.06 1.74 0.06 0.00 -0.52 0.00 0.00 52.55 53.88 3m81 s ASP 58 Cb -0.10 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 38.76 3m81 s ASP 58 CO 0.00 -0.49 -0.01 -0.69 0.52 0.00 0.00 175.17 174.50 3m81 s VAL 59 N 1.88 3.90 -0.12 1.11 1.01 -0.22 -1.10 120.40 126.86 3m81 s VAL 59 Ca 0.54 -1.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 3m81 s VAL 59 Cb -0.23 -2.88 0.04 0.00 0.00 0.00 0.00 36.38 33.32 3m81 s VAL 59 CO 0.22 0.07 0.29 -0.89 0.00 0.00 0.00 175.10 174.79 3m81 s THR 60 N -1.38 -0.02 0.21 3.92 2.01 -0.74 -2.23 115.64 117.40 3m81 s THR 60 Ca 0.26 0.09 -0.12 0.00 0.31 0.00 0.00 61.69 62.23 3m81 s THR 60 Cb -0.11 -0.43 -0.00 0.00 0.01 0.00 0.00 72.50 71.97 3m81 s THR 60 CO 0.18 0.04 0.41 0.72 -0.69 0.00 0.00 174.62 175.27 3m81 s PHE 61 N 0.93 0.35 -0.25 4.92 -0.71 -0.66 -0.70 117.98 121.86 3m81 s PHE 61 Ca -0.06 -0.70 -0.13 0.00 -1.04 0.00 0.00 56.93 54.99 3m81 s PHE 61 Cb -0.07 0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.80 3m81 s PHE 61 CO -0.06 -0.88 0.30 -1.12 -1.34 0.00 0.00 175.22 172.11 3m81 s SER 62 N -2.99 6.22 0.00 1.98 0.01 -0.62 0.08 113.70 118.38 3m81 s SER 62 Ca 0.20 0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.70 3m81 s SER 62 Cb 0.01 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 64.06 3m81 s SER 62 CO 0.05 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.23 3m81 n GLY 63 N 4.49 0.60 3.67 3.44 0.00 0.36 -4.81 105.19 112.95 3m81 n GLY 63 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3m81 n GLY 63 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3m81 s TYR 64 N 3.15 1.91 -1.49 1.61 5.04 -1.26 -3.24 117.35 123.07 3m81 s TYR 64 Ca 0.00 0.02 -0.08 0.00 -2.44 0.00 0.00 57.07 54.57 3m81 s TYR 64 Cb 0.00 -4.05 0.06 0.00 0.35 0.00 0.00 41.96 38.32 3m81 s TYR 64 CO 0.00 -4.44 0.67 0.54 -1.34 0.00 0.00 175.55 170.98 3m81 n ARG 65 N 6.69 -3.97 -0.95 4.97 1.74 -1.26 -1.11 116.66 122.77 3m81 n ARG 65 Ca 0.18 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.72 3m81 n ARG 65 Cb 0.41 -4.97 0.00 0.00 -1.02 0.00 0.00 32.46 26.88 3m81 n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3m81 n GLY 66 N -1.72 0.41 3.76 -0.13 0.00 -1.20 -4.98 105.19 101.33 3m81 n GLY 66 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3m81 n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3m81 s GLN 67 N -0.62 4.56 -0.37 1.61 -0.21 -0.27 -4.66 119.66 119.70 3m81 s GLN 67 Ca 0.00 1.90 -0.24 0.00 0.02 0.00 0.00 55.36 57.04 3m81 s GLN 67 Cb 0.00 -3.17 0.01 0.00 1.00 0.00 0.00 33.01 30.85 3m81 s GLN 67 CO 0.00 0.09 0.82 1.03 -2.12 0.00 0.00 175.29 175.11 3m81 s ARG 68 N -1.32 3.75 -0.15 2.91 1.81 -1.26 -0.49 118.95 124.20 3m81 s ARG 68 Ca 0.47 0.35 -0.06 0.00 -1.72 0.00 0.00 55.73 54.76 3m81 s ARG 68 Cb -0.34 -3.82 -0.04 0.00 -0.45 0.00 0.00 34.95 30.31 3m81 s ARG 68 CO 0.43 -0.90 0.05 0.42 -0.68 0.00 0.00 175.30 174.62 3m81 s ILE 69 N 3.22 4.68 0.55 1.52 -1.09 0.11 -4.84 121.20 125.35 3m81 s ILE 69 Ca 0.33 -0.08 -0.05 0.00 -2.23 0.00 0.00 60.65 58.62 3m81 s ILE 69 Cb -0.13 -3.07 -0.00 0.00 -1.58 0.00 0.00 42.46 37.68 3m81 s ILE 69 CO 0.18 0.51 0.85 -0.54 -1.23 0.00 0.00 174.94 174.71 3m81 s LYS 70 N -0.02 3.07 0.18 2.79 -0.14 -1.26 -1.65 119.74 122.72 3m81 s LYS 70 Ca 0.05 -0.01 -0.16 0.00 -1.36 0.00 0.00 55.97 54.49 3m81 s LYS 70 Cb -0.12 -2.32 0.06 0.00 -1.68 0.00 0.00 37.83 33.76 3m81 s LYS 70 CO 0.01 -0.55 0.77 0.41 -0.76 0.00 0.00 175.35 175.23 3m81 n GLY 71 N -2.46 0.85 3.34 -3.33 0.00 -0.95 -1.74 105.19 100.90 3m81 n GLY 71 Ca 0.03 -1.13 -0.27 0.00 0.00 0.00 0.00 46.02 44.65 3m81 n GLY 71 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3m81 s TRP 72 N -3.09 2.11 -0.13 1.61 0.23 -0.52 -1.06 118.94 118.09 3m81 s TRP 72 Ca 0.17 -0.39 0.02 0.00 -2.03 0.00 0.00 56.10 53.86 3m81 s TRP 72 Cb -0.03 -1.18 0.02 0.00 0.03 0.00 0.00 33.47 32.31 3m81 s TRP 72 CO 0.06 0.25 -0.17 -1.17 0.96 0.00 0.00 176.95 176.87 3m81 s LEU 73 N -1.81 1.86 -0.23 2.99 2.96 -0.37 -0.70 118.68 123.39 3m81 s LEU 73 Ca 0.11 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.49 3m81 s LEU 73 Cb -0.10 -1.25 0.02 0.00 0.50 0.00 0.00 46.19 45.36 3m81 s LEU 73 CO 0.04 0.02 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.24 3m81 s LEU 74 N 1.08 2.94 -0.27 -0.68 1.43 0.36 -0.61 118.68 122.93 3m81 s LEU 74 Ca -0.03 -0.77 -0.05 0.00 -1.03 0.00 0.00 54.13 52.25 3m81 s LEU 74 Cb -0.14 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.46 3m81 s LEU 74 CO -0.05 -0.09 0.02 -0.69 0.23 0.00 0.00 176.35 175.78 3m81 s VAL 75 N 1.33 3.54 0.37 -1.59 1.01 -0.06 -0.61 120.40 124.39 3m81 s VAL 75 Ca 0.02 -0.79 -0.26 0.00 0.00 0.00 0.00 61.98 60.94 3m81 s VAL 75 Cb -0.16 -2.80 -0.09 0.00 0.00 0.00 0.00 36.38 33.33 3m81 s VAL 75 CO -0.06 0.15 1.11 -2.16 0.00 0.00 0.00 175.10 174.14 3m81 s PRO 76 N 1.44 4.25 -1.02 2.72 0.04 -1.26 0.19 135.00 141.35 3m81 s PRO 76 Ca 0.02 1.73 -0.23 0.00 0.04 0.00 0.00 61.00 62.56 3m81 s PRO 76 Cb -0.17 -2.77 0.02 0.00 0.04 0.00 0.00 34.50 31.62 3m81 s PRO 76 CO -0.00 -0.12 1.64 0.15 0.04 0.00 0.00 177.00 178.70 3m81 s LYS 77 N -2.13 3.29 0.14 4.56 1.02 -0.40 -4.85 119.74 121.38 3m81 s LYS 77 Ca 0.54 -0.98 0.06 0.00 0.02 0.00 0.00 55.97 55.60 3m81 s LYS 77 Cb -0.28 -5.29 -0.04 0.00 -0.52 0.00 0.00 37.83 31.70 3m81 s LYS 77 CO 0.36 -2.62 -0.13 -0.51 -0.92 0.00 0.00 175.35 171.53 3m81 s LEU 78 N 6.59 2.46 0.21 3.17 1.43 -1.26 -5.00 118.68 126.28 3m81 s LEU 78 Ca 0.54 -0.90 -0.08 0.00 -1.03 0.00 0.00 54.13 52.67 3m81 s LEU 78 Cb -0.01 -0.52 0.15 0.00 0.03 0.00 0.00 46.19 45.83 3m81 s LEU 78 CO -0.05 -0.20 1.75 -0.33 0.23 0.00 0.00 176.35 177.75 3m81 h GLU 79 N 3.16 1.16 -6.28 1.70 3.07 -2.03 -3.45 114.58 111.91 3m81 h GLU 79 Ca -0.39 -0.25 -0.66 0.00 -0.50 0.00 0.00 59.36 57.56 3m81 h GLU 79 Cb 1.20 -0.17 0.08 0.00 -0.84 0.00 0.00 28.75 29.02 3m81 h GLU 79 CO 0.56 0.98 0.15 0.39 -1.40 0.00 0.00 179.01 179.69 3m81 n GLU 80 N -4.25 0.94 0.04 2.33 1.02 -1.26 -4.90 120.64 114.56 3m81 n GLU 80 Ca 0.06 0.33 -0.12 0.00 -0.02 0.00 0.00 57.16 57.41 3m81 n GLU 80 Cb 0.23 -1.76 -0.01 0.00 -0.02 0.00 0.00 31.44 29.87 3m81 n GLU 80 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3m81 h GLU 81 N 2.94 0.48 -5.27 3.49 3.07 -1.95 -3.43 114.58 113.90 3m81 h GLU 81 Ca -0.42 -0.43 -0.67 0.00 -0.50 0.00 0.00 59.36 57.34 3m81 h GLU 81 Cb 1.36 0.10 -0.33 0.00 -0.84 0.00 0.00 28.75 29.04 3m81 h GLU 81 CO 0.67 1.07 -0.87 0.15 -1.40 0.00 0.00 179.01 178.63 3m81 s LYS 82 N -3.51 2.95 0.16 2.33 -0.14 -1.26 -4.51 119.74 115.75 3m81 s LYS 82 Ca -0.07 -0.84 0.11 0.00 -1.36 0.00 0.00 55.97 53.81 3m81 s LYS 82 Cb 0.10 -2.24 -0.04 0.00 -1.68 0.00 0.00 37.83 33.97 3m81 s LYS 82 CO 0.86 0.16 -0.25 -0.51 -0.76 0.00 0.00 175.35 174.85 3m81 s LEU 83 N 0.38 2.38 0.79 3.17 1.43 0.65 -4.80 118.68 122.68 3m81 s LEU 83 Ca -0.18 -0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 52.00 3m81 s LEU 83 Cb -0.18 -1.16 0.06 0.00 0.03 0.00 0.00 46.19 44.95 3m81 s LEU 83 CO 0.08 0.14 1.09 -2.16 0.23 0.00 0.00 176.35 175.73 3m81 s PRO 84 N -2.36 2.18 -0.03 1.29 0.04 -1.26 -0.55 135.00 134.31 3m81 s PRO 84 Ca 0.17 0.68 -0.01 0.00 0.04 0.00 0.00 61.00 61.88 3m81 s PRO 84 Cb -0.09 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.55 3m81 s PRO 84 CO 0.08 -1.56 0.06 0.00 0.04 0.00 0.00 177.00 175.61 3m81 s VAL 86 N 0.75 3.81 -0.40 0.00 1.01 0.69 -0.33 120.40 125.93 3m81 s VAL 86 Ca -0.06 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.33 3m81 s VAL 86 Cb -0.09 -2.78 0.01 0.00 0.00 0.00 0.00 36.38 33.53 3m81 s VAL 86 CO -0.03 0.35 0.62 -0.69 0.00 0.00 0.00 175.10 175.36 3m81 s VAL 87 N 1.54 4.88 -0.22 2.92 1.01 0.11 -0.65 120.40 129.99 3m81 s VAL 87 Ca 0.06 0.31 -0.09 0.00 0.00 0.00 0.00 61.98 62.26 3m81 s VAL 87 Cb -0.15 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 3m81 s VAL 87 CO 0.00 -0.44 0.11 -1.58 0.00 0.00 0.00 175.10 173.19 3m81 s GLN 88 N 2.71 3.97 0.17 2.72 2.00 0.12 -1.04 119.66 130.31 3m81 s GLN 88 Ca 0.23 -0.33 0.04 0.00 -2.00 0.00 0.00 55.36 53.30 3m81 s GLN 88 Cb -0.14 -3.39 -0.04 0.00 0.80 0.00 0.00 33.01 30.24 3m81 s GLN 88 CO 0.17 0.09 0.19 0.71 -0.50 0.00 0.00 175.29 175.94 3m81 s TYR 89 N 0.92 3.24 0.01 1.67 2.02 0.00 -1.98 117.35 123.23 3m81 s TYR 89 Ca 0.06 0.01 0.03 0.00 -0.37 0.00 0.00 57.07 56.80 3m81 s TYR 89 Cb -0.13 -1.55 -0.03 0.00 -0.40 0.00 0.00 41.96 39.85 3m81 s TYR 89 CO 0.03 0.52 -0.07 0.42 -1.57 0.00 0.00 175.55 174.88 3m81 s ILE 90 N -1.78 3.65 0.95 2.71 1.01 -1.26 -4.44 121.20 122.04 3m81 s ILE 90 Ca 0.32 -0.80 -0.12 0.00 0.00 0.00 0.00 60.65 60.06 3m81 s ILE 90 Cb -0.10 -2.59 0.16 0.00 0.01 0.00 0.00 42.46 39.94 3m81 s ILE 90 CO 0.25 0.38 1.09 -0.83 0.00 0.00 0.00 174.94 175.82 3m81 s GLY 91 N -1.47 1.60 0.32 6.18 0.00 -1.26 -3.27 107.32 109.42 3m81 s GLY 91 Ca 0.17 -0.08 -0.28 0.00 0.00 0.00 0.00 44.72 44.53 3m81 s GLY 91 CO 0.08 0.45 1.25 2.98 0.00 0.00 0.00 173.10 177.87 3m81 n TYR 92 N -4.10 2.09 -1.21 1.90 9.36 -1.26 -1.48 117.16 122.46 3m81 n TYR 92 Ca 0.06 0.57 -0.07 0.00 3.32 0.00 0.00 57.90 61.78 3m81 n TYR 92 Cb 0.55 -2.39 -0.03 0.00 -0.63 0.00 0.00 39.34 36.84 3m81 n TYR 92 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3m81 n ASN 93 N 1.00 -5.22 -4.90 2.98 3.02 -1.26 -4.83 115.26 106.06 3m81 n ASN 93 Ca 0.06 0.18 -0.20 0.00 -0.03 0.00 0.00 54.58 54.59 3m81 n ASN 93 Cb 0.35 -3.36 -0.02 0.00 -0.61 0.00 0.00 39.78 36.14 3m81 n ASN 93 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3m81 s GLY 94 N -2.36 2.03 0.10 7.41 0.00 -0.55 -0.44 107.32 113.50 3m81 s GLY 94 Ca 0.00 -1.79 -0.01 0.00 0.00 0.00 0.00 44.72 42.92 3m81 s GLY 94 CO 0.00 -1.63 0.15 0.61 0.00 0.00 0.00 173.10 172.23 3m81 n GLY 95 N -1.59 2.72 0.17 0.20 0.00 -0.75 -1.71 105.19 104.23 3m81 n GLY 95 Ca 0.04 -1.40 0.13 0.00 0.00 0.00 0.00 46.02 44.79 3m81 n GLY 95 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3m81 h ARG 96 N 0.00 0.00 0.00 1.61 0.11 -1.82 -3.44 114.38 110.84 3m81 h ARG 96 Ca -0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.00 3m81 h ARG 96 Cb 0.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.41 3m81 h ARG 96 CO 0.10 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.58 3m81 n GLY 97 N -0.05 2.50 3.84 0.08 0.00 0.19 -4.65 105.19 107.09 3m81 n GLY 97 Ca 0.02 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 3m81 n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m81 s PHE 98 N 0.00 3.14 0.36 1.61 0.08 -1.26 -4.97 117.98 116.94 3m81 s PHE 98 Ca 0.00 -0.11 0.05 0.00 0.12 0.00 0.00 56.93 57.00 3m81 s PHE 98 Cb 0.00 -1.44 0.73 0.00 -0.57 0.00 0.00 43.02 41.74 3m81 s PHE 98 CO 0.00 0.50 1.97 -1.35 -0.10 0.00 0.00 175.22 176.23 3m81 h PRO 99 N 1.44 0.74 0.00 0.24 0.11 -2.00 -1.38 132.00 131.16 3m81 h PRO 99 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3m81 h PRO 99 Cb 1.24 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3m81 h PRO 99 CO 0.61 0.49 0.00 -2.39 -0.21 0.00 0.00 178.00 176.50 3m81 n HIS 100 N -4.47 0.00 1.83 0.65 1.44 -1.26 -2.46 115.22 110.95 3m81 n HIS 100 Ca 0.10 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.96 3m81 n HIS 100 Cb 0.20 -0.04 0.88 0.00 0.12 0.00 0.00 29.99 31.15 3m81 n HIS 100 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3m81 n ASP 101 N -1.04 0.00 -2.69 4.39 8.00 -0.52 -4.17 116.55 120.52 3m81 n ASP 101 Ca 0.15 -0.84 -0.07 0.00 0.71 0.00 0.00 54.79 54.75 3m81 n ASP 101 Cb 0.09 -0.04 0.04 0.00 -0.02 0.00 0.00 41.12 41.18 3m81 n ASP 101 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3m81 n TRP 102 N -1.04 1.47 1.05 1.24 7.02 -1.03 -4.91 117.44 121.24 3m81 n TRP 102 Ca 0.22 -2.44 0.14 0.00 -1.02 0.00 0.00 57.50 54.40 3m81 n TRP 102 Cb 0.12 -0.28 0.59 0.00 -2.42 0.00 0.00 31.31 29.32 3m81 n TRP 102 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3m81 n LEU 103 N -0.41 0.07 0.53 -0.99 4.77 -1.26 -4.33 117.00 115.39 3m81 n LEU 103 Ca 0.13 0.40 -0.21 0.00 -0.03 0.00 0.00 56.01 56.31 3m81 n LEU 103 Cb 0.81 -0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 41.37 3m81 n LEU 103 CO 0.18 0.02 0.54 0.15 -1.33 0.00 0.00 177.39 176.95 3m81 h PHE 104 N 0.02 -1.24 -0.41 -1.77 3.57 -1.94 -1.83 116.94 113.33 3m81 h PHE 104 Ca 0.00 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.39 3m81 h PHE 104 Cb 0.47 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 3m81 h PHE 104 CO 0.00 -0.77 -0.06 -1.49 -2.23 0.00 0.00 178.31 173.76 3m81 h TRP 105 N -1.34 0.84 -0.97 0.41 4.06 -1.88 -1.79 115.95 115.29 3m81 h TRP 105 Ca -0.14 -0.17 0.11 0.00 2.06 0.00 0.00 58.89 60.76 3m81 h TRP 105 Cb 1.03 -0.21 -0.08 0.00 -1.00 0.00 0.00 29.16 28.89 3m81 h TRP 105 CO 0.00 0.86 0.60 -1.35 -3.56 0.00 0.00 178.44 175.00 3m81 h PRO 106 N 0.58 0.93 0.00 0.49 0.11 -1.53 -0.26 132.00 132.33 3m81 h PRO 106 Ca 0.11 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 3m81 h PRO 106 Cb 0.57 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.46 3m81 h PRO 106 CO 0.03 0.62 -0.13 0.77 -0.21 0.00 0.00 178.00 179.08 3m81 h SER 107 N 0.96 0.00 -0.29 -2.05 0.02 -0.55 0.28 113.55 111.93 3m81 h SER 107 Ca 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 3m81 h SER 107 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 3m81 h SER 107 CO -0.26 0.13 0.00 0.23 -1.14 0.00 0.00 176.83 175.79 3m81 n MET 108 N -4.00 1.67 -0.82 3.45 2.81 -0.37 -4.91 117.12 114.95 3m81 n MET 108 Ca -0.02 -1.05 0.00 0.00 -1.81 0.00 0.00 57.70 54.82 3m81 n MET 108 Cb 0.21 -1.23 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 3m81 n MET 108 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3m81 n GLY 109 N 0.97 0.50 3.60 3.03 0.00 1.00 -5.06 105.19 109.23 3m81 n GLY 109 Ca 0.10 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 3m81 n GLY 109 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m81 s TYR 110 N -2.00 3.00 0.43 1.61 1.51 -0.25 -4.43 117.35 117.22 3m81 s TYR 110 Ca 0.00 0.03 -0.24 0.00 -1.01 0.00 0.00 57.07 55.85 3m81 s TYR 110 Cb 0.00 -1.76 -0.08 0.00 -0.11 0.00 0.00 41.96 40.01 3m81 s TYR 110 CO 0.00 0.33 1.22 0.42 -1.11 0.00 0.00 175.55 176.40 3m81 s ILE 111 N -0.70 2.91 -0.12 2.71 1.01 0.26 -2.34 121.20 124.93 3m81 s ILE 111 Ca 0.11 0.75 0.01 0.00 0.00 0.00 0.00 60.65 61.51 3m81 s ILE 111 Cb -0.11 -3.41 0.02 0.00 0.01 0.00 0.00 42.46 38.97 3m81 s ILE 111 CO 0.02 0.05 -0.12 0.00 0.00 0.00 0.00 174.94 174.89 3m81 s PHE 113 N 1.37 3.25 -0.35 0.00 2.19 0.18 -0.49 117.98 124.12 3m81 s PHE 113 Ca 0.01 -1.06 -0.15 0.00 0.33 0.00 0.00 56.93 56.06 3m81 s PHE 113 Cb -0.13 -2.41 -0.01 0.00 -1.31 0.00 0.00 43.02 39.16 3m81 s PHE 113 CO -0.07 -0.66 0.34 0.08 1.83 0.00 0.00 175.22 176.73 3m81 s VAL 114 N 1.52 5.20 -0.26 3.12 1.01 0.12 0.13 120.40 131.24 3m81 s VAL 114 Ca 0.01 -0.10 -0.24 0.00 0.00 0.00 0.00 61.98 61.65 3m81 s VAL 114 Cb -0.19 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.36 3m81 s VAL 114 CO 0.06 -0.12 0.82 -0.32 0.00 0.00 0.00 175.10 175.54 3m81 s MET 115 N 1.93 4.11 0.60 2.72 1.75 -0.84 -1.43 119.30 128.14 3m81 s MET 115 Ca 0.10 0.83 -0.19 0.00 -1.25 0.00 0.00 55.69 55.18 3m81 s MET 115 Cb -0.17 -3.67 -0.03 0.00 2.84 0.00 0.00 34.83 33.80 3m81 s MET 115 CO 0.11 -0.58 1.24 0.34 -0.65 0.00 0.00 175.02 175.49 3m81 s ASP 116 N 1.44 5.08 -0.30 1.11 2.15 -0.71 -4.45 116.67 121.00 3m81 s ASP 116 Ca 0.34 2.48 -0.09 0.00 0.43 0.00 0.00 52.55 55.71 3m81 s ASP 116 Cb -0.15 -2.61 -0.01 0.00 -0.30 0.00 0.00 42.92 39.85 3m81 s ASP 116 CO 0.09 -1.67 0.13 -0.89 -0.17 0.00 0.00 175.17 172.66 3m81 s THR 117 N -1.51 4.49 -0.20 1.71 2.01 -1.26 -4.81 115.64 116.06 3m81 s THR 117 Ca 0.78 -0.39 -0.38 0.00 0.31 0.00 0.00 61.69 62.01 3m81 s THR 117 Cb -0.33 -3.25 -0.14 0.00 0.01 0.00 0.00 72.50 68.79 3m81 s THR 117 CO 0.36 0.12 1.80 -2.11 -0.69 0.00 0.00 174.62 174.10 3m81 n ARG 118 N 4.96 1.58 -0.27 4.92 1.85 -1.26 -2.29 116.66 126.15 3m81 n ARG 118 Ca -0.14 0.58 0.00 0.00 -1.00 0.00 0.00 57.85 57.29 3m81 n ARG 118 Cb 0.49 -2.33 0.00 0.00 -1.05 0.00 0.00 32.46 29.57 3m81 n ARG 118 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3m81 n GLY 119 N 4.29 1.83 0.00 2.89 0.00 0.13 -4.53 105.19 109.80 3m81 n GLY 119 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3m81 n GLY 119 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3m81 n GLN 120 N -2.00 0.00 -2.18 1.61 6.02 -0.97 -4.88 117.38 114.97 3m81 n GLN 120 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.83 3m81 n GLN 120 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 3m81 n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3m81 n GLY 121 N 5.00 0.02 0.00 1.08 0.00 -0.69 -4.74 105.19 105.86 3m81 n GLY 121 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3m81 n GLY 121 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3m81 n SER 122 N -1.64 0.35 -0.05 1.61 7.64 -1.18 -1.36 113.62 118.99 3m81 n SER 122 Ca -0.19 -1.11 -0.05 0.00 1.01 0.00 0.00 58.87 58.54 3m81 n SER 122 Cb 0.62 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.80 3m81 n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3m81 n GLY 123 N -0.05 -0.62 0.00 0.23 0.00 0.41 -4.90 105.19 100.27 3m81 n GLY 123 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3m81 n GLY 123 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3m81 n TRP 124 N -3.72 0.00 -3.71 1.61 4.27 -1.00 -5.04 117.44 109.85 3m81 n TRP 124 Ca -0.07 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.42 3m81 n TRP 124 Cb 0.27 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.11 3m81 n TRP 124 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 3m81 s LEU 125 N -1.40 0.05 0.56 5.67 2.96 -1.26 -5.03 118.68 120.25 3m81 s LEU 125 Ca 0.00 0.89 -0.21 0.00 -0.22 0.00 0.00 54.13 54.59 3m81 s LEU 125 Cb 0.00 1.41 -0.04 0.00 0.50 0.00 0.00 46.19 48.06 3m81 s LEU 125 CO 0.00 -0.18 1.35 2.29 -1.32 0.00 0.00 176.35 178.50 3m81 n LYS 126 N 3.75 1.61 -4.32 1.98 2.85 -1.26 -1.81 118.16 120.96 3m81 n LYS 126 Ca -0.20 0.60 -0.17 0.00 -1.05 0.00 0.00 58.31 57.49 3m81 n LYS 126 Cb 0.56 -2.58 -0.10 0.00 -0.65 0.00 0.00 35.03 32.26 3m81 n LYS 126 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3m81 s GLY 127 N -0.99 1.44 0.00 2.58 0.00 -0.46 -0.64 107.32 109.25 3m81 s GLY 127 Ca 0.74 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.76 3m81 s GLY 127 CO 0.48 -1.67 0.65 1.22 0.00 0.00 0.00 173.10 173.78 3m81 n ASP 128 N -0.37 0.86 -4.37 1.64 8.00 -1.26 -4.89 116.55 116.16 3m81 n ASP 128 Ca -0.07 -1.39 -0.33 0.00 0.71 0.00 0.00 54.79 53.71 3m81 n ASP 128 Cb 0.63 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.59 3m81 n ASP 128 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3m81 s THR 129 N -0.39 3.13 0.68 -3.53 2.01 -1.26 -4.89 115.64 111.39 3m81 s THR 129 Ca 0.00 -0.62 -0.09 0.00 0.31 0.00 0.00 61.69 61.28 3m81 s THR 129 Cb 0.00 -2.34 0.03 0.00 0.01 0.00 0.00 72.50 70.20 3m81 s THR 129 CO 0.00 0.51 1.04 -2.16 -0.69 0.00 0.00 174.62 173.32 3m81 s PRO 130 N 0.52 2.69 0.36 4.92 0.04 -1.26 0.19 135.00 142.46 3m81 s PRO 130 Ca -0.08 0.20 -0.02 0.00 0.04 0.00 0.00 61.00 61.14 3m81 s PRO 130 Cb -0.15 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 3m81 s PRO 130 CO 0.04 -1.03 0.60 0.34 0.04 0.00 0.00 177.00 176.99 3m81 s ASP 131 N -4.39 6.32 -0.29 6.66 2.15 -1.26 -3.88 116.67 121.98 3m81 s ASP 131 Ca 0.58 0.61 -0.04 0.00 0.43 0.00 0.00 52.55 54.13 3m81 s ASP 131 Cb -0.11 -2.10 0.10 0.00 -0.30 0.00 0.00 42.92 40.51 3m81 s ASP 131 CO 0.49 -0.34 0.13 -0.31 -0.17 0.00 0.00 175.17 174.97 3m81 s TYR 132 N -2.36 0.41 0.66 -5.34 1.51 -1.26 -4.94 117.35 106.03 3m81 s TYR 132 Ca 0.42 -0.92 -0.12 0.00 -1.01 0.00 0.00 57.07 55.45 3m81 s TYR 132 Cb -0.10 -0.95 -0.01 0.00 -0.11 0.00 0.00 41.96 40.80 3m81 s TYR 132 CO 0.37 -0.82 1.06 -1.25 -1.11 0.00 0.00 175.55 173.79 3m81 s PRO 133 N 2.07 3.09 -1.08 -1.71 0.04 -1.26 -4.93 135.00 131.21 3m81 s PRO 133 Ca 0.09 1.01 -0.21 0.00 0.04 0.00 0.00 61.00 61.92 3m81 s PRO 133 Cb -0.16 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 3m81 s PRO 133 CO -0.35 -0.98 1.93 0.39 0.04 0.00 0.00 177.00 178.02 3m81 n GLU 134 N -2.80 1.88 0.00 4.56 -0.58 -1.26 -4.86 120.64 117.58 3m81 n GLU 134 Ca 0.08 -2.38 0.00 0.00 -0.42 0.00 0.00 57.16 54.44 3m81 n GLU 134 Cb 0.53 -3.39 0.00 0.00 -0.57 0.00 0.00 31.44 28.01 3m81 n GLU 134 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3m81 n GLY 135 N 5.18 1.04 3.73 0.62 0.00 -1.26 -4.83 105.19 109.67 3m81 n GLY 135 Ca 0.48 0.39 -0.40 0.00 0.00 0.00 0.00 46.02 46.48 3m81 n GLY 135 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3m81 s PRO 136 N 0.00 4.46 -0.77 1.61 0.04 -1.26 -5.00 135.00 134.08 3m81 s PRO 136 Ca 0.00 1.00 -0.19 0.00 0.04 0.00 0.00 61.00 61.85 3m81 s PRO 136 Cb 0.00 -3.40 0.12 0.00 0.04 0.00 0.00 34.50 31.26 3m81 s PRO 136 CO 0.00 0.19 0.94 0.08 0.04 0.00 0.00 177.00 178.25 3m81 s VAL 137 N 0.30 4.77 0.97 -0.36 1.01 -1.26 -5.01 120.40 120.81 3m81 s VAL 137 Ca 0.38 -1.28 -0.14 0.00 0.00 0.00 0.00 61.98 60.95 3m81 s VAL 137 Cb -0.19 -4.65 0.02 0.00 0.00 0.00 0.00 36.38 31.56 3m81 s VAL 137 CO 0.21 -1.35 0.25 0.47 0.00 0.00 0.00 175.10 174.68 3m81 n ASP 138 N 6.44 -2.50 -4.55 3.32 8.00 -1.26 -4.89 116.55 121.10 3m81 n ASP 138 Ca 0.08 0.28 -0.53 0.00 0.71 0.00 0.00 54.79 55.33 3m81 n ASP 138 Cb 0.46 -1.14 -0.06 0.00 -0.02 0.00 0.00 41.12 40.36 3m81 n ASP 138 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3m81 n PRO 139 N -1.29 0.75 -3.79 -0.24 -0.02 -1.26 -4.80 135.00 124.35 3m81 n PRO 139 Ca 0.05 0.27 -0.10 0.00 -2.02 0.00 0.00 63.50 61.71 3m81 n PRO 139 Cb 0.54 -1.81 -0.06 0.00 -0.02 0.00 0.00 33.50 32.16 3m81 n PRO 139 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3m81 s GLN 140 N 0.08 1.09 0.23 -0.52 -2.07 -1.26 -4.86 119.66 112.36 3m81 s GLN 140 Ca 0.83 -0.92 -0.27 0.00 -1.82 0.00 0.00 55.36 53.18 3m81 s GLN 140 Cb -1.03 0.42 -0.09 0.00 -1.09 0.00 0.00 33.01 31.23 3m81 s GLN 140 CO 0.51 -0.41 0.87 -0.47 -1.32 0.00 0.00 175.29 174.48 3m81 s TYR 141 N -3.87 3.87 -0.13 9.60 5.04 -1.26 -4.98 117.35 125.62 3m81 s TYR 141 Ca 0.08 1.76 -0.41 0.00 -2.44 0.00 0.00 57.07 56.06 3m81 s TYR 141 Cb 0.03 -2.87 -0.19 0.00 0.35 0.00 0.00 41.96 39.27 3m81 s TYR 141 CO -0.07 0.41 1.31 -2.30 -1.34 0.00 0.00 175.55 173.57 3m81 n PRO 142 N 1.26 0.33 0.00 4.97 -0.02 -1.26 -4.65 135.00 135.63 3m81 n PRO 142 Ca -0.02 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3m81 n PRO 142 Cb 0.48 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 3m81 n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m81 n GLY 143 N 2.55 0.42 0.01 -1.23 0.00 -1.26 -4.87 105.19 100.80 3m81 n GLY 143 Ca 0.23 -2.26 0.07 0.00 0.00 0.00 0.00 46.02 44.06 3m81 n GLY 143 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3m81 n PHE 144 N 0.96 0.00 0.24 1.61 3.72 -1.26 -4.46 117.46 118.27 3m81 n PHE 144 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 3m81 n PHE 144 Cb 0.00 -0.30 0.61 0.00 -0.94 0.00 0.00 39.48 38.85 3m81 n PHE 144 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3m81 h MET 145 N 0.00 0.00 -0.13 -1.08 2.86 -1.89 -2.85 114.93 111.84 3m81 h MET 145 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3m81 h MET 145 Cb 0.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3m81 h MET 145 CO 0.00 0.18 0.00 0.25 1.06 0.00 0.00 176.91 178.40 3m81 n THR 146 N -3.56 0.53 -1.85 2.22 -2.24 -1.26 -4.87 114.28 103.25 3m81 n THR 146 Ca -0.01 -0.77 -0.41 0.00 -2.27 0.00 0.00 64.05 60.59 3m81 n THR 146 Cb 0.32 0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 3m81 n THR 146 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3m81 s ARG 147 N -0.84 2.98 -0.01 -0.78 3.52 -1.08 -2.38 118.95 120.36 3m81 s ARG 147 Ca 0.13 1.42 0.00 0.00 -0.13 0.00 0.00 55.73 57.15 3m81 s ARG 147 Cb 0.08 -4.33 0.00 0.00 -1.56 0.00 0.00 34.95 29.14 3m81 s ARG 147 CO 0.10 -2.28 0.00 0.41 -0.81 0.00 0.00 175.30 172.72 3m81 n GLY 148 N 5.64 0.41 0.12 8.12 0.00 -1.26 -1.67 105.19 116.55 3m81 n GLY 148 Ca 0.26 -0.89 0.11 0.00 0.00 0.00 0.00 46.02 45.50 3m81 n GLY 148 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3m81 n ILE 149 N -3.00 0.89 1.97 -0.61 3.06 -1.00 -2.65 119.36 118.02 3m81 n ILE 149 Ca -0.00 0.31 0.15 0.00 -2.50 0.00 0.00 62.75 60.71 3m81 n ILE 149 Cb 0.00 -1.24 0.88 0.00 0.54 0.00 0.00 39.64 39.83 3m81 n ILE 149 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3m81 n LEU 150 N -2.18 0.10 -3.65 9.51 4.77 -1.26 -4.61 117.00 119.68 3m81 n LEU 150 Ca 0.02 -0.03 -0.05 0.00 -0.03 0.00 0.00 56.01 55.91 3m81 n LEU 150 Cb 0.19 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 3m81 n LEU 150 CO 0.17 0.02 0.26 -0.62 -1.33 0.00 0.00 177.39 175.89 3m81 s ASP 151 N -1.96 -0.92 0.51 -1.43 2.15 -1.08 -4.96 116.67 108.97 3m81 s ASP 151 Ca 0.45 1.44 0.22 0.00 0.43 0.00 0.00 52.55 55.09 3m81 s ASP 151 Cb 0.21 1.67 1.32 0.00 -0.30 0.00 0.00 42.92 45.82 3m81 s ASP 151 CO 0.35 -0.23 2.01 1.55 -0.17 0.00 0.00 175.17 178.69 3m81 h PRO 152 N 7.49 0.07 0.00 4.34 0.13 -1.84 -1.06 132.00 141.12 3m81 h PRO 152 Ca -0.25 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 3m81 h PRO 152 Cb 1.17 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3m81 h PRO 152 CO 0.15 0.04 -0.15 0.00 -0.23 0.00 0.00 178.00 177.81 3m81 h ARG 153 N 0.07 0.00 -0.01 0.86 3.08 -1.96 -2.88 114.38 113.54 3m81 h ARG 153 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3m81 h ARG 153 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3m81 h ARG 153 CO -0.02 0.15 -0.63 0.25 -1.07 0.00 0.00 179.97 178.66 3m81 n THR 154 N -3.53 0.00 -2.10 2.04 -2.24 -0.49 -5.00 114.28 102.97 3m81 n THR 154 Ca -0.01 -0.19 -0.41 0.00 -2.27 0.00 0.00 64.05 61.17 3m81 n THR 154 Cb 0.30 1.15 -0.02 0.00 -2.10 0.00 0.00 70.33 69.66 3m81 n THR 154 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3m81 s TYR 155 N -2.52 3.09 0.28 4.78 5.04 -0.71 -4.38 117.35 122.92 3m81 s TYR 155 Ca 0.13 1.21 0.02 0.00 -2.44 0.00 0.00 57.07 55.99 3m81 s TYR 155 Cb 0.16 -3.72 0.62 0.00 0.35 0.00 0.00 41.96 39.37 3m81 s TYR 155 CO 0.63 -2.20 1.76 -0.92 -1.34 0.00 0.00 175.55 173.48 3m81 h TYR 156 N 4.55 0.84 0.00 4.97 3.20 -1.60 -1.72 116.97 127.20 3m81 h TYR 156 Ca -0.47 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.44 3m81 h TYR 156 Cb 1.22 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.25 3m81 h TYR 156 CO 0.59 0.16 0.00 1.88 -1.64 0.00 0.00 178.16 179.16 3m81 h TYR 157 N 0.63 0.00 -0.75 -3.82 0.05 -1.89 -2.06 116.97 109.12 3m81 h TYR 157 Ca 0.51 0.00 0.06 0.00 0.05 0.00 0.00 58.73 59.35 3m81 h TYR 157 Cb 0.78 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.47 3m81 h TYR 157 CO -0.07 0.00 0.45 -0.09 -1.05 0.00 0.00 178.16 177.39 3m81 h ARG 158 N 0.00 0.80 -0.10 4.88 2.43 -1.61 0.27 114.38 121.04 3m81 h ARG 158 Ca 0.00 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 3m81 h ARG 158 Cb 0.67 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3m81 h ARG 158 CO 0.00 0.53 -0.30 0.00 -1.51 0.00 0.00 179.97 178.68 3m81 h ARG 159 N 0.82 0.39 -0.44 0.20 3.08 -1.47 -2.36 114.38 114.60 3m81 h ARG 159 Ca 0.33 -0.28 0.03 0.00 0.07 0.00 0.00 59.98 60.13 3m81 h ARG 159 Cb 0.17 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 3m81 h ARG 159 CO -0.17 0.90 0.24 0.28 -1.07 0.00 0.00 179.97 180.14 3m81 h VAL 160 N -0.05 1.00 -0.60 2.04 2.07 -1.38 0.15 116.25 119.48 3m81 h VAL 160 Ca -0.01 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 3m81 h VAL 160 Cb 0.92 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3m81 h VAL 160 CO 0.07 0.09 0.05 -0.26 0.02 0.00 0.00 177.57 177.53 3m81 h PHE 161 N 0.47 1.09 -0.27 1.57 0.04 -0.95 -0.54 116.94 118.36 3m81 h PHE 161 Ca 0.18 -0.16 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 3m81 h PHE 161 Cb 0.06 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 3m81 h PHE 161 CO -0.09 0.94 0.02 1.15 -0.60 0.00 0.00 178.31 179.74 3m81 h THR 162 N 0.94 1.24 -0.88 -1.55 2.02 -1.11 -0.50 112.91 113.08 3m81 h THR 162 Ca 0.18 -0.85 0.15 0.00 0.77 0.00 0.00 66.41 66.67 3m81 h THR 162 Cb 0.48 1.28 -0.10 0.00 -1.74 0.00 0.00 68.15 68.07 3m81 h THR 162 CO 0.02 0.27 0.46 0.44 0.37 0.00 0.00 175.52 177.08 3m81 h ASP 163 N 0.25 0.57 -0.29 4.18 3.32 -0.56 -2.17 116.42 121.72 3m81 h ASP 163 Ca 0.08 0.09 -0.13 0.00 0.02 0.00 0.00 57.03 57.09 3m81 h ASP 163 Cb 0.37 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3m81 h ASP 163 CO 0.01 0.23 -0.31 0.00 -1.72 0.00 0.00 179.24 177.45 3m81 h ALA 164 N 1.58 0.76 -0.48 3.45 0.00 -0.26 0.80 119.26 125.12 3m81 h ALA 164 Ca 0.48 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3m81 h ALA 164 Cb 0.70 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3m81 h ALA 164 CO -0.37 0.65 -0.11 0.28 0.00 0.00 0.00 179.25 179.70 3m81 h VAL 165 N 0.68 1.26 0.00 0.00 2.07 -0.64 -2.92 116.25 116.71 3m81 h VAL 165 Ca 0.08 -1.22 -0.09 0.00 0.82 0.00 0.00 66.70 66.28 3m81 h VAL 165 Cb 0.85 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3m81 h VAL 165 CO 0.07 0.42 -0.44 0.03 0.02 0.00 0.00 177.57 177.67 3m81 h ARG 166 N 0.79 0.00 -0.96 1.57 2.47 -0.98 -2.72 114.38 114.55 3m81 h ARG 166 Ca 0.13 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.87 3m81 h ARG 166 Cb 0.63 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.90 3m81 h ARG 166 CO 0.04 0.44 0.63 0.00 0.56 0.00 0.00 179.97 181.65 3m81 h ALA 167 N 1.56 1.24 -0.61 0.04 0.00 -0.65 0.40 119.26 121.23 3m81 h ALA 167 Ca -0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3m81 h ALA 167 Cb 0.83 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3m81 h ALA 167 CO 0.06 0.57 0.06 0.28 0.00 0.00 0.00 179.25 180.22 3m81 h VAL 168 N 1.27 1.26 -0.55 0.00 2.07 -1.47 0.71 116.25 119.55 3m81 h VAL 168 Ca 0.36 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 3m81 h VAL 168 Cb -0.09 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3m81 h VAL 168 CO -0.09 0.39 0.20 -0.33 0.02 0.00 0.00 177.57 177.76 3m81 h GLU 169 N 0.95 0.83 -0.16 1.57 4.39 -1.39 0.32 114.58 121.10 3m81 h GLU 169 Ca 0.18 -0.16 0.02 0.00 0.34 0.00 0.00 59.36 59.74 3m81 h GLU 169 Cb 0.46 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 3m81 h GLU 169 CO 0.02 0.74 0.04 0.00 -1.16 0.00 0.00 179.01 178.64 3m81 h ALA 170 N 1.06 0.16 -0.27 3.43 0.00 -0.38 -1.45 119.26 121.80 3m81 h ALA 170 Ca 0.18 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.15 3m81 h ALA 170 Cb 0.23 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3m81 h ALA 170 CO -0.01 -0.40 0.05 0.00 0.00 0.00 0.00 179.25 178.88 3m81 h ALA 171 N 1.11 0.28 -0.73 0.00 0.00 -0.67 -2.12 119.26 117.13 3m81 h ALA 171 Ca 0.07 0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.20 3m81 h ALA 171 Cb 0.06 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3m81 h ALA 171 CO -0.09 -0.37 0.50 0.00 0.00 0.00 0.00 179.25 179.29 3m81 h ALA 172 N 1.20 2.26 0.00 0.00 0.00 -0.51 -1.49 119.26 120.72 3m81 h ALA 172 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3m81 h ALA 172 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3m81 h ALA 172 CO -0.17 -0.46 0.00 0.66 0.00 0.00 0.00 179.25 179.27 3m81 h SER 173 N 0.29 0.00 -3.42 0.00 4.64 -0.56 -3.44 113.55 111.06 3m81 h SER 173 Ca 0.36 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.16 3m81 h SER 173 Cb 0.98 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.09 3m81 h SER 173 CO -0.09 0.00 0.58 0.12 -0.87 0.00 0.00 176.83 176.57 3m81 s PHE 174 N -3.38 3.38 0.15 4.77 5.36 -0.56 -4.94 117.98 122.75 3m81 s PHE 174 Ca 0.05 1.35 -0.14 0.00 -0.96 0.00 0.00 56.93 57.23 3m81 s PHE 174 Cb 0.09 -3.48 0.03 0.00 -0.34 0.00 0.00 43.02 39.33 3m81 s PHE 174 CO 0.50 -1.40 1.68 -1.35 -1.46 0.00 0.00 175.22 173.19 3m81 h PRO 175 N 5.46 0.76 0.00 10.12 0.11 -1.89 -2.49 132.00 144.07 3m81 h PRO 175 Ca -0.44 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.51 3m81 h PRO 175 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3m81 h PRO 175 CO 0.76 0.71 0.00 1.04 -0.21 0.00 0.00 178.00 180.30 3m81 n GLN 176 N -4.52 0.50 -2.82 1.05 6.02 -1.26 -4.78 117.38 111.57 3m81 n GLN 176 Ca 0.01 0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.61 3m81 n GLN 176 Cb 0.18 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.91 3m81 n GLN 176 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3m81 s VAL 177 N -2.08 4.86 -0.49 5.09 1.01 -0.94 -0.25 120.40 127.59 3m81 s VAL 177 Ca 0.25 1.78 -0.29 0.00 0.00 0.00 0.00 61.98 63.72 3m81 s VAL 177 Cb 0.12 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 32.33 3m81 s VAL 177 CO 0.21 0.04 1.14 -0.62 0.00 0.00 0.00 175.10 175.86 3m81 s ASP 178 N 1.10 6.60 0.50 3.32 -1.08 0.29 -4.81 116.67 122.59 3m81 s ASP 178 Ca 0.42 0.40 0.34 0.00 -0.52 0.00 0.00 52.55 53.19 3m81 s ASP 178 Cb -0.17 -2.55 1.71 0.00 -1.46 0.00 0.00 42.92 40.45 3m81 s ASP 178 CO 0.15 -1.28 2.02 1.56 0.52 0.00 0.00 175.17 178.14 3m81 h GLN 179 N 9.27 0.00 -0.00 4.34 4.20 -1.92 -1.04 115.11 129.96 3m81 h GLN 179 Ca -0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.48 3m81 h GLN 179 Cb 1.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.84 3m81 h GLN 179 CO 1.13 0.00 -0.11 0.39 -0.67 0.00 0.00 178.83 179.58 3m81 n GLU 180 N -2.75 0.03 -2.66 1.46 -0.58 -1.26 -4.19 120.64 110.69 3m81 n GLU 180 Ca -0.01 -0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.56 3m81 n GLU 180 Cb 0.12 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.51 3m81 n GLU 180 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3m81 n ARG 181 N -1.48 1.93 -3.51 3.49 1.74 -0.40 -4.91 116.66 113.52 3m81 n ARG 181 Ca 0.07 -3.72 -0.38 0.00 -0.77 0.00 0.00 57.85 53.05 3m81 n ARG 181 Cb 0.34 -1.64 -0.09 0.00 -1.02 0.00 0.00 32.46 30.05 3m81 n ARG 181 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3m81 s ILE 182 N -3.87 5.26 -0.06 0.55 1.01 -1.25 -0.85 121.20 121.99 3m81 s ILE 182 Ca 0.36 0.41 0.03 0.00 0.00 0.00 0.00 60.65 61.44 3m81 s ILE 182 Cb 0.42 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 3m81 s ILE 182 CO -0.05 0.25 -0.12 -0.69 0.00 0.00 0.00 174.94 174.33 3m81 s VAL 183 N 1.55 3.27 -0.13 2.92 1.01 0.55 -0.78 120.40 128.79 3m81 s VAL 183 Ca 0.12 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 3m81 s VAL 183 Cb -0.15 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 3m81 s VAL 183 CO 0.08 0.59 -0.02 0.27 0.00 0.00 0.00 175.10 176.03 3m81 s ILE 184 N -0.70 4.11 -0.01 2.22 -4.36 -0.17 0.10 121.20 122.38 3m81 s ILE 184 Ca 0.11 -0.30 -0.02 0.00 -0.26 0.00 0.00 60.65 60.18 3m81 s ILE 184 Cb -0.11 -2.78 0.00 0.00 1.25 0.00 0.00 42.46 40.82 3m81 s ILE 184 CO 0.01 0.52 0.05 0.00 0.24 0.00 0.00 174.94 175.76 3m81 s ALA 185 N -0.04 -0.11 -0.17 2.27 0.00 -0.20 -0.61 121.76 122.90 3m81 s ALA 185 Ca 0.02 0.02 -0.31 0.00 0.00 0.00 0.00 51.96 51.69 3m81 s ALA 185 Cb -0.13 -0.04 0.14 0.00 0.00 0.00 0.00 23.12 23.09 3m81 s ALA 185 CO 0.02 -0.06 1.12 0.20 0.00 0.00 0.00 175.76 177.04 3m81 s GLY 186 N -0.31 -0.24 0.06 0.00 0.00 -0.71 -0.82 107.32 105.31 3m81 s GLY 186 Ca -0.04 1.89 0.06 0.00 0.00 0.00 0.00 44.72 46.64 3m81 s GLY 186 CO 0.00 0.78 -0.10 -0.32 0.00 0.00 0.00 173.10 173.47 3m81 s GLY 187 N -1.64 1.76 0.00 0.20 0.00 -1.26 -1.66 107.32 104.72 3m81 s GLY 187 Ca 0.05 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.61 3m81 s GLY 187 CO -0.04 -1.09 0.00 1.44 0.00 0.00 0.00 173.10 173.41 3m81 n SER 188 N 1.08 0.00 -0.29 1.64 7.64 -0.32 -0.76 113.62 122.60 3m81 n SER 188 Ca -0.14 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.82 3m81 n SER 188 Cb 0.52 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.97 3m81 n SER 188 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 3m81 h GLN 189 N 0.00 0.52 -0.96 1.43 4.15 -1.85 0.26 115.11 118.65 3m81 h GLN 189 Ca 0.00 -0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.49 3m81 h GLN 189 Cb 0.00 -0.12 -0.08 0.00 0.21 0.00 0.00 27.48 27.50 3m81 h GLN 189 CO 0.00 0.34 0.60 0.78 -1.93 0.00 0.00 178.83 178.62 3m81 h GLY 190 N 0.54 1.52 0.99 2.39 0.00 -0.93 -0.65 103.07 106.93 3m81 h GLY 190 Ca 0.48 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 3m81 h GLY 190 CO -0.42 0.21 0.14 -1.33 0.00 0.00 0.00 176.54 175.14 3m81 h GLY 191 N 1.00 0.91 1.25 4.60 0.00 -0.31 -0.66 103.07 109.87 3m81 h GLY 191 Ca 0.45 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 47.11 3m81 h GLY 191 CO -0.23 0.53 -0.17 -1.33 0.00 0.00 0.00 176.54 175.34 3m81 h GLY 192 N 0.75 0.94 0.98 4.60 0.00 -0.45 -0.79 103.07 109.11 3m81 h GLY 192 Ca 0.17 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.73 3m81 h GLY 192 CO -0.00 0.71 0.12 -2.22 0.00 0.00 0.00 176.54 175.15 3m81 h ILE 193 N 0.77 1.07 -0.82 2.60 2.04 -1.06 -2.11 117.51 120.00 3m81 h ILE 193 Ca 0.11 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 3m81 h ILE 193 Cb 0.69 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 3m81 h ILE 193 CO 0.05 0.06 0.44 0.00 0.00 0.00 0.00 178.15 178.70 3m81 h ALA 194 N 1.05 1.23 -0.44 1.87 0.00 -0.87 -0.31 119.26 121.79 3m81 h ALA 194 Ca 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3m81 h ALA 194 Cb -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3m81 h ALA 194 CO -0.01 0.62 0.16 1.25 0.00 0.00 0.00 179.25 181.26 3m81 h LEU 195 N 1.15 0.62 -0.18 0.00 5.85 -1.02 0.18 115.31 121.91 3m81 h LEU 195 Ca 0.29 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3m81 h LEU 195 Cb 0.04 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3m81 h LEU 195 CO -0.04 0.64 0.08 0.00 -0.34 0.00 0.00 178.44 178.77 3m81 h ALA 196 N 1.01 0.20 -0.27 1.25 0.00 -0.77 -2.58 119.26 118.11 3m81 h ALA 196 Ca 0.15 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3m81 h ALA 196 Cb 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3m81 h ALA 196 CO -0.01 -0.35 -0.00 0.28 0.00 0.00 0.00 179.25 179.17 3m81 h VAL 197 N 0.18 1.17 0.00 0.00 2.07 -0.53 -0.50 116.25 118.63 3m81 h VAL 197 Ca 0.07 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 3m81 h VAL 197 Cb 0.02 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3m81 h VAL 197 CO -0.05 0.22 -0.01 0.77 0.02 0.00 0.00 177.57 178.52 3m81 h SER 198 N 0.39 0.00 0.12 0.57 4.64 -0.25 0.87 113.55 119.90 3m81 h SER 198 Ca 0.09 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.05 3m81 h SER 198 Cb 0.26 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.29 3m81 h SER 198 CO 0.01 0.01 -2.22 0.00 -0.87 0.00 0.00 176.83 173.75 3m81 n ALA 199 N -2.12 1.43 -0.03 5.18 0.00 -0.25 -4.36 120.51 120.36 3m81 n ALA 199 Ca -0.03 -1.10 -0.01 0.00 0.00 0.00 0.00 53.44 52.30 3m81 n ALA 199 Cb 0.10 -0.36 -0.14 0.00 0.00 0.00 0.00 19.45 19.05 3m81 n ALA 199 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3m81 n LEU 200 N -2.98 0.25 -4.82 0.00 4.77 -0.85 -4.88 117.00 108.49 3m81 n LEU 200 Ca -0.32 0.11 -0.37 0.00 -0.03 0.00 0.00 56.01 55.41 3m81 n LEU 200 Cb 1.09 0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 42.35 3m81 n LEU 200 CO 0.40 0.25 0.30 -0.55 -1.33 0.00 0.00 177.39 176.46 3m81 s SER 201 N -5.29 6.97 -0.00 -1.43 0.15 0.26 -4.97 113.70 109.39 3m81 s SER 201 Ca -0.07 1.24 0.21 0.00 0.70 0.00 0.00 55.95 58.03 3m81 s SER 201 Cb 0.09 -2.35 -0.23 0.00 -1.71 0.00 0.00 66.02 61.83 3m81 s SER 201 CO 0.85 0.14 0.84 0.29 1.20 0.00 0.00 173.24 176.55 3m81 n LYS 202 N 1.06 0.13 0.02 5.44 4.76 -1.26 -4.47 118.16 123.84 3m81 n LYS 202 Ca -0.06 -0.04 0.09 0.00 -2.87 0.00 0.00 58.31 55.43 3m81 n LYS 202 Cb 0.51 -1.51 -0.12 0.00 -1.84 0.00 0.00 35.03 32.08 3m81 n LYS 202 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3m81 n LYS 203 N -1.65 0.64 -2.20 1.97 4.76 -1.26 -4.97 118.16 115.45 3m81 n LYS 203 Ca 0.02 -0.07 -0.41 0.00 -2.87 0.00 0.00 58.31 54.99 3m81 n LYS 203 Cb 0.38 -1.63 -0.03 0.00 -1.84 0.00 0.00 35.03 31.91 3m81 n LYS 203 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3m81 s ALA 204 N -3.36 3.52 -0.07 7.82 0.00 -1.26 -4.76 121.76 123.64 3m81 s ALA 204 Ca -0.06 1.14 0.11 0.00 0.00 0.00 0.00 51.96 53.16 3m81 s ALA 204 Cb 0.12 -3.47 -0.16 0.00 0.00 0.00 0.00 23.12 19.60 3m81 s ALA 204 CO 0.86 -0.54 0.13 1.63 0.00 0.00 0.00 175.76 177.85 3m81 n LYS 205 N 2.04 1.41 -3.81 0.00 4.76 0.04 -4.95 118.16 117.65 3m81 n LYS 205 Ca 0.04 -0.05 -0.10 0.00 -2.87 0.00 0.00 58.31 55.33 3m81 n LYS 205 Cb 0.42 -1.29 -0.07 0.00 -1.84 0.00 0.00 35.03 32.25 3m81 n LYS 205 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3m81 s ALA 206 N -2.51 -0.45 -0.13 7.82 0.00 -1.14 -4.15 121.76 121.20 3m81 s ALA 206 Ca -0.05 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.63 3m81 s ALA 206 Cb 0.05 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.58 3m81 s ALA 206 CO 0.48 -0.45 -0.21 -1.17 0.00 0.00 0.00 175.76 174.40 3m81 s LEU 207 N -2.42 2.07 -0.26 0.00 2.96 0.15 -0.99 118.68 120.19 3m81 s LEU 207 Ca -0.01 -0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 53.26 3m81 s LEU 207 Cb 0.01 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.29 3m81 s LEU 207 CO -0.07 0.08 0.05 -0.76 -1.32 0.00 0.00 176.35 174.33 3m81 s LEU 208 N 0.79 3.44 -0.32 -0.68 1.43 0.22 -0.73 118.68 122.84 3m81 s LEU 208 Ca -0.08 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.59 3m81 s LEU 208 Cb -0.16 -1.86 0.11 0.00 0.03 0.00 0.00 46.19 44.30 3m81 s LEU 208 CO -0.01 -0.08 0.12 0.00 0.23 0.00 0.00 176.35 176.61 3m81 s ASP 210 N 1.58 6.07 -0.62 0.00 1.01 -0.66 -2.06 116.67 121.98 3m81 s ASP 210 Ca 0.11 0.35 -0.12 0.00 0.71 0.00 0.00 52.55 53.59 3m81 s ASP 210 Cb -0.18 -1.94 0.02 0.00 1.01 0.00 0.00 42.92 41.83 3m81 s ASP 210 CO -0.24 0.36 0.24 1.33 0.21 0.00 0.00 175.17 177.07 3m81 n VAL 211 N 2.28 -1.03 -2.02 -1.27 0.24 -0.53 -1.18 118.33 114.82 3m81 n VAL 211 Ca -0.19 -0.27 -0.40 0.00 -2.04 0.00 0.00 64.34 61.44 3m81 n VAL 211 Cb 0.54 -0.89 -0.01 0.00 -1.47 0.00 0.00 33.84 32.01 3m81 n VAL 211 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3m81 s PRO 212 N -5.90 4.16 0.40 7.34 0.04 -1.26 -2.47 135.00 137.31 3m81 s PRO 212 Ca 0.17 2.29 0.08 0.00 0.04 0.00 0.00 61.00 63.58 3m81 s PRO 212 Cb -0.10 -2.94 -0.02 0.00 0.04 0.00 0.00 34.50 31.48 3m81 s PRO 212 CO 0.47 -0.38 0.37 0.12 0.04 0.00 0.00 177.00 177.62 3m81 s PHE 213 N -1.17 2.76 -0.86 0.56 5.36 -0.85 -4.68 117.98 119.09 3m81 s PHE 213 Ca 0.52 -0.45 -0.03 0.00 -0.96 0.00 0.00 56.93 56.02 3m81 s PHE 213 Cb -0.41 -2.10 0.00 0.00 -0.34 0.00 0.00 43.02 40.17 3m81 s PHE 213 CO 0.54 -0.07 0.35 1.28 -1.46 0.00 0.00 175.22 175.86 3m81 n LEU 214 N -1.53 -2.20 -4.11 6.12 4.77 -1.26 -3.47 117.00 115.31 3m81 n LEU 214 Ca 0.03 -0.17 -0.26 0.00 -0.03 0.00 0.00 56.01 55.58 3m81 n LEU 214 Cb 0.61 -1.88 -0.16 0.00 -2.33 0.00 0.00 43.42 39.66 3m81 n LEU 214 CO 0.42 0.14 -0.50 0.00 -1.33 0.00 0.00 177.39 176.12 3m81 n HIS 216 N 3.40 -1.84 -0.24 0.00 -0.00 -1.26 -4.66 115.22 110.62 3m81 n HIS 216 Ca -0.20 0.72 0.04 0.00 -0.00 0.00 0.00 57.72 58.29 3m81 n HIS 216 Cb 0.53 -3.96 0.16 0.00 -0.00 0.00 0.00 29.99 26.71 3m81 n HIS 216 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.34 177.08 3m81 h PHE 217 N -1.83 0.08 -0.86 1.57 0.04 -1.95 -0.88 116.94 113.10 3m81 h PHE 217 Ca -0.63 0.05 0.09 0.00 2.80 0.00 0.00 57.97 60.28 3m81 h PHE 217 Cb 1.36 0.08 -0.07 0.00 2.20 0.00 0.00 35.95 39.52 3m81 h PHE 217 CO 0.44 -0.17 0.51 -0.09 -0.60 0.00 0.00 178.31 178.40 3m81 h ARG 218 N 0.17 0.83 -0.02 1.51 9.65 -1.99 -1.29 114.38 123.24 3m81 h ARG 218 Ca 0.39 -0.05 -0.18 0.00 -1.10 0.00 0.00 59.98 59.05 3m81 h ARG 218 Cb 0.68 -0.19 0.01 0.00 -1.39 0.00 0.00 29.97 29.09 3m81 h ARG 218 CO -0.57 0.55 -0.68 -0.09 2.80 0.00 0.00 179.97 181.98 3m81 h ARG 219 N 0.86 0.50 -0.45 0.20 9.65 -1.62 -3.10 114.38 120.42 3m81 h ARG 219 Ca 0.41 -0.51 0.09 0.00 -1.10 0.00 0.00 59.98 58.87 3m81 h ARG 219 Cb 0.35 0.14 -0.09 0.00 -1.39 0.00 0.00 29.97 28.97 3m81 h ARG 219 CO -0.24 1.15 -0.21 0.00 2.80 0.00 0.00 179.97 183.47 3m81 h ALA 220 N 0.37 0.12 0.00 2.80 0.00 -0.49 -1.72 119.26 120.35 3m81 h ALA 220 Ca -0.08 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3m81 h ALA 220 Cb 1.37 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 3m81 h ALA 220 CO 0.14 -0.56 -0.14 -0.24 0.00 0.00 0.00 179.25 178.44 3m81 h VAL 221 N -0.11 0.38 0.00 0.00 3.04 -1.35 -1.98 116.25 116.23 3m81 h VAL 221 Ca 0.21 -0.87 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 3m81 h VAL 221 Cb 0.45 1.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 3m81 h VAL 221 CO -0.52 0.14 -0.69 0.00 -1.01 0.00 0.00 177.57 175.49 3m81 n GLN 222 N -3.32 0.24 -0.11 4.17 6.02 -0.84 -4.47 117.38 119.07 3m81 n GLN 222 Ca 0.00 0.05 -0.15 0.00 -0.01 0.00 0.00 57.00 56.89 3m81 n GLN 222 Cb 0.37 -1.63 -0.10 0.00 1.02 0.00 0.00 30.24 29.90 3m81 n GLN 222 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3m81 n LEU 223 N -1.97 2.98 -4.33 1.08 0.00 -0.71 -5.02 117.00 109.03 3m81 n LEU 223 Ca 0.03 -0.12 -0.23 0.00 0.00 0.00 0.00 56.01 55.70 3m81 n LEU 223 Cb 0.42 -0.77 -0.11 0.00 0.00 0.00 0.00 43.42 42.96 3m81 n LEU 223 CO 0.37 0.87 -0.49 0.68 0.00 0.00 0.00 177.39 178.82 3m81 s VAL 224 N -2.44 1.86 -0.31 1.96 -7.23 -0.79 -5.02 120.40 108.44 3m81 s VAL 224 Ca -0.30 -1.86 0.12 0.00 -1.81 0.00 0.00 61.98 58.14 3m81 s VAL 224 Cb 0.08 -1.82 0.30 0.00 0.56 0.00 0.00 36.38 35.50 3m81 s VAL 224 CO 0.51 -0.25 1.22 -0.90 -0.31 0.00 0.00 175.10 175.37 3m81 n ASP 225 N 0.43 2.87 -4.85 4.85 5.68 -1.26 -4.66 116.55 119.62 3m81 n ASP 225 Ca -0.14 -2.58 -0.32 0.00 -0.50 0.00 0.00 54.79 51.25 3m81 n ASP 225 Cb 0.56 -0.32 -0.01 0.00 -1.14 0.00 0.00 41.12 40.21 3m81 n ASP 225 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3m81 s THR 226 N -2.01 4.51 0.46 2.12 -4.23 -1.26 -4.69 115.64 110.53 3m81 s THR 226 Ca 0.26 1.02 -0.19 0.00 -1.18 0.00 0.00 61.69 61.61 3m81 s THR 226 Cb 0.20 -3.73 -0.10 0.00 1.34 0.00 0.00 72.50 70.21 3m81 s THR 226 CO 0.07 -0.86 0.95 -1.00 -0.54 0.00 0.00 174.62 173.24 3m81 s HIS 227 N -2.85 3.37 -1.68 3.99 3.76 -1.26 -0.98 115.29 119.64 3m81 s HIS 227 Ca 0.58 1.52 0.27 0.00 -0.15 0.00 0.00 55.06 57.28 3m81 s HIS 227 Cb -0.11 -2.80 0.86 0.00 1.11 0.00 0.00 32.58 31.64 3m81 s HIS 227 CO 0.42 -0.20 1.63 -2.30 -0.85 0.00 0.00 174.74 173.44 3m81 n PRO 228 N -1.01 0.75 -0.02 8.40 -0.02 -1.26 -4.88 135.00 136.96 3m81 n PRO 228 Ca 0.07 -0.40 0.13 0.00 -2.02 0.00 0.00 63.50 61.28 3m81 n PRO 228 Cb 0.54 -1.49 0.56 0.00 -0.02 0.00 0.00 33.50 33.09 3m81 n PRO 228 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 3m81 h TYR 229 N 0.97 0.28 0.00 6.00 0.05 -1.85 -1.88 116.97 120.54 3m81 h TYR 229 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 3m81 h TYR 229 Cb 0.47 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.12 3m81 h TYR 229 CO 0.00 0.14 0.00 0.00 -1.05 0.00 0.00 178.16 177.25 3m81 h ALA 230 N 1.74 1.00 -0.85 3.88 0.00 -1.33 -1.96 119.26 121.74 3m81 h ALA 230 Ca 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3m81 h ALA 230 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3m81 h ALA 230 CO -0.05 0.00 0.43 0.93 0.00 0.00 0.00 179.25 180.56 3m81 h GLU 231 N 0.00 1.21 -0.21 0.00 5.08 -1.62 0.59 114.58 119.62 3m81 h GLU 231 Ca 0.00 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 3m81 h GLU 231 Cb 0.16 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3m81 h GLU 231 CO 0.00 0.91 0.01 0.82 -1.00 0.00 0.00 179.01 179.76 3m81 h ILE 232 N 1.20 1.24 -0.78 3.13 2.04 -1.54 -2.05 117.51 120.76 3m81 h ILE 232 Ca 0.29 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 65.35 3m81 h ILE 232 Cb 0.09 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 3m81 h ILE 232 CO -0.04 0.26 0.50 0.74 0.00 0.00 0.00 178.15 179.61 3m81 h THR 233 N 0.14 1.14 -0.57 -0.27 2.02 -1.44 -0.86 112.91 113.08 3m81 h THR 233 Ca 0.06 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 66.80 3m81 h THR 233 Cb 0.37 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 3m81 h THR 233 CO 0.01 0.18 -0.06 0.78 0.37 0.00 0.00 175.52 176.80 3m81 h ASN 234 N 0.99 1.03 -0.31 4.18 2.35 -0.77 -0.17 115.58 122.88 3m81 h ASN 234 Ca 0.30 -0.32 0.04 0.00 -0.55 0.00 0.00 56.30 55.77 3m81 h ASN 234 Cb -0.03 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.02 3m81 h ASN 234 CO -0.09 1.11 0.08 0.15 -1.65 0.00 0.00 177.43 177.03 3m81 h PHE 235 N 0.93 0.13 -0.06 1.19 3.04 -0.97 -2.52 116.94 118.68 3m81 h PHE 235 Ca 0.15 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.07 3m81 h PHE 235 Cb 0.62 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.11 3m81 h PHE 235 CO 0.04 0.04 -0.22 -0.07 -2.02 0.00 0.00 178.31 176.08 3m81 h LEU 236 N 0.20 0.09 -1.24 0.59 3.38 -0.57 0.36 115.31 118.12 3m81 h LEU 236 Ca 0.14 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3m81 h LEU 236 Cb 0.14 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3m81 h LEU 236 CO -0.17 0.32 0.34 0.11 0.09 0.00 0.00 178.44 179.13 3m81 h LYS 237 N 0.09 0.86 0.00 1.13 1.57 -0.60 -3.28 116.57 116.33 3m81 h LYS 237 Ca 0.02 -0.09 -0.19 0.00 -1.87 0.00 0.00 60.65 58.52 3m81 h LYS 237 Cb 0.45 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 3m81 h LYS 237 CO 0.03 0.64 -1.09 1.15 -0.57 0.00 0.00 179.45 179.61 3m81 h THR 238 N 0.87 0.87 -1.17 -0.16 2.02 -1.34 -3.41 112.91 110.58 3m81 h THR 238 Ca 0.22 -2.05 -0.74 0.00 0.77 0.00 0.00 66.41 64.60 3m81 h THR 238 Cb 0.03 2.04 -0.13 0.00 -1.74 0.00 0.00 68.15 68.34 3m81 h THR 238 CO -0.04 0.29 2.19 1.41 0.37 0.00 0.00 175.52 179.74 3m81 n HIS 239 N -4.47 3.28 0.53 3.16 8.25 0.08 -4.78 115.22 121.28 3m81 n HIS 239 Ca -0.28 -2.88 0.10 0.00 -0.26 0.00 0.00 57.72 54.41 3m81 n HIS 239 Cb 0.62 -2.11 0.42 0.00 1.12 0.00 0.00 29.99 30.04 3m81 n HIS 239 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3m81 n ARG 240 N 4.58 0.10 -0.30 -0.41 1.74 -1.24 -1.30 116.66 119.82 3m81 n ARG 240 Ca 0.42 0.28 0.09 0.00 -0.77 0.00 0.00 57.85 57.87 3m81 n ARG 240 Cb 0.38 -1.67 0.25 0.00 -1.02 0.00 0.00 32.46 30.39 3m81 n ARG 240 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3m81 n ASP 241 N -1.85 3.04 -0.09 0.55 5.75 -1.26 -4.47 116.55 118.22 3m81 n ASP 241 Ca 0.04 -2.04 0.01 0.00 -0.01 0.00 0.00 54.79 52.79 3m81 n ASP 241 Cb 0.24 -0.38 0.02 0.00 -1.03 0.00 0.00 41.12 39.96 3m81 n ASP 241 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3m81 n LYS 242 N 1.08 2.42 -0.01 0.11 4.76 -0.42 -4.78 118.16 121.32 3m81 n LYS 242 Ca 0.19 -1.44 -0.09 0.00 -2.87 0.00 0.00 58.31 54.10 3m81 n LYS 242 Cb 0.49 -1.04 -0.03 0.00 -1.84 0.00 0.00 35.03 32.61 3m81 n LYS 242 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3m81 h GLU 243 N 0.31 -0.11 -0.49 1.97 4.81 -1.78 -0.31 114.58 118.97 3m81 h GLU 243 Ca 0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 3m81 h GLU 243 Cb 0.47 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3m81 h GLU 243 CO 0.00 -0.08 0.19 1.49 -0.73 0.00 0.00 179.01 179.88 3m81 h GLU 244 N -0.12 0.74 -0.47 1.92 4.81 -1.96 -1.78 114.58 117.73 3m81 h GLU 244 Ca 0.09 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3m81 h GLU 244 Cb 0.24 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3m81 h GLU 244 CO -0.21 0.67 0.25 0.82 -0.73 0.00 0.00 179.01 179.82 3m81 h ILE 245 N 0.66 1.17 -0.36 2.32 2.04 -1.81 -1.04 117.51 120.48 3m81 h ILE 245 Ca 0.16 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 3m81 h ILE 245 Cb 0.21 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3m81 h ILE 245 CO -0.01 0.18 0.22 0.58 0.00 0.00 0.00 178.15 179.12 3m81 h VAL 246 N 0.62 1.12 0.00 1.67 2.07 -0.66 -0.56 116.25 120.50 3m81 h VAL 246 Ca 0.16 -0.26 -0.14 0.00 0.82 0.00 0.00 66.70 67.28 3m81 h VAL 246 Cb 0.06 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3m81 h VAL 246 CO -0.03 0.12 -0.68 -0.26 0.02 0.00 0.00 177.57 176.74 3m81 h PHE 247 N 0.48 0.00 0.04 1.57 0.04 -1.20 -1.27 116.94 116.60 3m81 h PHE 247 Ca 0.13 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.91 3m81 h PHE 247 Cb -0.01 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3m81 h PHE 247 CO -0.04 0.68 -0.10 -0.09 -0.60 0.00 0.00 178.31 178.16 3m81 h ARG 248 N 0.00 -0.19 -0.13 1.51 2.43 -0.75 -1.58 114.38 115.66 3m81 h ARG 248 Ca -0.01 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3m81 h ARG 248 Cb 1.31 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.89 3m81 h ARG 248 CO 0.09 -0.12 0.02 1.15 -1.51 0.00 0.00 179.97 179.59 3m81 h THR 249 N -0.19 0.93 0.00 0.20 2.02 -0.80 -2.70 112.91 112.38 3m81 h THR 249 Ca 0.02 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3m81 h THR 249 Cb 0.22 0.86 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 3m81 h THR 249 CO -0.07 0.01 -0.14 -0.07 0.37 0.00 0.00 175.52 175.63 3m81 h LEU 250 N 0.07 0.00 -1.69 2.58 3.38 -1.05 -2.26 115.31 116.35 3m81 h LEU 250 Ca 0.06 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.18 3m81 h LEU 250 Cb 0.06 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3m81 h LEU 250 CO -0.09 0.14 0.48 0.77 0.09 0.00 0.00 178.44 179.83 3m81 h SER 251 N 0.00 0.29 0.76 -0.43 4.64 -0.94 0.13 113.55 118.00 3m81 h SER 251 Ca -0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3m81 h SER 251 Cb 0.26 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3m81 h SER 251 CO 0.02 0.15 0.00 -1.22 -0.87 0.00 0.00 176.83 174.91 3m81 n TYR 252 N -4.45 0.24 -0.03 4.77 4.02 -0.85 -3.39 117.16 117.48 3m81 n TYR 252 Ca 0.13 0.09 0.00 0.00 -0.01 0.00 0.00 57.90 58.11 3m81 n TYR 252 Cb 0.56 -0.64 0.00 0.00 -0.02 0.00 0.00 39.34 39.24 3m81 n TYR 252 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3m81 n PHE 253 N -1.71 0.00 -2.80 -0.72 3.72 0.41 -5.03 117.46 111.33 3m81 n PHE 253 Ca 0.04 -0.48 -0.42 0.00 -0.05 0.00 0.00 57.45 56.54 3m81 n PHE 253 Cb 0.25 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 38.71 3m81 n PHE 253 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3m81 s ASP 254 N -0.97 6.96 0.52 4.37 -1.08 -1.00 -4.88 116.67 120.60 3m81 s ASP 254 Ca 0.00 1.20 0.34 0.00 -0.52 0.00 0.00 52.55 53.57 3m81 s ASP 254 Cb 0.00 -2.48 1.48 0.00 -1.46 0.00 0.00 42.92 40.46 3m81 s ASP 254 CO 0.00 -0.55 1.80 1.23 0.52 0.00 0.00 175.17 178.16 3m81 h GLY 255 N 9.10 0.22 1.02 2.66 0.00 -1.36 -0.33 103.07 114.37 3m81 h GLY 255 Ca -0.23 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 3m81 h GLY 255 CO 0.90 -0.03 0.34 -2.08 0.00 0.00 0.00 176.54 175.67 3m81 h VAL 256 N 0.06 1.24 -0.07 4.60 2.07 -1.90 0.11 116.25 122.36 3m81 h VAL 256 Ca 0.58 -0.70 -0.15 0.00 0.82 0.00 0.00 66.70 67.24 3m81 h VAL 256 Cb 2.16 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 3m81 h VAL 256 CO -0.06 0.29 -0.62 0.78 0.02 0.00 0.00 177.57 177.98 3m81 h ASN 257 N 1.04 0.28 -0.34 0.57 2.35 -1.41 -2.52 115.58 115.56 3m81 h ASN 257 Ca 0.25 -0.17 -0.16 0.00 -0.55 0.00 0.00 56.30 55.68 3m81 h ASN 257 Cb 0.14 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3m81 h ASN 257 CO -0.03 0.83 -0.39 -0.26 -1.65 0.00 0.00 177.43 175.93 3m81 h PHE 258 N 0.18 1.07 -0.81 1.19 0.04 -1.29 -3.24 116.94 114.07 3m81 h PHE 258 Ca -0.01 -0.32 0.05 0.00 2.80 0.00 0.00 57.97 60.49 3m81 h PHE 258 Cb 1.13 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 39.01 3m81 h PHE 258 CO 0.02 1.13 0.50 0.00 -0.60 0.00 0.00 178.31 179.37 3m81 h ALA 259 N 0.82 1.09 0.00 2.45 0.00 -0.66 -0.82 119.26 122.14 3m81 h ALA 259 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3m81 h ALA 259 Cb 0.97 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3m81 h ALA 259 CO 0.09 0.28 0.07 0.00 0.00 0.00 0.00 179.25 179.70 3m81 h ALA 260 N 1.36 1.07 0.00 0.00 0.00 -1.47 -1.84 119.26 118.39 3m81 h ALA 260 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3m81 h ALA 260 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3m81 h ALA 260 CO -0.14 -0.07 -1.33 0.54 0.00 0.00 0.00 179.25 178.24 3m81 n ARG 261 N -2.96 1.01 -2.63 0.00 1.74 -0.36 -4.59 116.66 108.87 3m81 n ARG 261 Ca -0.03 -0.09 -0.39 0.00 -0.77 0.00 0.00 57.85 56.58 3m81 n ARG 261 Cb 0.14 -1.33 -0.05 0.00 -1.02 0.00 0.00 32.46 30.19 3m81 n ARG 261 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3m81 s ALA 262 N -2.88 3.28 -0.02 7.54 0.00 -0.88 -4.88 121.76 123.92 3m81 s ALA 262 Ca -0.01 0.70 0.02 0.00 0.00 0.00 0.00 51.96 52.67 3m81 s ALA 262 Cb 0.11 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 3m81 s ALA 262 CO 0.67 -0.00 0.05 1.63 0.00 0.00 0.00 175.76 178.11 3m81 n LYS 263 N 0.86 1.05 -2.33 0.00 4.76 -1.26 -1.70 118.16 119.54 3m81 n LYS 263 Ca 0.01 -0.02 -0.34 0.00 -2.87 0.00 0.00 58.31 55.09 3m81 n LYS 263 Cb 0.48 -0.98 -0.01 0.00 -1.84 0.00 0.00 35.03 32.68 3m81 n LYS 263 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3m81 s ILE 264 N -1.99 3.66 0.50 -0.18 -4.36 -1.26 -4.15 121.20 113.42 3m81 s ILE 264 Ca -0.01 0.96 -0.23 0.00 -0.26 0.00 0.00 60.65 61.11 3m81 s ILE 264 Cb 0.01 -3.39 -0.06 0.00 1.25 0.00 0.00 42.46 40.27 3m81 s ILE 264 CO 0.08 -0.30 1.31 -2.16 0.24 0.00 0.00 174.94 174.11 3m81 s PRO 265 N -3.50 3.45 -0.01 0.37 0.04 -1.26 -4.27 135.00 129.81 3m81 s PRO 265 Ca 0.67 2.13 -0.01 0.00 0.04 0.00 0.00 61.00 63.83 3m81 s PRO 265 Cb -0.18 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 31.97 3m81 s PRO 265 CO 0.27 -0.91 0.04 0.00 0.04 0.00 0.00 177.00 176.43 3m81 s ALA 266 N -1.35 -0.10 -0.25 8.56 0.00 -0.42 -0.67 121.76 127.54 3m81 s ALA 266 Ca 0.67 0.11 -0.01 0.00 0.00 0.00 0.00 51.96 52.72 3m81 s ALA 266 Cb -0.37 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 22.71 3m81 s ALA 266 CO 0.45 -0.02 -0.07 -1.17 0.00 0.00 0.00 175.76 174.95 3m81 s LEU 267 N 0.01 3.16 0.25 0.00 2.96 0.09 -1.65 118.68 123.50 3m81 s LEU 267 Ca -0.00 -0.91 0.05 0.00 -0.22 0.00 0.00 54.13 53.06 3m81 s LEU 267 Cb -0.00 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 3m81 s LEU 267 CO 0.00 -0.13 0.35 -0.36 -1.32 0.00 0.00 176.35 174.90 3m81 s PHE 268 N 1.30 3.40 0.03 5.38 0.40 0.16 -1.23 117.98 127.43 3m81 s PHE 268 Ca -0.00 -0.04 -0.02 0.00 -0.60 0.00 0.00 56.93 56.27 3m81 s PHE 268 Cb -0.17 -1.58 -0.02 0.00 0.51 0.00 0.00 43.02 41.76 3m81 s PHE 268 CO -0.05 0.42 -0.00 -1.54 0.70 0.00 0.00 175.22 174.75 3m81 s SER 269 N -3.98 0.31 -0.16 1.36 1.04 -0.87 -1.18 113.70 110.21 3m81 s SER 269 Ca 0.35 -0.67 -0.14 0.00 0.48 0.00 0.00 55.95 55.97 3m81 s SER 269 Cb -0.09 0.16 0.04 0.00 0.10 0.00 0.00 66.02 66.23 3m81 s SER 269 CO 0.29 -0.45 0.41 0.54 0.98 0.00 0.00 173.24 175.02 3m81 s VAL 270 N -2.52 -0.00 -0.19 5.02 0.11 -0.68 -1.46 120.40 120.68 3m81 s VAL 270 Ca -0.06 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 58.94 3m81 s VAL 270 Cb -0.02 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 3m81 s VAL 270 CO -0.05 0.00 0.01 -0.83 -3.33 0.00 0.00 175.10 170.90 3m81 s GLY 271 N 0.27 1.76 0.02 6.54 0.00 -1.26 -0.71 107.32 113.93 3m81 s GLY 271 Ca -0.00 -0.90 0.25 0.00 0.00 0.00 0.00 44.72 44.06 3m81 s GLY 271 CO -0.00 0.14 1.79 1.04 0.00 0.00 0.00 173.10 176.06 3m81 n LEU 272 N 3.96 0.05 -0.75 0.66 4.77 -0.50 -2.29 117.00 122.89 3m81 n LEU 272 Ca -0.17 0.51 0.08 0.00 -0.03 0.00 0.00 56.01 56.39 3m81 n LEU 272 Cb 0.52 -0.49 0.22 0.00 -2.33 0.00 0.00 43.42 41.33 3m81 n LEU 272 CO 0.33 -0.09 0.67 0.23 -1.33 0.00 0.00 177.39 177.20 3m81 n MET 273 N -1.55 2.82 -2.16 3.23 2.81 -0.50 -4.60 117.12 117.16 3m81 n MET 273 Ca 0.06 -2.58 -0.43 0.00 -1.81 0.00 0.00 57.70 52.94 3m81 n MET 273 Cb 0.29 -1.65 -0.02 0.00 -0.71 0.00 0.00 33.22 31.13 3m81 n MET 273 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3m81 s ASP 274 N -1.71 6.27 0.00 7.83 -1.08 -0.97 -4.50 116.67 122.51 3m81 s ASP 274 Ca 0.35 1.33 0.23 0.00 -0.52 0.00 0.00 52.55 53.95 3m81 s ASP 274 Cb 0.27 -2.53 0.40 0.00 -1.46 0.00 0.00 42.92 39.60 3m81 s ASP 274 CO 0.10 -1.39 1.39 -0.46 0.52 0.00 0.00 175.17 175.33 3m81 n ASN 275 N 8.91 3.38 -0.09 -0.34 6.94 -1.26 -3.71 115.26 129.08 3m81 n ASN 275 Ca 0.19 -1.99 -0.23 0.00 -0.02 0.00 0.00 54.58 52.52 3m81 n ASN 275 Cb 0.46 -0.21 -0.12 0.00 -2.36 0.00 0.00 39.78 37.55 3m81 n ASN 275 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 3m81 n ILE 276 N 1.46 1.58 -3.93 1.53 2.08 -1.26 -4.59 119.36 116.22 3m81 n ILE 276 Ca 0.19 -0.26 -0.30 0.00 0.56 0.00 0.00 62.75 62.93 3m81 n ILE 276 Cb 0.60 -1.91 -0.14 0.00 -0.75 0.00 0.00 39.64 37.45 3m81 n ILE 276 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3m81 s PRO 278 N -0.34 3.15 0.27 0.00 0.02 -1.24 -4.77 135.00 132.10 3m81 s PRO 278 Ca 0.17 2.19 0.01 0.00 0.02 0.00 0.00 61.00 63.40 3m81 s PRO 278 Cb -0.25 -2.24 0.60 0.00 0.02 0.00 0.00 34.50 32.63 3m81 s PRO 278 CO -0.01 -1.17 1.76 -1.35 -0.33 0.00 0.00 177.00 175.90 3m81 h PRO 279 N 1.45 0.61 -0.20 5.54 0.11 -1.79 -1.05 132.00 136.68 3m81 h PRO 279 Ca -0.51 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 3m81 h PRO 279 Cb 1.30 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3m81 h PRO 279 CO 0.57 0.40 0.00 0.66 -0.21 0.00 0.00 178.00 179.43 3m81 h SER 280 N 0.63 0.26 -0.14 -2.05 4.64 -1.93 0.21 113.55 115.16 3m81 h SER 280 Ca 0.50 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.69 3m81 h SER 280 Cb 0.75 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3m81 h SER 280 CO -0.39 0.31 -0.28 0.71 -0.87 0.00 0.00 176.83 176.31 3m81 h THR 281 N 0.28 1.36 -0.32 2.95 1.35 -1.53 -1.64 112.91 115.36 3m81 h THR 281 Ca 0.07 -1.54 -0.02 0.00 -0.55 0.00 0.00 66.41 64.37 3m81 h THR 281 Cb 0.19 2.01 -0.01 0.00 -1.73 0.00 0.00 68.15 68.60 3m81 h THR 281 CO 0.00 0.46 0.13 0.58 -0.25 0.00 0.00 175.52 176.45 3m81 h VAL 282 N 0.05 1.18 -0.32 6.82 2.07 -0.86 -2.60 116.25 122.58 3m81 h VAL 282 Ca 0.01 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 3m81 h VAL 282 Cb 0.87 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3m81 h VAL 282 CO 0.06 0.19 -0.13 -0.26 0.02 0.00 0.00 177.57 177.45 3m81 h PHE 283 N 0.37 0.61 -0.14 1.57 0.04 -0.66 -0.21 116.94 118.53 3m81 h PHE 283 Ca 0.11 -0.10 0.04 0.00 2.80 0.00 0.00 57.97 60.81 3m81 h PHE 283 Cb 0.17 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.12 3m81 h PHE 283 CO -0.01 0.67 -0.09 0.00 -0.60 0.00 0.00 178.31 178.28 3m81 h ALA 284 N 1.35 0.02 0.26 2.45 0.00 -1.09 0.31 119.26 122.56 3m81 h ALA 284 Ca 0.09 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3m81 h ALA 284 Cb 0.53 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3m81 h ALA 284 CO 0.03 -0.54 -0.12 0.00 0.00 0.00 0.00 179.25 178.62 3m81 h ALA 285 N 1.01 -0.34 -0.37 0.00 0.00 -1.06 -2.51 119.26 115.99 3m81 h ALA 285 Ca 0.08 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3m81 h ALA 285 Cb 0.22 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3m81 h ALA 285 CO -0.20 -0.69 0.12 -0.92 0.00 0.00 0.00 179.25 177.56 3m81 h TYR 286 N -0.35 0.21 -0.17 0.00 3.20 -0.82 -1.35 116.97 117.69 3m81 h TYR 286 Ca -0.04 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 3m81 h TYR 286 Cb 0.27 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 3m81 h TYR 286 CO -0.06 0.08 -0.14 -0.91 -1.64 0.00 0.00 178.16 175.50 3m81 h ASN 287 N 0.27 0.26 1.07 -2.11 2.35 -0.30 -2.11 115.58 115.00 3m81 h ASN 287 Ca 0.17 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3m81 h ASN 287 Cb 0.15 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3m81 h ASN 287 CO -0.18 0.43 -0.35 -1.22 -1.65 0.00 0.00 177.43 174.46 3m81 n TYR 288 N -4.25 0.61 -1.68 1.19 4.01 -0.95 -4.91 117.16 111.17 3m81 n TYR 288 Ca -0.00 0.18 -0.45 0.00 -0.16 0.00 0.00 57.90 57.46 3m81 n TYR 288 Cb 0.28 -0.72 -0.04 0.00 -0.31 0.00 0.00 39.34 38.56 3m81 n TYR 288 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 3m81 n TYR 289 N -2.07 2.45 0.94 -0.72 9.36 -0.54 -3.41 117.16 123.17 3m81 n TYR 289 Ca 0.05 -0.02 0.12 0.00 3.32 0.00 0.00 57.90 61.36 3m81 n TYR 289 Cb 0.42 -2.67 0.16 0.00 -0.63 0.00 0.00 39.34 36.62 3m81 n TYR 289 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3m81 n ALA 290 N 5.45 3.71 -1.98 2.98 0.00 -0.73 -4.91 120.51 125.03 3m81 n ALA 290 Ca 0.19 -0.39 -0.24 0.00 0.00 0.00 0.00 53.44 53.00 3m81 n ALA 290 Cb 0.33 -1.05 0.09 0.00 0.00 0.00 0.00 19.45 18.82 3m81 n ALA 290 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3m81 s GLY 291 N -3.09 1.77 0.34 0.00 0.00 -0.69 -4.78 107.32 100.87 3m81 s GLY 291 Ca 0.10 -1.51 -0.29 0.00 0.00 0.00 0.00 44.72 43.02 3m81 s GLY 291 CO 0.74 -1.01 1.48 -4.14 0.00 0.00 0.00 173.10 170.17 3m81 s PRO 292 N -5.12 4.16 0.02 2.90 0.02 -1.26 -4.89 135.00 130.83 3m81 s PRO 292 Ca 0.64 2.50 -0.18 0.00 0.02 0.00 0.00 61.00 63.98 3m81 s PRO 292 Cb -0.07 -3.01 0.03 0.00 0.02 0.00 0.00 34.50 31.48 3m81 s PRO 292 CO 0.44 -0.50 0.40 -1.59 -0.33 0.00 0.00 177.00 175.42 3m81 s LYS 293 N -1.51 0.85 0.02 5.54 -2.85 -1.26 -1.30 119.74 119.23 3m81 s LYS 293 Ca 0.55 -0.26 -0.01 0.00 -1.00 0.00 0.00 55.97 55.25 3m81 s LYS 293 Cb -0.45 0.38 -0.02 0.00 -2.06 0.00 0.00 37.83 35.68 3m81 s LYS 293 CO 0.56 -0.27 -0.01 -1.21 0.10 0.00 0.00 175.35 174.53 3m81 s GLU 294 N -2.00 0.39 -0.06 1.78 2.02 -0.66 -4.98 118.70 115.19 3m81 s GLU 294 Ca -0.08 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.24 3m81 s GLU 294 Cb -0.02 0.14 0.01 0.00 0.10 0.00 0.00 34.13 34.36 3m81 s GLU 294 CO 0.01 -0.07 -0.12 -1.50 0.02 0.00 0.00 175.26 173.60 3m81 s ILE 295 N -1.91 1.11 -0.23 -1.63 2.07 -1.26 -0.66 121.20 118.70 3m81 s ILE 295 Ca -0.12 -0.47 -0.16 0.00 -1.41 0.00 0.00 60.65 58.49 3m81 s ILE 295 Cb -0.06 -1.02 -0.04 0.00 0.13 0.00 0.00 42.46 41.47 3m81 s ILE 295 CO -0.02 0.35 0.40 -0.13 -1.91 0.00 0.00 174.94 173.62 3m81 s ARG 296 N 0.61 4.11 -0.21 3.50 1.81 -0.33 -4.97 118.95 123.48 3m81 s ARG 296 Ca -0.13 0.15 -0.08 0.00 -1.72 0.00 0.00 55.73 53.94 3m81 s ARG 296 Cb -0.15 -3.59 -0.04 0.00 -0.45 0.00 0.00 34.95 30.72 3m81 s ARG 296 CO 0.03 -0.15 0.09 0.42 -0.68 0.00 0.00 175.30 175.02 3m81 s ILE 297 N 1.66 4.88 -0.46 1.52 1.01 -1.26 -1.69 121.20 126.86 3m81 s ILE 297 Ca 0.18 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.84 3m81 s ILE 297 Cb -0.15 -3.23 0.12 0.00 0.01 0.00 0.00 42.46 39.21 3m81 s ILE 297 CO 0.09 0.41 0.23 -0.31 0.00 0.00 0.00 174.94 175.35 3m81 s TYR 298 N 0.75 3.51 0.36 3.97 2.02 0.11 -4.98 117.35 123.09 3m81 s TYR 298 Ca 0.05 -2.80 0.19 0.00 -0.37 0.00 0.00 57.07 54.14 3m81 s TYR 298 Cb -0.13 -3.06 1.02 0.00 -0.40 0.00 0.00 41.96 39.39 3m81 s TYR 298 CO 0.02 -0.89 1.92 -1.35 -1.57 0.00 0.00 175.55 173.68 3m81 h PRO 299 N 7.37 0.00 -0.14 -1.71 0.11 -1.96 -1.31 132.00 134.37 3m81 h PRO 299 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3m81 h PRO 299 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3m81 h PRO 299 CO 0.65 0.25 0.00 0.66 -0.21 0.00 0.00 178.00 179.36 3m81 n TYR 300 N -3.86 0.17 -3.63 0.65 4.01 -1.26 -4.18 117.16 109.08 3m81 n TYR 300 Ca -0.02 -0.14 -0.31 0.00 -0.16 0.00 0.00 57.90 57.28 3m81 n TYR 300 Cb 0.34 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.32 3m81 n TYR 300 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3m81 s ASN 301 N -1.19 6.48 0.00 7.72 -0.87 -1.15 -4.85 114.94 121.09 3m81 s ASN 301 Ca 0.21 0.60 0.00 0.00 -1.57 0.00 0.00 52.86 52.11 3m81 s ASN 301 Cb 0.14 -2.10 0.00 0.00 -0.02 0.00 0.00 41.25 39.27 3m81 s ASN 301 CO 0.20 0.01 0.00 -3.20 -2.57 0.00 0.00 177.10 171.53 3m81 n ASN 302 N -0.12 0.00 0.17 -1.22 5.15 -1.26 -1.42 115.26 116.56 3m81 n ASN 302 Ca -0.02 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.09 3m81 n ASN 302 Cb 0.52 0.00 0.60 0.00 -0.53 0.00 0.00 39.78 40.37 3m81 n ASN 302 CO 0.00 0.00 0.00 -0.74 1.40 0.00 0.00 177.26 177.92 3m81 h HIS 303 N 0.00 0.00 0.00 1.20 2.76 -1.91 -1.50 115.15 115.70 3m81 h HIS 303 Ca 0.00 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3m81 h HIS 303 Cb 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 3m81 h HIS 303 CO 0.00 0.00 -0.00 1.05 -1.30 0.00 0.00 177.93 177.68 3m81 h GLU 304 N 0.00 0.00 0.00 5.26 9.09 -1.99 -3.48 114.58 123.46 3m81 h GLU 304 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3m81 h GLU 304 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 3m81 h GLU 304 CO 0.00 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.47 3m81 n GLY 305 N -0.85 3.00 0.00 1.06 0.00 -0.57 -2.34 105.19 105.50 3m81 n GLY 305 Ca -0.02 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 45.90 3m81 n GLY 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m81 n GLY 306 N 0.00 -1.34 7.00 -0.02 0.00 -1.26 -4.77 105.19 104.79 3m81 n GLY 306 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3m81 n GLY 306 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m81 n GLY 307 N 1.33 2.52 0.27 -0.02 0.00 -0.99 -1.64 105.19 106.66 3m81 n GLY 307 Ca 0.12 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.05 3m81 n GLY 307 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3m81 h SER 308 N 1.76 0.11 -0.79 1.61 0.02 -1.94 -2.06 113.55 112.27 3m81 h SER 308 Ca 0.00 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 3m81 h SER 308 Cb 0.00 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 3m81 h SER 308 CO 0.00 0.10 0.32 -0.26 -1.14 0.00 0.00 176.83 175.85 3m81 h PHE 309 N 0.13 1.20 -0.05 3.45 -1.00 -1.73 -2.26 116.94 116.68 3m81 h PHE 309 Ca 0.04 -0.09 -0.09 0.00 2.81 0.00 0.00 57.97 60.63 3m81 h PHE 309 Cb 0.02 -0.36 -0.01 0.00 3.61 0.00 0.00 35.95 39.20 3m81 h PHE 309 CO 0.00 0.90 -0.41 0.37 -1.61 0.00 0.00 178.31 177.57 3m81 h GLN 310 N 1.15 0.10 -0.37 1.51 5.75 -1.04 -2.43 115.11 119.78 3m81 h GLN 310 Ca 0.27 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 3m81 h GLN 310 Cb 0.21 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 3m81 h GLN 310 CO -0.02 0.50 0.24 0.00 -2.65 0.00 0.00 178.83 176.90 3m81 h ALA 311 N 1.50 0.47 -0.46 3.38 0.00 -1.19 -0.33 119.26 122.62 3m81 h ALA 311 Ca 0.01 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3m81 h ALA 311 Cb 0.76 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3m81 h ALA 311 CO 0.06 -0.07 0.24 0.28 0.00 0.00 0.00 179.25 179.75 3m81 h VAL 312 N 0.50 0.97 -0.60 0.00 2.07 -1.22 -1.92 116.25 116.07 3m81 h VAL 312 Ca 0.14 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3m81 h VAL 312 Cb -0.06 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 3m81 h VAL 312 CO -0.03 0.09 0.32 -0.33 0.02 0.00 0.00 177.57 177.64 3m81 h GLU 313 N 0.47 0.82 -0.19 1.57 4.39 -0.94 -1.85 114.58 118.85 3m81 h GLU 313 Ca 0.20 -0.08 -0.18 0.00 0.34 0.00 0.00 59.36 59.64 3m81 h GLU 313 Cb 0.10 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3m81 h GLU 313 CO -0.14 0.60 -0.58 1.96 -1.16 0.00 0.00 179.01 179.70 3m81 h GLN 314 N 0.83 0.72 -0.49 2.33 4.20 -0.58 0.17 115.11 122.28 3m81 h GLN 314 Ca 0.21 -0.53 -0.04 0.00 0.06 0.00 0.00 58.65 58.36 3m81 h GLN 314 Cb 0.02 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3m81 h GLN 314 CO -0.03 1.15 0.16 0.28 -0.67 0.00 0.00 178.83 179.71 3m81 h VAL 315 N 0.43 1.22 -0.73 -0.54 2.07 -1.12 -1.87 116.25 115.71 3m81 h VAL 315 Ca -0.02 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 3m81 h VAL 315 Cb 1.20 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3m81 h VAL 315 CO 0.12 0.27 0.20 0.11 0.02 0.00 0.00 177.57 178.30 3m81 h LYS 316 N 0.66 1.15 -0.11 1.57 1.57 -1.28 -2.03 116.57 118.11 3m81 h LYS 316 Ca 0.16 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3m81 h LYS 316 Cb 0.26 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3m81 h LYS 316 CO -0.01 1.00 0.03 0.35 -0.57 0.00 0.00 179.45 180.25 3m81 h PHE 317 N 1.10 0.06 -0.22 -1.35 3.57 -0.76 -2.32 116.94 117.01 3m81 h PHE 317 Ca 0.23 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.67 3m81 h PHE 317 Cb 0.34 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 3m81 h PHE 317 CO 0.03 0.03 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.94 3m81 h LEU 318 N 0.08 0.48 -0.40 0.59 3.38 -1.24 -1.17 115.31 117.03 3m81 h LEU 318 Ca 0.05 -0.42 0.08 0.00 0.09 0.00 0.00 57.88 57.68 3m81 h LEU 318 Cb 0.03 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 40.56 3m81 h LEU 318 CO -0.06 0.80 -0.20 0.50 0.09 0.00 0.00 178.44 179.57 3m81 h LYS 319 N 0.16 -0.13 -0.68 1.13 3.64 -1.35 -0.25 116.57 119.10 3m81 h LYS 319 Ca 0.05 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3m81 h LYS 319 Cb 0.63 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 3m81 h LYS 319 CO 0.04 -0.08 0.32 -0.22 -2.27 0.00 0.00 179.45 177.24 3m81 h LYS 320 N -0.13 0.99 -0.77 1.90 3.64 -1.36 -2.86 116.57 117.98 3m81 h LYS 320 Ca 0.20 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3m81 h LYS 320 Cb 0.43 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 3m81 h LYS 320 CO -0.48 0.78 0.43 1.25 -2.27 0.00 0.00 179.45 179.16 3m81 h LEU 321 N 0.95 0.95 -1.20 5.20 5.85 -0.28 -2.79 115.31 123.99 3m81 h LEU 321 Ca 0.23 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3m81 h LEU 321 Cb 0.13 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.91 3m81 h LEU 321 CO -0.03 0.77 0.00 0.49 -0.34 0.00 0.00 178.44 179.33 3m81 n PHE 322 N -4.45 0.19 -0.01 1.25 3.72 -0.19 -2.56 117.46 115.40 3m81 n PHE 322 Ca 0.07 -0.10 -0.03 0.00 -0.05 0.00 0.00 57.45 57.35 3m81 n PHE 322 Cb 0.08 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.50 3m81 n PHE 322 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3m81 n GLU 323 N 0.41 0.64 0.00 -1.08 1.02 -1.09 -5.07 120.64 115.48 3m81 n GLU 323 Ca 0.17 0.15 0.15 0.00 -0.02 0.00 0.00 57.16 57.60 3m81 n GLU 323 Cb 0.36 -1.71 0.66 0.00 -0.02 0.00 0.00 31.44 30.73 3m81 n GLU 323 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94