#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 -3.09 1.38 -1.74 -1.26 -5.00 117.46 107.90 3m81 n PHE 4 Ca 0.00 0.04 -0.09 0.00 -0.56 0.00 0.00 57.45 56.84 3m81 n PHE 4 Cb 0.00 -0.39 0.03 0.00 1.52 0.00 0.00 39.48 40.63 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 -2.02 1.03 -4.61 5.98 -0.08 -1.26 -5.05 116.55 110.55 3m81 n ASP 5 Ca 0.00 -1.70 -0.42 0.00 -1.51 0.00 0.00 54.79 51.15 3m81 n ASP 5 Cb 0.47 -0.17 0.00 0.00 2.34 0.00 0.00 41.12 43.76 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 2.41 -4.61 -2.67 4.77 -1.26 -4.95 117.00 110.70 3m81 n LEU 6 Ca 0.06 1.09 -0.37 0.00 -0.03 0.00 0.00 56.01 56.76 3m81 n LEU 6 Cb 0.27 -1.34 0.07 0.00 -2.33 0.00 0.00 43.42 40.08 3m81 n LEU 6 CO 0.17 -1.40 0.51 -2.65 -1.33 0.00 0.00 177.39 172.69 3m81 n PRO 7 N 0.35 0.68 -0.24 3.23 -0.02 -1.26 -4.65 135.00 133.09 3m81 n PRO 7 Ca 0.09 0.28 0.07 0.00 -2.02 0.00 0.00 63.50 61.92 3m81 n PRO 7 Cb 0.37 -2.17 0.33 0.00 -0.02 0.00 0.00 33.50 32.01 3m81 n PRO 7 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3m81 h LEU 8 N 0.09 0.73 -1.22 2.45 5.85 -1.99 -0.63 115.31 120.59 3m81 h LEU 8 Ca -0.48 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 3m81 h LEU 8 Cb 1.35 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 3m81 h LEU 8 CO 0.48 0.44 0.43 -0.08 -0.34 0.00 0.00 178.44 179.37 3m81 h GLU 9 N 0.81 0.96 0.08 1.25 4.22 -2.00 -1.58 114.58 118.32 3m81 h GLU 9 Ca 0.37 -0.08 -0.27 0.00 0.08 0.00 0.00 59.36 59.46 3m81 h GLU 9 Cb 0.38 -0.20 0.02 0.00 0.50 0.00 0.00 28.75 29.44 3m81 h GLU 9 CO -0.15 0.67 -1.14 0.93 -2.18 0.00 0.00 179.01 177.14 3m81 h GLU 10 N 0.97 0.49 -0.92 1.92 5.08 -1.53 -3.27 114.58 117.33 3m81 h GLU 10 Ca 0.26 -0.63 0.06 0.00 -1.00 0.00 0.00 59.36 58.05 3m81 h GLU 10 Cb -0.04 0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 3m81 h GLU 10 CO -0.05 1.26 0.58 -0.07 -1.00 0.00 0.00 179.01 179.73 3m81 h LEU 11 N 0.23 0.92 -1.66 1.33 3.38 -0.79 -1.34 115.31 117.37 3m81 h LEU 11 Ca -0.14 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3m81 h LEU 11 Cb 1.81 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.38 3m81 h LEU 11 CO 0.21 0.59 0.00 0.11 0.09 0.00 0.00 178.44 179.43 3m81 h LYS 12 N 1.05 0.00 -0.03 1.13 1.57 -1.35 -2.53 116.57 116.41 3m81 h LYS 12 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 3m81 h LYS 12 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3m81 h LYS 12 CO -0.17 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.34 3m81 n LYS 13 N -2.78 0.68 -2.33 3.15 5.02 -0.73 -5.01 118.16 116.17 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 0.19 -1.22 -0.02 0.00 -0.02 0.00 0.00 35.03 33.96 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 -0.93 2.43 -0.46 2.13 5.04 -0.59 -4.91 117.35 120.05 3m81 s TYR 14 Ca 0.14 0.71 0.05 0.00 -2.44 0.00 0.00 57.07 55.53 3m81 s TYR 14 Cb 0.09 -4.16 0.19 0.00 0.35 0.00 0.00 41.96 38.44 3m81 s TYR 14 CO 0.14 -2.03 0.43 0.54 -1.34 0.00 0.00 175.55 173.29 3m81 n ARG 15 N 7.84 0.68 -1.43 4.97 1.74 -1.26 -4.36 116.66 124.84 3m81 n ARG 15 Ca 0.16 -3.46 -0.33 0.00 -0.77 0.00 0.00 57.85 53.46 3m81 n ARG 15 Cb 0.47 -1.68 0.08 0.00 -1.02 0.00 0.00 32.46 30.31 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 -0.60 2.27 0.22 5.56 0.04 -1.26 -4.90 135.00 136.34 3m81 s PRO 16 Ca 0.33 1.47 -0.31 0.00 0.04 0.00 0.00 61.00 62.52 3m81 s PRO 16 Cb 0.07 -1.88 -0.11 0.00 0.04 0.00 0.00 34.50 32.61 3m81 s PRO 16 CO -0.16 -1.67 1.67 -2.00 0.04 0.00 0.00 177.00 174.87 3m81 s GLU 17 N -4.28 4.14 0.24 4.56 2.12 -1.26 -4.95 118.70 119.28 3m81 s GLU 17 Ca 0.68 2.56 -0.24 0.00 0.36 0.00 0.00 54.97 58.33 3m81 s GLU 17 Cb -0.23 -3.08 -0.09 0.00 0.26 0.00 0.00 34.13 31.00 3m81 s GLU 17 CO 0.48 -0.70 0.82 1.03 -0.54 0.00 0.00 175.26 176.34 3m81 s ARG 18 N 0.79 4.47 -0.18 4.30 0.52 -1.26 -5.06 118.95 122.54 3m81 s ARG 18 Ca 0.71 1.12 -0.01 0.00 -0.52 0.00 0.00 55.73 57.04 3m81 s ARG 18 Cb -0.48 -2.99 -0.00 0.00 0.52 0.00 0.00 34.95 32.00 3m81 s ARG 18 CO 0.35 0.42 -0.13 -0.47 0.02 0.00 0.00 175.30 175.49 3m81 s TYR 19 N -1.43 2.84 -0.01 -0.53 5.04 -1.26 -5.10 117.35 116.90 3m81 s TYR 19 Ca 0.43 -1.09 -0.19 0.00 -2.44 0.00 0.00 57.07 53.78 3m81 s TYR 19 Cb -0.20 -1.95 0.04 0.00 0.35 0.00 0.00 41.96 40.20 3m81 s TYR 19 CO 0.24 -0.53 0.41 -1.83 -1.34 0.00 0.00 175.55 172.50 3m81 s GLU 20 N 1.05 0.81 0.62 4.97 -1.05 -1.26 -4.85 118.70 119.00 3m81 s GLU 20 Ca -0.01 -0.14 -0.13 0.00 -0.15 0.00 0.00 54.97 54.55 3m81 s GLU 20 Cb -0.15 0.37 -0.03 0.00 -0.44 0.00 0.00 34.13 33.88 3m81 s GLU 20 CO -0.03 -0.25 1.04 -1.21 0.95 0.00 0.00 175.26 175.76 3m81 s GLU 21 N -1.57 3.37 0.48 -4.83 0.41 -1.26 -4.96 118.70 110.34 3m81 s GLU 21 Ca -0.11 0.94 0.22 0.00 -0.41 0.00 0.00 54.97 55.60 3m81 s GLU 21 Cb -0.03 -2.05 1.20 0.00 -1.78 0.00 0.00 34.13 31.47 3m81 s GLU 21 CO 0.04 -0.75 2.00 0.87 -0.49 0.00 0.00 175.26 176.93 3m81 h LYS 22 N -0.13 0.00 -0.76 1.61 1.57 -2.04 -2.36 116.57 114.46 3m81 h LYS 22 Ca -0.45 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.29 3m81 h LYS 22 Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 3m81 h LYS 22 CO 0.59 0.18 0.06 -0.40 -0.57 0.00 0.00 179.45 179.31 3m81 n ASP 23 N -3.88 4.08 -0.12 0.86 5.75 -1.26 -4.57 116.55 117.42 3m81 n ASP 23 Ca -0.02 -2.68 -0.11 0.00 -0.01 0.00 0.00 54.79 51.97 3m81 n ASP 23 Cb 0.27 -0.64 -0.05 0.00 -1.03 0.00 0.00 41.12 39.67 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 2.40 -1.31 -0.33 2.11 3.04 -1.80 0.12 116.94 121.16 3m81 h PHE 24 Ca 0.06 0.07 -0.11 0.00 3.98 0.00 0.00 57.97 61.96 3m81 h PHE 24 Cb 1.59 0.63 -0.01 0.00 2.56 0.00 0.00 35.95 40.72 3m81 h PHE 24 CO 0.78 -0.45 -0.25 -0.44 -2.02 0.00 0.00 178.31 175.92 3m81 h ASP 25 N -0.35 0.67 0.00 0.41 3.32 -1.86 -2.70 116.42 115.91 3m81 h ASP 25 Ca 0.12 -0.25 -0.14 0.00 0.02 0.00 0.00 57.03 56.79 3m81 h ASP 25 Cb 0.59 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3m81 h ASP 25 CO -0.56 0.91 -0.46 -0.33 -1.72 0.00 0.00 179.24 177.07 3m81 h GLU 26 N 0.58 0.54 -0.44 3.56 3.07 -1.78 0.59 114.58 120.70 3m81 h GLU 26 Ca 0.08 -0.30 0.02 0.00 -0.50 0.00 0.00 59.36 58.65 3m81 h GLU 26 Cb 0.74 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.64 3m81 h GLU 26 CO 0.06 0.89 0.27 0.35 -1.40 0.00 0.00 179.01 179.18 3m81 h PHE 27 N 0.44 0.51 -0.28 4.33 3.57 -0.55 -1.11 116.94 123.84 3m81 h PHE 27 Ca 0.03 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.37 3m81 h PHE 27 Cb 0.97 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 3m81 h PHE 27 CO 0.04 0.30 -0.52 -1.49 -2.23 0.00 0.00 178.31 174.41 3m81 h TRP 28 N 0.55 1.00 -0.21 0.41 4.06 -1.18 -1.34 115.95 119.23 3m81 h TRP 28 Ca 0.17 -0.35 0.00 0.00 2.06 0.00 0.00 58.89 60.78 3m81 h TRP 28 Cb -0.01 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 27.95 3m81 h TRP 28 CO -0.06 1.15 0.14 0.93 -3.56 0.00 0.00 178.44 177.04 3m81 h GLU 29 N 0.63 0.28 -0.68 0.49 5.08 -0.80 -1.03 114.58 118.55 3m81 h GLU 29 Ca 0.02 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 3m81 h GLU 29 Cb 1.11 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 3m81 h GLU 29 CO 0.11 0.20 0.19 0.93 -1.00 0.00 0.00 179.01 179.44 3m81 h GLU 30 N 0.28 1.07 -0.06 2.33 5.08 -1.20 -0.97 114.58 121.12 3m81 h GLU 30 Ca 0.08 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3m81 h GLU 30 Cb -0.02 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 3m81 h GLU 30 CO -0.02 0.94 0.03 1.15 -1.00 0.00 0.00 179.01 180.11 3m81 h THR 31 N 1.00 1.08 -0.18 1.13 2.02 -0.92 -0.84 112.91 116.20 3m81 h THR 31 Ca 0.22 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 3m81 h THR 31 Cb 0.33 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 3m81 h THR 31 CO -0.00 0.07 0.06 -0.07 0.37 0.00 0.00 175.52 175.94 3m81 h LEU 32 N 0.00 0.26 -0.53 2.58 3.38 -1.13 -2.55 115.31 117.32 3m81 h LEU 32 Ca 0.02 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 57.87 3m81 h LEU 32 Cb 0.08 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 3m81 h LEU 32 CO -0.00 0.39 0.19 0.00 0.09 0.00 0.00 178.44 179.11 3m81 h ALA 33 N 0.89 0.66 -0.64 1.53 0.00 -1.02 0.39 119.26 121.07 3m81 h ALA 33 Ca 0.06 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3m81 h ALA 33 Cb 0.22 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3m81 h ALA 33 CO -0.00 -0.21 0.40 0.93 0.00 0.00 0.00 179.25 180.37 3m81 h GLU 34 N 0.37 0.86 -0.00 0.00 5.08 -1.08 -2.78 114.58 117.03 3m81 h GLU 34 Ca 0.26 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 3m81 h GLU 34 Cb 0.29 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3m81 h GLU 34 CO -0.27 0.60 -0.48 0.77 -1.00 0.00 0.00 179.01 178.63 3m81 h SER 35 N 0.87 0.01 0.88 1.42 0.02 -0.95 -2.90 113.55 112.89 3m81 h SER 35 Ca 0.23 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3m81 h SER 35 Cb -0.05 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.48 3m81 h SER 35 CO -0.05 0.49 0.00 -0.33 -1.14 0.00 0.00 176.83 175.80 3m81 h GLU 36 N 0.01 0.00 0.00 3.45 5.08 -0.67 -2.49 114.58 119.96 3m81 h GLU 36 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3m81 h GLU 36 Cb 0.85 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 3m81 h GLU 36 CO 0.06 0.00 -0.02 0.87 -1.00 0.00 0.00 179.01 178.93 3m81 h LYS 37 N 0.00 0.00 -6.01 2.33 1.57 -1.37 -3.41 116.57 109.68 3m81 h LYS 37 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 3m81 h LYS 37 Cb 0.44 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 3m81 h LYS 37 CO 0.00 0.02 -0.20 -0.06 -0.57 0.00 0.00 179.45 178.64 3m81 s PHE 38 N -3.92 3.72 0.38 -1.35 0.40 -0.94 -5.05 117.98 111.22 3m81 s PHE 38 Ca -0.02 1.00 -0.27 0.00 -0.60 0.00 0.00 56.93 57.03 3m81 s PHE 38 Cb 0.11 -2.30 -0.10 0.00 0.51 0.00 0.00 43.02 41.24 3m81 s PHE 38 CO 0.49 0.63 1.37 -1.25 0.70 0.00 0.00 175.22 177.16 3m81 s PRO 39 N -1.02 4.12 0.22 0.24 0.04 -1.26 -4.92 135.00 132.41 3m81 s PRO 39 Ca 0.24 2.33 -0.08 0.00 0.04 0.00 0.00 61.00 63.52 3m81 s PRO 39 Cb -0.17 -2.92 0.23 0.00 0.04 0.00 0.00 34.50 31.68 3m81 s PRO 39 CO 0.13 -0.43 1.86 1.25 0.04 0.00 0.00 177.00 179.85 3m81 h LEU 40 N 2.98 0.81 -3.14 -3.56 5.85 -1.91 -3.43 115.31 112.92 3m81 h LEU 40 Ca -0.50 -0.00 -0.52 0.00 0.84 0.00 0.00 57.88 57.70 3m81 h LEU 40 Cb 1.24 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 3m81 h LEU 40 CO 0.64 0.56 -0.96 0.47 -0.34 0.00 0.00 178.44 178.81 3m81 n ASP 41 N -4.61 -3.42 -4.75 1.25 8.00 -1.26 -1.37 116.55 110.38 3m81 n ASP 41 Ca 0.09 -1.15 -0.41 0.00 0.71 0.00 0.00 54.79 54.04 3m81 n ASP 41 Cb 0.09 -2.53 -0.03 0.00 -0.02 0.00 0.00 41.12 38.63 3m81 n ASP 41 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3m81 s PRO 42 N -6.75 4.41 -0.12 -0.24 0.04 -1.26 -4.52 135.00 126.57 3m81 s PRO 42 Ca 0.36 2.06 0.01 0.00 0.04 0.00 0.00 61.00 63.46 3m81 s PRO 42 Cb -0.16 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.23 3m81 s PRO 42 CO 0.92 -0.18 -0.12 0.08 0.04 0.00 0.00 177.00 177.73 3m81 s VAL 43 N -0.29 1.35 -0.17 -0.36 1.01 0.15 -5.01 120.40 117.08 3m81 s VAL 43 Ca 0.54 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 3m81 s VAL 43 Cb -0.37 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.74 3m81 s VAL 43 CO 0.42 0.42 -0.13 -0.36 0.00 0.00 0.00 175.10 175.44 3m81 s PHE 44 N 1.34 2.83 -0.15 5.22 0.08 -1.26 -1.86 117.98 124.17 3m81 s PHE 44 Ca -0.00 -1.11 0.00 0.00 0.12 0.00 0.00 56.93 55.95 3m81 s PHE 44 Cb -0.14 -1.95 0.03 0.00 -0.57 0.00 0.00 43.02 40.40 3m81 s PHE 44 CO -0.06 -0.54 -0.10 -2.00 -0.10 0.00 0.00 175.22 172.42 3m81 s GLU 45 N 1.04 1.88 0.30 0.44 2.56 -0.41 -4.94 118.70 119.58 3m81 s GLU 45 Ca -0.01 -0.51 -0.29 0.00 0.00 0.00 0.00 54.97 54.16 3m81 s GLU 45 Cb -0.15 -2.00 -0.10 0.00 2.00 0.00 0.00 34.13 33.89 3m81 s GLU 45 CO -0.03 -0.31 1.24 0.50 -0.56 0.00 0.00 175.26 176.10 3m81 s ARG 46 N 1.56 4.45 -0.02 4.30 3.52 -1.26 -0.47 118.95 131.03 3m81 s ARG 46 Ca 0.03 2.08 -0.03 0.00 -0.13 0.00 0.00 55.73 57.68 3m81 s ARG 46 Cb -0.14 -3.12 -0.04 0.00 -1.56 0.00 0.00 34.95 30.10 3m81 s ARG 46 CO -0.09 -0.07 0.16 -1.64 -0.81 0.00 0.00 175.30 172.85 3m81 s MET 47 N -1.55 3.36 -0.01 5.12 -1.94 -0.25 -4.88 119.30 119.15 3m81 s MET 47 Ca 0.48 -0.34 -0.30 0.00 -1.71 0.00 0.00 55.69 53.82 3m81 s MET 47 Cb -0.37 -3.05 -0.05 0.00 2.01 0.00 0.00 34.83 33.36 3m81 s MET 47 CO 0.48 0.68 1.36 -1.21 -0.01 0.00 0.00 175.02 176.32 3m81 s GLU 48 N -1.81 4.30 0.02 2.03 2.02 -1.26 -4.77 118.70 119.22 3m81 s GLU 48 Ca 0.25 1.91 -0.14 0.00 0.02 0.00 0.00 54.97 57.01 3m81 s GLU 48 Cb -0.12 -3.56 0.02 0.00 0.10 0.00 0.00 34.13 30.56 3m81 s GLU 48 CO 0.16 -0.55 0.30 0.45 0.02 0.00 0.00 175.26 175.65 3m81 s SER 49 N 1.79 -0.15 0.00 -0.19 0.15 -1.26 -5.02 113.70 109.02 3m81 s SER 49 Ca 0.62 -0.07 0.29 0.00 0.70 0.00 0.00 55.95 57.49 3m81 s SER 49 Cb -0.30 0.33 1.24 0.00 -1.71 0.00 0.00 66.02 65.58 3m81 s SER 49 CO 0.26 -0.53 1.89 1.41 1.20 0.00 0.00 173.24 177.46 3m81 n HIS 50 N 0.92 0.00 -1.74 3.44 8.25 -1.26 -4.88 115.22 119.95 3m81 n HIS 50 Ca -0.20 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.84 3m81 n HIS 50 Cb 0.58 -0.30 -0.01 0.00 1.12 0.00 0.00 29.99 31.37 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 -1.25 4.29 -0.02 2.41 4.77 -1.26 -4.94 117.00 120.99 3m81 n LEU 51 Ca 0.12 1.16 -0.01 0.00 -0.03 0.00 0.00 56.01 57.24 3m81 n LEU 51 Cb 0.29 -1.58 -0.03 0.00 -2.33 0.00 0.00 43.42 39.77 3m81 n LEU 51 CO 0.26 0.07 -0.63 0.29 -1.33 0.00 0.00 177.39 176.05 3m81 n LYS 52 N 1.76 2.81 0.00 3.23 4.76 -1.26 -4.70 118.16 124.77 3m81 n LYS 52 Ca 0.07 -0.01 0.12 0.00 -2.87 0.00 0.00 58.31 55.62 3m81 n LYS 52 Cb 0.37 -1.11 0.12 0.00 -1.84 0.00 0.00 35.03 32.57 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 -2.08 0.00 -3.88 -0.18 -2.24 -1.26 -4.94 114.28 99.70 3m81 n THR 53 Ca -0.06 -0.33 -0.12 0.00 -2.27 0.00 0.00 64.05 61.27 3m81 n THR 53 Cb 0.56 1.19 -0.13 0.00 -2.10 0.00 0.00 70.33 69.85 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 -2.26 0.02 -0.07 2.28 1.01 -1.26 -1.48 120.40 118.64 3m81 s VAL 54 Ca 0.24 -0.17 -0.14 0.00 0.00 0.00 0.00 61.98 61.91 3m81 s VAL 54 Cb 0.19 -0.11 -0.05 0.00 0.00 0.00 0.00 36.38 36.41 3m81 s VAL 54 CO 0.45 -0.10 0.36 -1.61 0.00 0.00 0.00 175.10 174.20 3m81 s GLU 55 N -0.28 4.01 -0.10 2.72 2.02 0.11 -4.82 118.70 122.37 3m81 s GLU 55 Ca -0.03 0.28 0.03 0.00 0.02 0.00 0.00 54.97 55.27 3m81 s GLU 55 Cb -0.02 -3.30 -0.01 0.00 0.10 0.00 0.00 34.13 30.90 3m81 s GLU 55 CO -0.00 0.51 -0.19 0.00 0.02 0.00 0.00 175.26 175.60 3m81 s ALA 56 N -0.43 2.38 -0.05 5.21 0.00 -1.26 -0.32 121.76 127.28 3m81 s ALA 56 Ca 0.21 -0.96 0.07 0.00 0.00 0.00 0.00 51.96 51.28 3m81 s ALA 56 Cb -0.15 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 3m81 s ALA 56 CO 0.09 0.33 -0.25 0.71 0.00 0.00 0.00 175.76 176.65 3m81 s TYR 57 N 0.12 2.42 -0.08 0.00 1.51 0.13 -1.09 117.35 120.36 3m81 s TYR 57 Ca -0.10 -0.63 -0.30 0.00 -1.01 0.00 0.00 57.07 55.03 3m81 s TYR 57 Cb -0.16 -1.57 -0.03 0.00 -0.11 0.00 0.00 41.96 40.09 3m81 s TYR 57 CO 0.06 -0.16 1.22 0.34 -1.11 0.00 0.00 175.55 175.90 3m81 s ASP 58 N -0.30 7.02 0.01 2.29 -1.08 0.38 -1.02 116.67 123.97 3m81 s ASP 58 Ca 0.00 1.80 0.02 0.00 -0.52 0.00 0.00 52.55 53.85 3m81 s ASP 58 Cb -0.13 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.74 3m81 s ASP 58 CO 0.02 -0.63 -0.01 -0.69 0.52 0.00 0.00 175.17 174.38 3m81 s VAL 59 N 2.52 4.04 -0.02 1.11 1.01 -0.08 -1.28 120.40 127.69 3m81 s VAL 59 Ca 0.56 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 3m81 s VAL 59 Cb -0.24 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.34 3m81 s VAL 59 CO 0.20 0.35 0.05 -0.89 0.00 0.00 0.00 175.10 174.81 3m81 s THR 60 N -1.10 -0.02 0.24 3.92 2.01 -0.78 -1.48 115.64 118.43 3m81 s THR 60 Ca 0.20 0.09 -0.12 0.00 0.31 0.00 0.00 61.69 62.17 3m81 s THR 60 Cb -0.11 -0.10 -0.01 0.00 0.01 0.00 0.00 72.50 72.29 3m81 s THR 60 CO 0.11 0.04 0.46 0.72 -0.69 0.00 0.00 174.62 175.25 3m81 s PHE 61 N 0.50 0.39 -0.26 4.92 -0.71 -0.67 -0.67 117.98 121.47 3m81 s PHE 61 Ca -0.04 -0.74 -0.12 0.00 -1.04 0.00 0.00 56.93 54.98 3m81 s PHE 61 Cb -0.06 0.16 -0.05 0.00 -1.21 0.00 0.00 43.02 41.87 3m81 s PHE 61 CO -0.02 -0.97 0.26 -1.12 -1.34 0.00 0.00 175.22 172.03 3m81 s SER 62 N -3.02 6.14 0.00 1.98 0.01 -0.47 -0.47 113.70 117.87 3m81 s SER 62 Ca 0.23 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.63 3m81 s SER 62 Cb -0.00 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.07 3m81 s SER 62 CO 0.09 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.27 3m81 n GLY 63 N 4.73 0.59 3.67 3.44 0.00 0.25 -4.80 105.19 113.07 3m81 n GLY 63 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 3.47 1.57 -1.55 1.61 5.04 -1.26 -3.33 117.35 122.89 3m81 s TYR 64 Ca 0.00 -0.33 -0.13 0.00 -2.44 0.00 0.00 57.07 54.17 3m81 s TYR 64 Cb 0.00 -4.24 0.09 0.00 0.35 0.00 0.00 41.96 38.17 3m81 s TYR 64 CO 0.00 -5.39 0.86 0.54 -1.34 0.00 0.00 175.55 170.22 3m81 n ARG 65 N 6.88 -4.61 -0.95 4.97 1.74 -1.26 -1.52 116.66 121.90 3m81 n ARG 65 Ca 0.19 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.79 3m81 n ARG 65 Cb 0.40 -5.27 0.00 0.00 -1.02 0.00 0.00 32.46 26.57 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 -1.62 0.43 3.76 -0.13 0.00 -1.21 -5.00 105.19 101.42 3m81 n GLY 66 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.56 4.61 -0.33 1.61 -0.21 -0.57 -4.67 119.66 119.54 3m81 s GLN 67 Ca 0.00 1.68 -0.18 0.00 0.02 0.00 0.00 55.36 56.88 3m81 s GLN 67 Cb 0.00 -3.09 -0.01 0.00 1.00 0.00 0.00 33.01 30.91 3m81 s GLN 67 CO 0.00 0.22 0.53 1.03 -2.12 0.00 0.00 175.29 174.95 3m81 s ARG 68 N -1.57 3.75 -0.11 2.91 1.81 -1.26 -0.58 118.95 123.89 3m81 s ARG 68 Ca 0.46 -0.01 -0.02 0.00 -1.72 0.00 0.00 55.73 54.45 3m81 s ARG 68 Cb -0.29 -3.77 -0.03 0.00 -0.45 0.00 0.00 34.95 30.42 3m81 s ARG 68 CO 0.37 -0.58 -0.05 0.42 -0.68 0.00 0.00 175.30 174.78 3m81 s ILE 69 N 2.41 3.81 0.55 1.52 -1.09 0.39 -4.84 121.20 123.94 3m81 s ILE 69 Ca 0.20 -0.41 -0.06 0.00 -2.23 0.00 0.00 60.65 58.15 3m81 s ILE 69 Cb -0.15 -2.62 -0.02 0.00 -1.58 0.00 0.00 42.46 38.09 3m81 s ILE 69 CO 0.12 0.55 0.87 -0.54 -1.23 0.00 0.00 174.94 174.71 3m81 s LYS 70 N -0.20 3.28 0.23 2.79 -0.14 -1.26 -1.67 119.74 122.77 3m81 s LYS 70 Ca 0.03 0.18 -0.20 0.00 -1.36 0.00 0.00 55.97 54.62 3m81 s LYS 70 Cb -0.13 -2.29 0.07 0.00 -1.68 0.00 0.00 37.83 33.80 3m81 s LYS 70 CO 0.03 -0.47 0.99 0.20 -0.76 0.00 0.00 175.35 175.34 3m81 s GLY 71 N -4.20 0.20 0.01 -3.33 0.00 -0.55 -1.97 107.32 97.48 3m81 s GLY 71 Ca 0.51 -0.46 0.08 0.00 0.00 0.00 0.00 44.72 44.85 3m81 s GLY 71 CO 0.46 2.01 -0.25 -0.98 0.00 0.00 0.00 173.10 174.34 3m81 s TRP 72 N -2.12 2.23 -0.20 1.90 0.23 -0.64 -0.91 118.94 119.44 3m81 s TRP 72 Ca 0.21 -0.41 -0.01 0.00 -2.03 0.00 0.00 56.10 53.85 3m81 s TRP 72 Cb -0.03 -1.39 0.00 0.00 0.03 0.00 0.00 33.47 32.08 3m81 s TRP 72 CO 0.07 0.04 -0.12 -1.17 0.96 0.00 0.00 176.95 176.73 3m81 s LEU 73 N -0.89 2.53 -0.23 2.99 2.96 -0.19 -0.39 118.68 125.46 3m81 s LEU 73 Ca 0.10 -0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 53.45 3m81 s LEU 73 Cb -0.10 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 3m81 s LEU 73 CO 0.00 -0.00 0.01 -0.76 -1.32 0.00 0.00 176.35 174.28 3m81 s LEU 74 N 1.34 3.18 -0.25 -0.68 1.02 -0.11 -0.70 118.68 122.48 3m81 s LEU 74 Ca 0.05 -0.28 -0.01 0.00 0.02 0.00 0.00 54.13 53.90 3m81 s LEU 74 Cb -0.14 -1.83 0.03 0.00 0.02 0.00 0.00 46.19 44.27 3m81 s LEU 74 CO -0.07 -0.00 -0.06 -0.69 0.02 0.00 0.00 176.35 175.55 3m81 s VAL 75 N 1.41 2.85 0.38 -1.59 1.01 0.56 -0.93 120.40 124.08 3m81 s VAL 75 Ca 0.05 -1.08 -0.26 0.00 0.00 0.00 0.00 61.98 60.69 3m81 s VAL 75 Cb -0.15 -2.47 -0.09 0.00 0.00 0.00 0.00 36.38 33.67 3m81 s VAL 75 CO 0.01 0.16 1.14 -2.16 0.00 0.00 0.00 175.10 174.25 3m81 s PRO 76 N 1.31 4.18 -0.95 2.72 0.04 -1.26 0.07 135.00 141.11 3m81 s PRO 76 Ca -0.01 1.79 -0.24 0.00 0.04 0.00 0.00 61.00 62.59 3m81 s PRO 76 Cb -0.17 -2.75 0.02 0.00 0.04 0.00 0.00 34.50 31.64 3m81 s PRO 76 CO -0.04 -0.20 1.60 0.15 0.04 0.00 0.00 177.00 178.55 3m81 s LYS 77 N -2.18 3.21 0.16 4.56 1.02 -0.55 -4.84 119.74 121.12 3m81 s LYS 77 Ca 0.55 -0.73 0.05 0.00 0.02 0.00 0.00 55.97 55.86 3m81 s LYS 77 Cb -0.30 -5.14 -0.05 0.00 -0.52 0.00 0.00 37.83 31.83 3m81 s LYS 77 CO 0.38 -2.58 -0.10 -0.51 -0.92 0.00 0.00 175.35 171.62 3m81 s LEU 78 N 6.75 2.51 0.20 3.17 1.43 -1.26 -5.00 118.68 126.48 3m81 s LEU 78 Ca 0.53 -1.03 -0.11 0.00 -1.03 0.00 0.00 54.13 52.49 3m81 s LEU 78 Cb -0.03 -0.37 0.14 0.00 0.03 0.00 0.00 46.19 45.95 3m81 s LEU 78 CO -0.04 -0.33 1.85 -0.08 0.23 0.00 0.00 176.35 177.98 3m81 h GLU 79 N 2.73 0.96 -6.55 1.70 4.22 -2.02 -3.45 114.58 112.17 3m81 h GLU 79 Ca -0.37 -0.08 -0.59 0.00 0.08 0.00 0.00 59.36 58.41 3m81 h GLU 79 Cb 1.20 -0.21 0.07 0.00 0.50 0.00 0.00 28.75 30.31 3m81 h GLU 79 CO 0.63 0.67 0.67 -1.91 -2.18 0.00 0.00 179.01 176.89 3m81 n GLU 80 N -4.55 2.04 -0.16 1.92 2.13 -1.26 -4.90 120.64 115.86 3m81 n GLU 80 Ca 0.06 0.73 -0.10 0.00 0.66 0.00 0.00 57.16 58.51 3m81 n GLU 80 Cb 0.04 -2.42 -0.00 0.00 0.27 0.00 0.00 31.44 29.33 3m81 n GLU 80 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3m81 h GLU 81 N 4.79 0.81 -5.76 5.31 3.07 -1.95 -3.43 114.58 117.42 3m81 h GLU 81 Ca -0.45 -0.24 -0.68 0.00 -0.50 0.00 0.00 59.36 57.49 3m81 h GLU 81 Cb 1.27 -0.08 -0.29 0.00 -0.84 0.00 0.00 28.75 28.81 3m81 h GLU 81 CO 0.80 0.84 -0.82 0.15 -1.40 0.00 0.00 179.01 178.58 3m81 s LYS 82 N -5.08 2.87 0.13 2.33 -0.14 -1.26 -4.63 119.74 113.97 3m81 s LYS 82 Ca -0.13 -0.79 0.10 0.00 -1.36 0.00 0.00 55.97 53.79 3m81 s LYS 82 Cb 0.11 -2.37 -0.04 0.00 -1.68 0.00 0.00 37.83 33.85 3m81 s LYS 82 CO 0.81 0.35 -0.23 -0.51 -0.76 0.00 0.00 175.35 175.01 3m81 s LEU 83 N -0.05 2.35 0.91 3.17 1.43 0.36 -4.82 118.68 122.04 3m81 s LEU 83 Ca -0.05 -0.76 -0.12 0.00 -1.03 0.00 0.00 54.13 52.17 3m81 s LEU 83 Cb -0.14 -1.01 0.14 0.00 0.03 0.00 0.00 46.19 45.20 3m81 s LEU 83 CO 0.04 0.09 1.10 -2.16 0.23 0.00 0.00 176.35 175.65 3m81 s PRO 84 N -2.21 1.16 -0.03 1.29 0.04 -1.26 -0.63 135.00 133.35 3m81 s PRO 84 Ca 0.12 0.67 -0.01 0.00 0.04 0.00 0.00 61.00 61.82 3m81 s PRO 84 Cb -0.09 -1.81 0.03 0.00 0.04 0.00 0.00 34.50 32.67 3m81 s PRO 84 CO 0.06 -2.27 0.07 0.00 0.04 0.00 0.00 177.00 174.90 3m81 s VAL 86 N 0.82 3.68 -0.38 0.00 1.01 0.58 0.01 120.40 126.12 3m81 s VAL 86 Ca -0.07 -0.46 -0.21 0.00 0.00 0.00 0.00 61.98 61.24 3m81 s VAL 86 Cb -0.09 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.56 3m81 s VAL 86 CO -0.03 0.34 0.66 -0.69 0.00 0.00 0.00 175.10 175.38 3m81 s VAL 87 N 1.51 4.85 -0.19 2.92 1.01 0.36 -0.73 120.40 130.13 3m81 s VAL 87 Ca 0.05 0.52 -0.05 0.00 0.00 0.00 0.00 61.98 62.50 3m81 s VAL 87 Cb -0.15 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 3m81 s VAL 87 CO -0.01 -0.39 0.01 -1.58 0.00 0.00 0.00 175.10 173.13 3m81 s GLN 88 N 2.79 3.71 0.15 2.72 2.00 0.15 -0.83 119.66 130.34 3m81 s GLN 88 Ca 0.25 -0.48 0.04 0.00 -2.00 0.00 0.00 55.36 53.17 3m81 s GLN 88 Cb -0.14 -3.09 -0.04 0.00 0.80 0.00 0.00 33.01 30.54 3m81 s GLN 88 CO 0.16 0.10 0.15 0.71 -0.50 0.00 0.00 175.29 175.91 3m81 s TYR 89 N 0.79 3.21 0.02 1.67 2.02 -0.01 -1.78 117.35 123.27 3m81 s TYR 89 Ca 0.01 0.02 0.03 0.00 -0.37 0.00 0.00 57.07 56.76 3m81 s TYR 89 Cb -0.14 -1.55 -0.04 0.00 -0.40 0.00 0.00 41.96 39.83 3m81 s TYR 89 CO 0.02 0.52 -0.05 0.42 -1.57 0.00 0.00 175.55 174.89 3m81 s ILE 90 N -1.70 3.74 0.91 2.71 1.01 -1.26 -4.41 121.20 122.20 3m81 s ILE 90 Ca 0.31 -0.81 -0.11 0.00 0.00 0.00 0.00 60.65 60.05 3m81 s ILE 90 Cb -0.11 -2.66 0.14 0.00 0.01 0.00 0.00 42.46 39.85 3m81 s ILE 90 CO 0.24 0.34 1.10 -0.83 0.00 0.00 0.00 174.94 175.79 3m81 s GLY 91 N -1.59 1.64 0.26 6.18 0.00 -1.26 -3.17 107.32 109.38 3m81 s GLY 91 Ca 0.19 0.16 -0.30 0.00 0.00 0.00 0.00 44.72 44.77 3m81 s GLY 91 CO 0.09 0.64 1.26 2.98 0.00 0.00 0.00 173.10 178.07 3m81 n TYR 92 N -4.04 1.87 -1.00 1.90 9.36 -1.26 -1.40 117.16 122.58 3m81 n TYR 92 Ca 0.08 0.55 0.00 0.00 3.32 0.00 0.00 57.90 61.85 3m81 n TYR 92 Cb 0.54 -2.38 0.00 0.00 -0.63 0.00 0.00 39.34 36.87 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 1.66 -4.64 -4.95 2.98 3.02 -1.26 -4.85 115.26 107.21 3m81 n ASN 93 Ca 0.10 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.46 3m81 n ASN 93 Cb 0.31 -2.17 -0.00 0.00 -0.61 0.00 0.00 39.78 37.31 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 -2.00 2.03 0.11 7.41 0.00 -0.50 -0.69 107.32 113.68 3m81 s GLY 94 Ca 0.00 -1.79 -0.02 0.00 0.00 0.00 0.00 44.72 42.91 3m81 s GLY 94 CO 0.00 -1.62 0.18 0.61 0.00 0.00 0.00 173.10 172.27 3m81 n GLY 95 N -1.76 2.37 0.20 0.20 0.00 -0.84 -1.28 105.19 104.07 3m81 n GLY 95 Ca 0.06 -1.30 0.14 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.83 -3.43 114.38 110.84 3m81 h ARG 96 Ca -0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.99 3m81 h ARG 96 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 3m81 h ARG 96 CO 0.11 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.59 3m81 n GLY 97 N -0.16 2.91 3.87 0.08 0.00 -0.17 -4.64 105.19 107.08 3m81 n GLY 97 Ca 0.01 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 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 3.24 0.29 1.61 0.08 -1.26 -4.95 117.98 116.98 3m81 s PHE 98 Ca 0.00 -0.06 0.02 0.00 0.12 0.00 0.00 56.93 57.01 3m81 s PHE 98 Cb 0.00 -1.48 0.59 0.00 -0.57 0.00 0.00 43.02 41.56 3m81 s PHE 98 CO 0.00 0.50 1.83 -1.35 -0.10 0.00 0.00 175.22 176.10 3m81 h PRO 99 N 1.54 0.93 0.00 0.24 0.11 -2.00 -1.81 132.00 131.00 3m81 h PRO 99 Ca -0.49 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3m81 h PRO 99 Cb 1.23 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3m81 h PRO 99 CO 0.62 0.61 0.00 -2.39 -0.21 0.00 0.00 178.00 176.63 3m81 n HIS 100 N -4.62 0.00 1.67 0.65 1.44 -1.26 -2.15 115.22 110.95 3m81 n HIS 100 Ca 0.19 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 56.05 3m81 n HIS 100 Cb 0.38 0.00 0.82 0.00 0.12 0.00 0.00 29.99 31.31 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 -0.93 0.08 -2.54 4.39 8.00 -0.68 -4.25 116.55 120.62 3m81 n ASP 101 Ca 0.14 -0.58 -0.13 0.00 0.71 0.00 0.00 54.79 54.93 3m81 n ASP 101 Cb 0.07 -0.14 0.03 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.10 2.00 0.99 1.24 7.02 -0.91 -4.90 117.44 121.78 3m81 n TRP 102 Ca 0.19 -2.54 0.14 0.00 -1.02 0.00 0.00 57.50 54.27 3m81 n TRP 102 Cb 0.19 -0.27 0.59 0.00 -2.42 0.00 0.00 31.31 29.41 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 -0.45 0.06 0.40 -0.99 4.77 -1.26 -4.32 117.00 115.21 3m81 n LEU 103 Ca 0.22 0.47 -0.16 0.00 -0.03 0.00 0.00 56.01 56.52 3m81 n LEU 103 Cb 0.81 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 41.35 3m81 n LEU 103 CO 0.25 0.00 0.53 0.15 -1.33 0.00 0.00 177.39 176.99 3m81 h PHE 104 N 0.00 -0.95 -0.54 -1.77 3.57 -1.95 -1.39 116.94 113.91 3m81 h PHE 104 Ca 0.00 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 3m81 h PHE 104 Cb 0.51 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 3m81 h PHE 104 CO 0.00 -0.59 0.22 -1.49 -2.23 0.00 0.00 178.31 174.22 3m81 h TRP 105 N -1.03 0.82 -0.85 0.41 4.06 -1.89 -2.11 115.95 115.37 3m81 h TRP 105 Ca -0.10 -0.06 0.05 0.00 2.06 0.00 0.00 58.89 60.83 3m81 h TRP 105 Cb 0.79 -0.25 -0.06 0.00 -1.00 0.00 0.00 29.16 28.64 3m81 h TRP 105 CO 0.06 0.67 0.53 -1.35 -3.56 0.00 0.00 178.44 174.79 3m81 h PRO 106 N 0.74 0.97 0.00 0.49 0.11 -1.53 -0.57 132.00 132.21 3m81 h PRO 106 Ca 0.18 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 3m81 h PRO 106 Cb 0.19 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 3m81 h PRO 106 CO -0.02 0.64 -0.04 0.77 -0.21 0.00 0.00 178.00 179.15 3m81 h SER 107 N 1.00 0.00 -0.18 -2.05 0.02 -0.67 0.74 113.55 112.41 3m81 h SER 107 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3m81 h SER 107 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3m81 h SER 107 CO -0.15 0.04 0.00 0.23 -1.14 0.00 0.00 176.83 175.81 3m81 n MET 108 N -4.49 1.60 -0.96 3.45 2.81 -0.36 -4.90 117.12 114.27 3m81 n MET 108 Ca -0.03 -0.73 0.00 0.00 -1.81 0.00 0.00 57.70 55.13 3m81 n MET 108 Cb 0.12 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 0.63 0.41 3.64 3.03 0.00 0.25 -5.05 105.19 108.11 3m81 n GLY 109 Ca 0.07 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 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 3.10 0.32 1.61 1.51 -0.37 -4.46 117.35 117.06 3m81 s TYR 110 Ca 0.00 0.10 -0.29 0.00 -1.01 0.00 0.00 57.07 55.87 3m81 s TYR 110 Cb 0.00 -1.79 -0.10 0.00 -0.11 0.00 0.00 41.96 39.96 3m81 s TYR 110 CO 0.00 0.38 1.24 0.42 -1.11 0.00 0.00 175.55 176.48 3m81 s ILE 111 N -0.71 2.96 -0.14 2.71 1.01 -0.07 -2.72 121.20 124.25 3m81 s ILE 111 Ca 0.11 0.96 0.00 0.00 0.00 0.00 0.00 60.65 61.73 3m81 s ILE 111 Cb -0.12 -3.61 0.02 0.00 0.01 0.00 0.00 42.46 38.77 3m81 s ILE 111 CO 0.02 0.22 -0.13 0.00 0.00 0.00 0.00 174.94 175.06 3m81 s PHE 113 N 1.48 3.20 -0.30 0.00 2.19 0.09 -0.94 117.98 123.71 3m81 s PHE 113 Ca 0.04 -1.00 -0.10 0.00 0.33 0.00 0.00 56.93 56.20 3m81 s PHE 113 Cb -0.13 -2.32 -0.03 0.00 -1.31 0.00 0.00 43.02 39.24 3m81 s PHE 113 CO -0.09 -0.60 0.17 0.08 1.83 0.00 0.00 175.22 176.61 3m81 s VAL 114 N 1.51 4.92 -0.24 3.12 1.01 0.47 0.31 120.40 131.50 3m81 s VAL 114 Ca 0.02 -0.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.64 3m81 s VAL 114 Cb -0.18 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 3m81 s VAL 114 CO 0.04 0.15 0.61 -0.32 0.00 0.00 0.00 175.10 175.58 3m81 s MET 115 N 1.68 4.14 0.52 2.72 1.75 -0.73 -1.62 119.30 127.75 3m81 s MET 115 Ca 0.06 0.54 -0.22 0.00 -1.25 0.00 0.00 55.69 54.82 3m81 s MET 115 Cb -0.16 -3.62 -0.06 0.00 2.84 0.00 0.00 34.83 33.83 3m81 s MET 115 CO 0.08 -0.34 1.27 0.34 -0.65 0.00 0.00 175.02 175.72 3m81 s ASP 116 N 1.38 5.58 -0.31 1.11 2.15 -0.83 -4.45 116.67 121.29 3m81 s ASP 116 Ca 0.26 2.54 -0.10 0.00 0.43 0.00 0.00 52.55 55.69 3m81 s ASP 116 Cb -0.16 -2.62 -0.01 0.00 -0.30 0.00 0.00 42.92 39.83 3m81 s ASP 116 CO 0.09 -1.34 0.16 -0.89 -0.17 0.00 0.00 175.17 173.02 3m81 s THR 117 N -1.43 4.73 -0.19 1.71 2.01 -1.26 -4.78 115.64 116.42 3m81 s THR 117 Ca 0.70 -0.33 -0.39 0.00 0.31 0.00 0.00 61.69 61.97 3m81 s THR 117 Cb -0.35 -3.39 -0.16 0.00 0.01 0.00 0.00 72.50 68.62 3m81 s THR 117 CO 0.41 0.09 1.68 -2.11 -0.69 0.00 0.00 174.62 173.99 3m81 n ARG 118 N 5.00 1.23 -0.72 4.92 1.85 -1.26 -2.39 116.66 125.29 3m81 n ARG 118 Ca -0.14 0.45 0.00 0.00 -1.00 0.00 0.00 57.85 57.16 3m81 n ARG 118 Cb 0.50 -2.14 0.00 0.00 -1.05 0.00 0.00 32.46 29.77 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 3.88 1.50 0.00 2.89 0.00 0.15 -4.58 105.19 109.04 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 -3.27 1.61 6.02 -1.00 -4.89 117.38 113.85 3m81 n GLN 120 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.76 3m81 n GLN 120 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 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 -0.50 0.00 1.08 0.00 -0.41 -4.71 105.19 105.66 3m81 n GLY 121 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.39 0.17 -0.07 1.61 7.64 -1.15 -1.52 113.62 117.91 3m81 n SER 122 Ca -0.05 -0.97 -0.06 0.00 1.01 0.00 0.00 58.87 58.80 3m81 n SER 122 Cb 0.57 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.75 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 0.00 -0.69 0.00 0.23 0.00 0.13 -4.87 105.19 99.99 3m81 n GLY 123 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.21 0.00 -3.69 1.61 4.27 -1.11 -5.04 117.44 109.26 3m81 n TRP 124 Ca -0.09 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.41 3m81 n TRP 124 Cb 0.34 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.20 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 -1.54 -0.14 0.63 5.67 2.96 -1.26 -5.03 118.68 119.97 3m81 s LEU 125 Ca 0.00 1.01 -0.18 0.00 -0.22 0.00 0.00 54.13 54.74 3m81 s LEU 125 Cb 0.00 1.60 -0.02 0.00 0.50 0.00 0.00 46.19 48.27 3m81 s LEU 125 CO 0.00 -0.19 1.24 -1.59 -1.32 0.00 0.00 176.35 174.49 3m81 s LYS 126 N 1.08 2.69 0.23 1.98 -2.85 -1.26 -1.98 119.74 119.63 3m81 s LYS 126 Ca -0.07 1.90 0.03 0.00 -1.00 0.00 0.00 55.97 56.83 3m81 s LYS 126 Cb -0.06 -1.88 -0.05 0.00 -2.06 0.00 0.00 37.83 33.77 3m81 s LYS 126 CO -0.10 -1.45 0.01 0.20 0.10 0.00 0.00 175.35 174.12 3m81 s GLY 127 N -1.60 1.53 0.00 0.59 0.00 -0.58 -1.00 107.32 106.26 3m81 s GLY 127 Ca 0.79 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 43.75 3m81 s GLY 127 CO 0.37 -1.63 0.44 1.22 0.00 0.00 0.00 173.10 173.49 3m81 n ASP 128 N -0.40 0.61 -4.38 1.64 8.00 -1.26 -4.88 116.55 115.87 3m81 n ASP 128 Ca -0.05 -1.19 -0.34 0.00 0.71 0.00 0.00 54.79 53.92 3m81 n ASP 128 Cb 0.64 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.61 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 -0.19 3.51 0.71 -3.53 2.01 -1.26 -4.92 115.64 111.96 3m81 s THR 129 Ca 0.00 -0.47 -0.11 0.00 0.31 0.00 0.00 61.69 61.42 3m81 s THR 129 Cb 0.00 -2.56 0.02 0.00 0.01 0.00 0.00 72.50 69.97 3m81 s THR 129 CO 0.00 0.46 1.09 -2.16 -0.69 0.00 0.00 174.62 173.32 3m81 s PRO 130 N 0.95 2.83 0.37 4.92 0.04 -1.26 0.34 135.00 143.20 3m81 s PRO 130 Ca -0.00 0.43 -0.06 0.00 0.04 0.00 0.00 61.00 61.41 3m81 s PRO 130 Cb -0.15 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 3m81 s PRO 130 CO 0.01 -1.04 0.67 0.34 0.04 0.00 0.00 177.00 177.01 3m81 s ASP 131 N -4.37 6.40 -0.31 6.66 2.15 -1.26 -4.00 116.67 121.94 3m81 s ASP 131 Ca 0.58 0.84 -0.02 0.00 0.43 0.00 0.00 52.55 54.38 3m81 s ASP 131 Cb -0.11 -2.20 0.11 0.00 -0.30 0.00 0.00 42.92 40.42 3m81 s ASP 131 CO 0.51 -0.36 0.13 -0.31 -0.17 0.00 0.00 175.17 174.98 3m81 s TYR 132 N -2.36 1.01 0.70 -5.34 1.51 -1.26 -4.92 117.35 106.69 3m81 s TYR 132 Ca 0.46 -1.37 -0.11 0.00 -1.01 0.00 0.00 57.07 55.04 3m81 s TYR 132 Cb -0.10 -1.29 0.01 0.00 -0.11 0.00 0.00 41.96 40.47 3m81 s TYR 132 CO 0.35 -0.85 1.06 -1.25 -1.11 0.00 0.00 175.55 173.76 3m81 s PRO 133 N 1.73 2.86 -1.04 -1.71 0.04 -1.26 -4.93 135.00 130.69 3m81 s PRO 133 Ca 0.11 0.99 -0.22 0.00 0.04 0.00 0.00 61.00 61.92 3m81 s PRO 133 Cb -0.18 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.28 3m81 s PRO 133 CO -0.27 -1.16 1.92 0.39 0.04 0.00 0.00 177.00 177.92 3m81 n GLU 134 N -3.15 1.65 0.00 4.56 -0.58 -1.26 -4.86 120.64 116.99 3m81 n GLU 134 Ca 0.08 -2.28 0.00 0.00 -0.42 0.00 0.00 57.16 54.54 3m81 n GLU 134 Cb 0.53 -3.42 0.00 0.00 -0.57 0.00 0.00 31.44 27.99 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 5.29 0.65 3.77 0.62 0.00 -1.26 -4.80 105.19 109.45 3m81 n GLY 135 Ca 0.47 0.58 -0.40 0.00 0.00 0.00 0.00 46.02 46.68 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 4.57 -0.75 1.61 0.05 -1.26 -5.00 135.00 134.22 3m81 s PRO 136 Ca 0.00 1.17 -0.15 0.00 0.05 0.00 0.00 61.00 62.06 3m81 s PRO 136 Cb 0.00 -3.28 0.18 0.00 0.05 0.00 0.00 34.50 31.45 3m81 s PRO 136 CO 0.00 0.51 0.74 0.08 0.05 0.00 0.00 177.00 178.38 3m81 s VAL 137 N -0.94 5.35 0.85 -0.36 1.01 -1.26 -5.01 120.40 120.04 3m81 s VAL 137 Ca 0.37 -2.01 -0.15 0.00 0.00 0.00 0.00 61.98 60.19 3m81 s VAL 137 Cb -0.23 -4.47 -0.01 0.00 0.00 0.00 0.00 36.38 31.67 3m81 s VAL 137 CO 0.26 -1.05 0.39 0.47 0.00 0.00 0.00 175.10 175.17 3m81 n ASP 138 N 4.77 -1.90 -4.53 3.32 9.92 -1.26 -4.89 116.55 121.98 3m81 n ASP 138 Ca 0.06 0.44 -0.55 0.00 -0.53 0.00 0.00 54.79 54.22 3m81 n ASP 138 Cb 0.45 -1.19 -0.06 0.00 -0.64 0.00 0.00 41.12 39.68 3m81 n ASP 138 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 3m81 n PRO 139 N -1.02 0.49 -3.76 -0.24 -0.02 -1.26 -4.77 135.00 124.42 3m81 n PRO 139 Ca 0.08 0.18 -0.10 0.00 -2.02 0.00 0.00 63.50 61.64 3m81 n PRO 139 Cb 0.52 -1.68 -0.06 0.00 -0.02 0.00 0.00 33.50 32.27 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 0.01 1.05 0.35 -0.52 -2.07 -1.26 -4.86 119.66 112.35 3m81 s GLN 140 Ca 0.85 -0.87 -0.25 0.00 -1.82 0.00 0.00 55.36 53.27 3m81 s GLN 140 Cb -1.09 0.42 -0.10 0.00 -1.09 0.00 0.00 33.01 31.15 3m81 s GLN 140 CO 0.53 -0.39 0.95 -0.47 -1.32 0.00 0.00 175.29 174.59 3m81 s TYR 141 N -3.85 3.60 -0.06 9.60 5.04 -1.26 -4.99 117.35 125.43 3m81 s TYR 141 Ca 0.06 1.74 -0.39 0.00 -2.44 0.00 0.00 57.07 56.04 3m81 s TYR 141 Cb 0.03 -2.92 -0.18 0.00 0.35 0.00 0.00 41.96 39.24 3m81 s TYR 141 CO -0.09 0.10 1.36 -2.30 -1.34 0.00 0.00 175.55 173.27 3m81 n PRO 142 N 0.30 0.70 0.00 4.97 -0.02 -1.26 -4.68 135.00 135.00 3m81 n PRO 142 Ca 0.03 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3m81 n PRO 142 Cb 0.51 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 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 2.65 0.37 0.00 -1.23 0.00 -1.26 -4.86 105.19 100.86 3m81 n GLY 143 Ca 0.21 -2.29 0.05 0.00 0.00 0.00 0.00 46.02 43.99 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 0.00 0.00 0.20 1.61 3.72 -1.26 -4.51 117.46 117.22 3m81 n PHE 144 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.44 3m81 n PHE 144 Cb 0.00 -0.16 0.40 0.00 -0.94 0.00 0.00 39.48 38.78 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 -0.21 -1.08 2.86 -1.90 -2.92 114.93 111.69 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 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 3m81 h MET 145 CO 0.00 0.34 0.00 0.25 1.06 0.00 0.00 176.91 178.56 3m81 n THR 146 N -4.03 0.49 -2.01 2.22 -2.24 -1.26 -4.85 114.28 102.60 3m81 n THR 146 Ca -0.02 -0.74 -0.41 0.00 -2.27 0.00 0.00 64.05 60.61 3m81 n THR 146 Cb 0.39 0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 69.48 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 -1.05 3.04 0.00 -0.78 3.52 -1.10 -2.34 118.95 120.24 3m81 s ARG 147 Ca 0.21 1.12 0.00 0.00 -0.13 0.00 0.00 55.73 56.93 3m81 s ARG 147 Cb 0.13 -4.27 0.00 0.00 -1.56 0.00 0.00 34.95 29.24 3m81 s ARG 147 CO 0.17 -2.22 0.00 0.41 -0.81 0.00 0.00 175.30 172.85 3m81 n GLY 148 N 5.53 0.45 0.16 8.12 0.00 -1.26 -1.59 105.19 116.60 3m81 n GLY 148 Ca 0.22 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.66 3m81 n GLY 148 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3m81 h ILE 149 N 0.00 0.00 0.00 -0.61 2.10 -1.76 -2.84 117.51 114.40 3m81 h ILE 149 Ca 0.00 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.72 3m81 h ILE 149 Cb 0.00 0.94 0.00 0.00 -1.09 0.00 0.00 36.82 36.67 3m81 h ILE 149 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 3m81 n LEU 150 N -2.35 0.00 -3.66 2.19 4.77 -1.26 -4.63 117.00 112.06 3m81 n LEU 150 Ca 0.01 0.08 -0.07 0.00 -0.03 0.00 0.00 56.01 56.00 3m81 n LEU 150 Cb 0.20 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.13 3m81 n LEU 150 CO 0.19 -0.00 0.24 -0.62 -1.33 0.00 0.00 177.39 175.87 3m81 s ASP 151 N -2.16 -0.83 0.59 -1.43 -1.08 -1.08 -4.95 116.67 105.73 3m81 s ASP 151 Ca 0.40 1.34 0.30 0.00 -0.52 0.00 0.00 52.55 54.07 3m81 s ASP 151 Cb 0.20 1.39 1.80 0.00 -1.46 0.00 0.00 42.92 44.85 3m81 s ASP 151 CO 0.37 -0.23 2.22 1.55 0.52 0.00 0.00 175.17 179.61 3m81 h PRO 152 N 7.28 0.00 0.00 4.34 0.13 -1.83 -0.58 132.00 141.34 3m81 h PRO 152 Ca -0.29 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.78 3m81 h PRO 152 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3m81 h PRO 152 CO 0.18 0.00 -0.30 0.00 -0.23 0.00 0.00 178.00 177.64 3m81 h ARG 153 N 0.00 0.00 -0.01 0.86 3.08 -1.96 -3.09 114.38 113.27 3m81 h ARG 153 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3m81 h ARG 153 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3m81 h ARG 153 CO -0.00 0.30 -0.67 0.25 -1.07 0.00 0.00 179.97 178.78 3m81 n THR 154 N -3.68 0.00 -2.30 2.04 -2.24 -0.29 -5.00 114.28 102.81 3m81 n THR 154 Ca -0.01 -0.16 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 3m81 n THR 154 Cb 0.41 1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 69.76 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 -2.68 3.34 0.22 4.78 5.04 -0.79 -4.34 117.35 122.92 3m81 s TYR 155 Ca 0.15 1.41 -0.09 0.00 -2.44 0.00 0.00 57.07 56.10 3m81 s TYR 155 Cb 0.17 -3.50 0.34 0.00 0.35 0.00 0.00 41.96 39.32 3m81 s TYR 155 CO 0.68 -1.39 1.67 -0.92 -1.34 0.00 0.00 175.55 174.26 3m81 h TYR 156 N 4.70 0.04 0.00 4.97 3.20 -1.58 -1.70 116.97 126.60 3m81 h TYR 156 Ca -0.46 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.46 3m81 h TYR 156 Cb 1.22 0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.57 3m81 h TYR 156 CO 0.60 -0.14 0.00 0.66 -1.64 0.00 0.00 178.16 177.64 3m81 n TYR 157 N -5.25 0.59 -0.33 -3.82 4.01 -1.26 -1.68 117.16 109.42 3m81 n TYR 157 Ca 0.10 0.22 -0.04 0.00 -0.16 0.00 0.00 57.90 58.02 3m81 n TYR 157 Cb 0.38 -0.85 0.08 0.00 -0.31 0.00 0.00 39.34 38.65 3m81 n TYR 157 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3m81 h ARG 158 N 0.00 1.24 -0.08 -0.72 2.43 -1.61 0.38 114.38 116.03 3m81 h ARG 158 Ca 0.00 -0.15 -0.11 0.00 -0.81 0.00 0.00 59.98 58.91 3m81 h ARG 158 Cb 0.42 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3m81 h ARG 158 CO 0.00 0.92 -0.36 0.00 -1.51 0.00 0.00 179.97 179.01 3m81 h ARG 159 N 1.24 0.38 -0.37 0.20 3.08 -1.43 -2.68 114.38 114.81 3m81 h ARG 159 Ca 0.31 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3m81 h ARG 159 Cb 0.05 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3m81 h ARG 159 CO -0.05 0.95 0.22 0.28 -1.07 0.00 0.00 179.97 180.30 3m81 h VAL 160 N -0.09 1.12 -0.66 2.04 2.07 -1.41 -0.65 116.25 118.68 3m81 h VAL 160 Ca -0.02 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 3m81 h VAL 160 Cb 1.01 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 3m81 h VAL 160 CO 0.08 0.12 0.23 -0.26 0.02 0.00 0.00 177.57 177.76 3m81 h PHE 161 N 0.48 1.00 -0.27 1.57 0.04 -0.98 -0.63 116.94 118.15 3m81 h PHE 161 Ca 0.13 -0.08 -0.06 0.00 2.80 0.00 0.00 57.97 60.77 3m81 h PHE 161 Cb 0.01 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.85 3m81 h PHE 161 CO -0.04 0.78 -0.05 1.15 -0.60 0.00 0.00 178.31 179.56 3m81 h THR 162 N 0.96 1.28 -0.76 -1.55 2.02 -1.23 -1.58 112.91 112.04 3m81 h THR 162 Ca 0.22 -1.05 0.18 0.00 0.77 0.00 0.00 66.41 66.53 3m81 h THR 162 Cb 0.23 1.41 -0.12 0.00 -1.74 0.00 0.00 68.15 67.93 3m81 h THR 162 CO -0.01 0.33 0.11 0.44 0.37 0.00 0.00 175.52 176.76 3m81 h ASP 163 N 0.28 -0.14 -0.40 4.18 3.32 -0.68 -1.93 116.42 121.04 3m81 h ASP 163 Ca 0.07 0.17 -0.11 0.00 0.02 0.00 0.00 57.03 57.18 3m81 h ASP 163 Cb 0.51 0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 3m81 h ASP 163 CO 0.02 -0.12 -0.17 0.00 -1.72 0.00 0.00 179.24 177.26 3m81 h ALA 164 N 1.67 0.84 -0.40 3.45 0.00 -0.33 0.17 119.26 124.67 3m81 h ALA 164 Ca 0.43 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3m81 h ALA 164 Cb 0.78 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3m81 h ALA 164 CO -0.60 0.65 -0.22 0.28 0.00 0.00 0.00 179.25 179.36 3m81 h VAL 165 N 0.78 1.27 0.00 0.00 2.07 -1.01 -2.72 116.25 116.65 3m81 h VAL 165 Ca 0.12 -1.33 -0.11 0.00 0.82 0.00 0.00 66.70 66.19 3m81 h VAL 165 Cb 0.70 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3m81 h VAL 165 CO 0.05 0.45 -0.53 0.03 0.02 0.00 0.00 177.57 177.59 3m81 h ARG 166 N 0.69 0.00 -0.86 1.57 2.47 -0.75 -2.91 114.38 114.59 3m81 h ARG 166 Ca 0.10 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.86 3m81 h ARG 166 Cb 0.73 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.00 3m81 h ARG 166 CO 0.06 0.53 0.56 0.00 0.56 0.00 0.00 179.97 181.68 3m81 h ALA 167 N 1.47 1.50 -0.55 0.04 0.00 -0.35 -0.71 119.26 120.66 3m81 h ALA 167 Ca -0.01 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3m81 h ALA 167 Cb 0.98 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3m81 h ALA 167 CO 0.07 0.39 -0.02 0.28 0.00 0.00 0.00 179.25 179.98 3m81 h VAL 168 N 1.03 1.26 -0.58 0.00 2.07 -1.45 0.33 116.25 118.90 3m81 h VAL 168 Ca 0.35 -1.12 -0.07 0.00 0.82 0.00 0.00 66.70 66.68 3m81 h VAL 168 Cb 0.10 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3m81 h VAL 168 CO -0.12 0.40 0.08 -0.33 0.02 0.00 0.00 177.57 177.62 3m81 h GLU 169 N 0.88 0.98 -0.43 1.57 4.39 -1.34 -1.15 114.58 119.48 3m81 h GLU 169 Ca 0.16 -0.27 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 3m81 h GLU 169 Cb 0.54 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 3m81 h GLU 169 CO 0.03 0.94 0.06 0.00 -1.16 0.00 0.00 179.01 178.88 3m81 h ALA 170 N 1.00 0.57 -0.45 3.43 0.00 -0.77 -1.55 119.26 121.49 3m81 h ALA 170 Ca 0.18 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.91 3m81 h ALA 170 Cb 0.44 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3m81 h ALA 170 CO 0.01 0.29 0.17 0.00 0.00 0.00 0.00 179.25 179.73 3m81 h ALA 171 N 0.93 0.54 0.00 0.00 0.00 -0.83 -2.62 119.26 117.29 3m81 h ALA 171 Ca 0.13 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3m81 h ALA 171 Cb 0.39 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3m81 h ALA 171 CO 0.01 -0.21 -0.11 0.00 0.00 0.00 0.00 179.25 178.93 3m81 h ALA 172 N 1.29 1.39 0.00 0.00 0.00 -0.83 -2.01 119.26 119.09 3m81 h ALA 172 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3m81 h ALA 172 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3m81 h ALA 172 CO -0.20 0.14 0.00 0.66 0.00 0.00 0.00 179.25 179.85 3m81 h SER 173 N 0.00 0.00 -3.19 0.00 4.64 -0.89 -3.45 113.55 110.66 3m81 h SER 173 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3m81 h SER 173 Cb 0.28 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3m81 h SER 173 CO 0.01 0.00 0.61 0.12 -0.87 0.00 0.00 176.83 176.71 3m81 s PHE 174 N -3.48 3.37 0.39 4.77 5.36 -0.76 -4.92 117.98 122.72 3m81 s PHE 174 Ca 0.03 1.21 0.07 0.00 -0.96 0.00 0.00 56.93 57.29 3m81 s PHE 174 Cb 0.09 -3.51 0.81 0.00 -0.34 0.00 0.00 43.02 40.07 3m81 s PHE 174 CO 0.51 -1.62 2.00 -1.35 -1.46 0.00 0.00 175.22 173.29 3m81 h PRO 175 N 6.49 0.46 -0.04 10.12 0.11 -1.89 -2.45 132.00 144.80 3m81 h PRO 175 Ca -0.42 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3m81 h PRO 175 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3m81 h PRO 175 CO 0.82 0.39 0.00 1.04 -0.21 0.00 0.00 178.00 180.03 3m81 n GLN 176 N -4.40 1.28 -3.05 1.05 6.02 -1.26 -4.84 117.38 112.19 3m81 n GLN 176 Ca 0.02 -0.41 -0.40 0.00 -0.01 0.00 0.00 57.00 56.20 3m81 n GLN 176 Cb 0.14 -1.41 -0.05 0.00 1.02 0.00 0.00 30.24 29.94 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 -1.96 5.01 -0.50 5.09 1.01 -0.93 -0.49 120.40 127.64 3m81 s VAL 177 Ca 0.37 1.39 -0.28 0.00 0.00 0.00 0.00 61.98 63.45 3m81 s VAL 177 Cb 0.18 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.57 3m81 s VAL 177 CO 0.29 0.17 1.11 -0.62 0.00 0.00 0.00 175.10 176.05 3m81 s ASP 178 N 0.97 6.57 0.43 3.32 -1.08 0.19 -4.80 116.67 122.28 3m81 s ASP 178 Ca 0.35 0.31 0.30 0.00 -0.52 0.00 0.00 52.55 52.99 3m81 s ASP 178 Cb -0.17 -2.53 1.45 0.00 -1.46 0.00 0.00 42.92 40.21 3m81 s ASP 178 CO 0.14 -1.27 1.91 1.56 0.52 0.00 0.00 175.17 178.03 3m81 h GLN 179 N 9.28 0.00 0.00 4.34 4.20 -1.92 -0.78 115.11 130.22 3m81 h GLN 179 Ca -0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.47 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 1.12 0.00 0.00 0.39 -0.67 0.00 0.00 178.83 179.67 3m81 n GLU 180 N -2.62 0.16 -2.79 1.46 -0.58 -1.26 -4.17 120.64 110.84 3m81 n GLU 180 Ca -0.00 0.16 -0.20 0.00 -0.42 0.00 0.00 57.16 56.69 3m81 n GLU 180 Cb 0.15 -1.69 -0.01 0.00 -0.57 0.00 0.00 31.44 29.32 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 -1.98 2.18 -3.56 3.49 1.74 -0.30 -4.89 116.66 113.35 3m81 n ARG 181 Ca 0.06 -3.97 -0.38 0.00 -0.77 0.00 0.00 57.85 52.79 3m81 n ARG 181 Cb 0.38 -1.83 -0.11 0.00 -1.02 0.00 0.00 32.46 29.88 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 -3.93 5.29 -0.10 0.55 1.01 -1.25 -0.88 121.20 121.90 3m81 s ILE 182 Ca 0.40 0.19 -0.03 0.00 0.00 0.00 0.00 60.65 61.22 3m81 s ILE 182 Cb 0.38 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 3m81 s ILE 182 CO -0.09 0.22 0.01 -0.69 0.00 0.00 0.00 174.94 174.39 3m81 s VAL 183 N 1.80 4.42 -0.13 2.92 1.01 0.10 -0.45 120.40 130.06 3m81 s VAL 183 Ca 0.08 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 3m81 s VAL 183 Cb -0.16 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3m81 s VAL 183 CO 0.11 0.59 0.04 0.27 0.00 0.00 0.00 175.10 176.11 3m81 s ILE 184 N -0.77 4.58 -0.07 2.22 -4.36 -0.04 -0.49 121.20 122.27 3m81 s ILE 184 Ca 0.12 -0.13 -0.07 0.00 -0.26 0.00 0.00 60.65 60.31 3m81 s ILE 184 Cb -0.12 -2.99 0.02 0.00 1.25 0.00 0.00 42.46 40.62 3m81 s ILE 184 CO 0.02 0.55 0.20 0.00 0.24 0.00 0.00 174.94 175.95 3m81 s ALA 185 N -0.34 -0.50 -0.19 2.27 0.00 -0.01 -1.10 121.76 121.89 3m81 s ALA 185 Ca 0.08 0.52 -0.32 0.00 0.00 0.00 0.00 51.96 52.24 3m81 s ALA 185 Cb -0.12 -0.29 0.15 0.00 0.00 0.00 0.00 23.12 22.85 3m81 s ALA 185 CO 0.02 -0.11 1.17 0.20 0.00 0.00 0.00 175.76 177.04 3m81 s GLY 186 N -0.04 -0.19 0.11 0.00 0.00 -0.79 -0.83 107.32 105.57 3m81 s GLY 186 Ca -0.01 2.01 0.10 0.00 0.00 0.00 0.00 44.72 46.81 3m81 s GLY 186 CO 0.00 0.80 -0.23 -0.32 0.00 0.00 0.00 173.10 173.36 3m81 s GLY 187 N -1.61 1.60 0.00 0.20 0.00 -1.26 -1.50 107.32 104.75 3m81 s GLY 187 Ca 0.06 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.40 3m81 s GLY 187 CO -0.04 -1.34 0.00 1.44 0.00 0.00 0.00 173.10 173.16 3m81 n SER 188 N 1.03 0.00 -0.29 1.64 7.64 -0.41 -0.78 113.62 122.45 3m81 n SER 188 Ca -0.17 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.81 3m81 n SER 188 Cb 0.53 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.98 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 0.37 -0.94 1.43 4.15 -1.85 0.21 115.11 118.48 3m81 h GLN 189 Ca 0.00 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.47 3m81 h GLN 189 Cb 0.00 -0.08 -0.06 0.00 0.21 0.00 0.00 27.48 27.54 3m81 h GLN 189 CO 0.00 0.24 0.61 0.78 -1.93 0.00 0.00 178.83 178.53 3m81 h GLY 190 N 0.38 1.39 1.02 2.39 0.00 -0.91 -0.74 103.07 106.59 3m81 h GLY 190 Ca 0.50 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 3m81 h GLY 190 CO -0.51 0.30 0.37 -1.33 0.00 0.00 0.00 176.54 175.38 3m81 h GLY 191 N 1.07 1.14 1.34 4.60 0.00 -0.42 -0.43 103.07 110.36 3m81 h GLY 191 Ca 0.41 -0.55 -0.14 0.00 0.00 0.00 0.00 47.33 47.05 3m81 h GLY 191 CO -0.16 0.53 -0.36 -1.33 0.00 0.00 0.00 176.54 175.22 3m81 h GLY 192 N 1.04 0.79 0.91 4.60 0.00 -0.65 -0.57 103.07 109.19 3m81 h GLY 192 Ca 0.26 -0.77 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 3m81 h GLY 192 CO -0.03 0.70 0.11 -2.22 0.00 0.00 0.00 176.54 175.09 3m81 h ILE 193 N 0.61 1.17 -0.32 2.60 2.04 -1.00 -2.35 117.51 120.25 3m81 h ILE 193 Ca 0.06 -0.53 -0.07 0.00 1.00 0.00 0.00 64.86 65.33 3m81 h ILE 193 Cb 0.89 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 3m81 h ILE 193 CO 0.08 0.18 -0.09 0.00 0.00 0.00 0.00 178.15 178.32 3m81 h ALA 194 N 0.95 1.27 -0.22 1.87 0.00 -0.80 -1.33 119.26 121.00 3m81 h ALA 194 Ca 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3m81 h ALA 194 Cb 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3m81 h ALA 194 CO -0.01 0.49 0.07 1.25 0.00 0.00 0.00 179.25 181.05 3m81 h LEU 195 N 0.49 0.32 -0.19 0.00 5.85 -0.95 0.18 115.31 121.00 3m81 h LEU 195 Ca 0.09 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.63 3m81 h LEU 195 Cb 0.45 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3m81 h LEU 195 CO 0.02 0.44 0.05 0.00 -0.34 0.00 0.00 178.44 178.61 3m81 h ALA 196 N 0.89 0.20 -0.64 1.25 0.00 -1.02 -2.52 119.26 117.43 3m81 h ALA 196 Ca 0.07 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3m81 h ALA 196 Cb 0.23 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3m81 h ALA 196 CO -0.00 -0.38 0.42 0.28 0.00 0.00 0.00 179.25 179.57 3m81 h VAL 197 N 0.14 1.17 -0.02 0.00 2.07 -0.87 -0.82 116.25 117.91 3m81 h VAL 197 Ca 0.08 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.30 3m81 h VAL 197 Cb 0.07 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3m81 h VAL 197 CO -0.10 0.16 0.03 0.77 0.02 0.00 0.00 177.57 178.45 3m81 h SER 198 N 0.87 0.00 0.36 0.57 4.64 -0.20 0.60 113.55 120.39 3m81 h SER 198 Ca 0.23 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.24 3m81 h SER 198 Cb -0.09 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 61.94 3m81 h SER 198 CO -0.05 0.00 -1.88 0.00 -0.87 0.00 0.00 176.83 174.03 3m81 n ALA 199 N -2.31 1.45 -0.04 5.18 0.00 -0.39 -4.43 120.51 119.97 3m81 n ALA 199 Ca -0.02 -0.87 -0.02 0.00 0.00 0.00 0.00 53.44 52.53 3m81 n ALA 199 Cb 0.11 -0.70 -0.14 0.00 0.00 0.00 0.00 19.45 18.72 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 -3.02 0.25 -4.85 0.00 4.77 -0.76 -4.90 117.00 108.50 3m81 n LEU 200 Ca -0.22 0.11 -0.34 0.00 -0.03 0.00 0.00 56.01 55.54 3m81 n LEU 200 Cb 1.07 0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 42.35 3m81 n LEU 200 CO 0.44 0.28 0.33 -0.55 -1.33 0.00 0.00 177.39 176.56 3m81 s SER 201 N -5.34 6.80 -0.00 -1.43 0.15 0.14 -4.97 113.70 109.06 3m81 s SER 201 Ca -0.07 1.18 0.22 0.00 0.70 0.00 0.00 55.95 57.97 3m81 s SER 201 Cb 0.09 -2.33 -0.23 0.00 -1.71 0.00 0.00 66.02 61.84 3m81 s SER 201 CO 0.85 -0.07 0.74 0.29 1.20 0.00 0.00 173.24 176.25 3m81 n LYS 202 N 0.13 0.33 0.05 5.44 4.76 -1.26 -4.55 118.16 123.07 3m81 n LYS 202 Ca -0.00 -0.09 0.11 0.00 -2.87 0.00 0.00 58.31 55.46 3m81 n LYS 202 Cb 0.52 -1.53 -0.08 0.00 -1.84 0.00 0.00 35.03 32.11 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 -1.91 0.63 -2.16 1.97 4.76 -1.26 -4.94 118.16 115.25 3m81 n LYS 203 Ca 0.00 -0.01 -0.41 0.00 -2.87 0.00 0.00 58.31 55.02 3m81 n LYS 203 Cb 0.45 -1.70 -0.03 0.00 -1.84 0.00 0.00 35.03 31.92 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 -3.41 3.55 -0.05 7.82 0.00 -1.26 -4.76 121.76 123.64 3m81 s ALA 204 Ca -0.04 1.18 0.13 0.00 0.00 0.00 0.00 51.96 53.23 3m81 s ALA 204 Cb 0.11 -3.50 -0.19 0.00 0.00 0.00 0.00 23.12 19.55 3m81 s ALA 204 CO 0.84 -0.60 0.21 1.63 0.00 0.00 0.00 175.76 177.85 3m81 n LYS 205 N 2.30 0.89 -3.70 0.00 4.76 0.40 -4.95 118.16 117.85 3m81 n LYS 205 Ca 0.05 -0.09 -0.12 0.00 -2.87 0.00 0.00 58.31 55.29 3m81 n LYS 205 Cb 0.42 -1.31 -0.07 0.00 -1.84 0.00 0.00 35.03 32.23 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 -2.73 -0.86 -0.11 7.82 0.00 -1.19 -4.21 121.76 120.49 3m81 s ALA 206 Ca -0.05 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.08 3m81 s ALA 206 Cb 0.07 0.36 0.01 0.00 0.00 0.00 0.00 23.12 23.56 3m81 s ALA 206 CO 0.54 -0.45 -0.18 -1.17 0.00 0.00 0.00 175.76 174.49 3m81 s LEU 207 N -2.10 1.87 -0.22 0.00 2.96 0.05 -0.86 118.68 120.38 3m81 s LEU 207 Ca -0.04 -0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 53.34 3m81 s LEU 207 Cb -0.01 -1.19 -0.02 0.00 0.50 0.00 0.00 46.19 45.47 3m81 s LEU 207 CO -0.04 0.06 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.28 3m81 s LEU 208 N 0.76 3.07 -0.31 -0.68 1.43 -0.26 -0.83 118.68 121.86 3m81 s LEU 208 Ca -0.11 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.66 3m81 s LEU 208 Cb -0.16 -1.79 0.11 0.00 0.03 0.00 0.00 46.19 44.38 3m81 s LEU 208 CO 0.01 -0.00 0.14 0.00 0.23 0.00 0.00 176.35 176.73 3m81 s ASP 210 N 1.70 5.99 -0.95 0.00 1.01 -0.56 -2.02 116.67 121.83 3m81 s ASP 210 Ca 0.11 0.26 -0.14 0.00 0.71 0.00 0.00 52.55 53.50 3m81 s ASP 210 Cb -0.18 -1.97 0.02 0.00 1.01 0.00 0.00 42.92 41.80 3m81 s ASP 210 CO -0.25 0.28 0.26 1.33 0.21 0.00 0.00 175.17 177.00 3m81 n VAL 211 N 2.82 -1.30 -2.03 -1.27 0.24 -0.67 -1.29 118.33 114.83 3m81 n VAL 211 Ca -0.18 -0.38 -0.39 0.00 -2.04 0.00 0.00 64.34 61.35 3m81 n VAL 211 Cb 0.53 -1.15 -0.00 0.00 -1.47 0.00 0.00 33.84 31.75 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 -6.43 3.94 0.46 7.34 0.04 -1.26 -2.59 135.00 136.50 3m81 s PRO 212 Ca 0.19 2.18 0.08 0.00 0.04 0.00 0.00 61.00 63.48 3m81 s PRO 212 Cb -0.11 -2.75 0.01 0.00 0.04 0.00 0.00 34.50 31.69 3m81 s PRO 212 CO 0.68 -0.52 0.45 0.12 0.04 0.00 0.00 177.00 177.77 3m81 s PHE 213 N -1.26 2.36 -1.00 0.56 5.36 -0.85 -4.68 117.98 118.48 3m81 s PHE 213 Ca 0.57 -0.58 -0.06 0.00 -0.96 0.00 0.00 56.93 55.91 3m81 s PHE 213 Cb -0.38 -2.15 0.01 0.00 -0.34 0.00 0.00 43.02 40.16 3m81 s PHE 213 CO 0.49 -0.33 0.74 1.28 -1.46 0.00 0.00 175.22 175.94 3m81 n LEU 214 N -1.70 -2.84 -4.02 6.12 4.77 -1.26 -3.64 117.00 114.44 3m81 n LEU 214 Ca 0.04 -0.34 -0.23 0.00 -0.03 0.00 0.00 56.01 55.45 3m81 n LEU 214 Cb 0.62 -2.29 -0.16 0.00 -2.33 0.00 0.00 43.42 39.26 3m81 n LEU 214 CO 0.41 0.39 -0.46 0.00 -1.33 0.00 0.00 177.39 176.40 3m81 n HIS 216 N 3.63 -1.89 -0.26 0.00 -0.00 -1.26 -4.65 115.22 110.78 3m81 n HIS 216 Ca -0.22 0.65 0.07 0.00 0.46 0.00 0.00 57.72 58.68 3m81 n HIS 216 Cb 0.52 -3.82 0.19 0.00 -0.12 0.00 0.00 29.99 26.77 3m81 n HIS 216 CO 0.00 0.00 0.00 0.74 0.46 0.00 0.00 176.34 177.54 3m81 h PHE 217 N -1.82 0.17 -0.75 1.57 0.04 -1.95 -1.09 116.94 113.11 3m81 h PHE 217 Ca -0.64 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.18 3m81 h PHE 217 Cb 1.36 0.05 -0.04 0.00 2.20 0.00 0.00 35.95 39.52 3m81 h PHE 217 CO 0.40 -0.17 0.48 -0.09 -0.60 0.00 0.00 178.31 178.34 3m81 h ARG 218 N 0.19 1.00 -0.09 1.51 9.65 -1.99 -1.87 114.38 122.78 3m81 h ARG 218 Ca 0.44 -0.07 -0.06 0.00 -1.10 0.00 0.00 59.98 59.19 3m81 h ARG 218 Cb 0.79 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 3m81 h ARG 218 CO -0.59 0.68 -0.19 -0.09 2.80 0.00 0.00 179.97 182.58 3m81 h ARG 219 N 1.02 0.29 -0.65 0.20 9.65 -1.72 -3.18 114.38 119.99 3m81 h ARG 219 Ca 0.27 -0.19 0.12 0.00 -1.10 0.00 0.00 59.98 59.08 3m81 h ARG 219 Cb -0.09 0.02 -0.12 0.00 -1.39 0.00 0.00 29.97 28.39 3m81 h ARG 219 CO -0.06 0.78 -0.30 0.00 2.80 0.00 0.00 179.97 183.19 3m81 h ALA 220 N 0.50 0.09 0.00 2.80 0.00 -0.84 -0.81 119.26 121.01 3m81 h ALA 220 Ca 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3m81 h ALA 220 Cb 0.77 0.75 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 3m81 h ALA 220 CO 0.04 -0.61 -0.10 0.28 0.00 0.00 0.00 179.25 178.86 3m81 h VAL 221 N -0.11 0.38 0.00 0.00 2.07 -1.44 -1.92 116.25 115.23 3m81 h VAL 221 Ca 0.27 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3m81 h VAL 221 Cb 0.55 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3m81 h VAL 221 CO -0.72 0.10 -1.02 0.00 0.02 0.00 0.00 177.57 175.95 3m81 n GLN 222 N -3.41 0.37 -0.13 1.57 6.02 -0.41 -4.48 117.38 116.91 3m81 n GLN 222 Ca -0.01 0.02 -0.18 0.00 -0.01 0.00 0.00 57.00 56.82 3m81 n GLN 222 Cb 0.27 -1.64 -0.12 0.00 1.02 0.00 0.00 30.24 29.77 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 -2.13 2.95 -4.33 1.08 0.00 -0.60 -5.00 117.00 108.97 3m81 n LEU 223 Ca 0.01 -0.13 -0.22 0.00 0.00 0.00 0.00 56.01 55.68 3m81 n LEU 223 Cb 0.47 -0.90 -0.11 0.00 0.00 0.00 0.00 43.42 42.87 3m81 n LEU 223 CO 0.40 0.93 -0.49 0.68 0.00 0.00 0.00 177.39 178.91 3m81 s VAL 224 N -2.51 1.84 -0.30 1.96 -7.23 -0.78 -5.02 120.40 108.35 3m81 s VAL 224 Ca -0.35 -1.91 0.13 0.00 -1.81 0.00 0.00 61.98 58.04 3m81 s VAL 224 Cb 0.09 -1.84 0.32 0.00 0.56 0.00 0.00 36.38 35.51 3m81 s VAL 224 CO 0.59 -0.30 1.24 -0.90 -0.31 0.00 0.00 175.10 175.42 3m81 n ASP 225 N 0.32 2.92 -4.83 4.85 5.75 -1.26 -4.65 116.55 119.65 3m81 n ASP 225 Ca -0.13 -2.62 -0.32 0.00 -0.01 0.00 0.00 54.79 51.70 3m81 n ASP 225 Cb 0.57 -0.34 -0.02 0.00 -1.03 0.00 0.00 41.12 40.29 3m81 n ASP 225 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3m81 s THR 226 N -2.09 4.33 0.44 2.12 -4.23 -1.26 -4.70 115.64 110.25 3m81 s THR 226 Ca 0.27 1.11 -0.21 0.00 -1.18 0.00 0.00 61.69 61.69 3m81 s THR 226 Cb 0.21 -3.63 -0.10 0.00 1.34 0.00 0.00 72.50 70.32 3m81 s THR 226 CO 0.07 -0.65 0.97 -1.00 -0.54 0.00 0.00 174.62 173.48 3m81 s HIS 227 N -2.59 3.25 -1.20 3.99 3.76 -1.26 -1.19 115.29 120.05 3m81 s HIS 227 Ca 0.60 1.61 0.26 0.00 -0.15 0.00 0.00 55.06 57.38 3m81 s HIS 227 Cb -0.12 -2.90 0.75 0.00 1.11 0.00 0.00 32.58 31.42 3m81 s HIS 227 CO 0.33 -0.26 1.58 -0.35 -0.85 0.00 0.00 174.74 175.18 3m81 n PRO 228 N -0.69 0.22 0.16 8.40 -0.05 -1.26 -4.87 135.00 136.91 3m81 n PRO 228 Ca 0.07 -0.11 0.13 0.00 -0.05 0.00 0.00 63.50 63.55 3m81 n PRO 228 Cb 0.54 -1.50 0.67 0.00 -0.05 0.00 0.00 33.50 33.16 3m81 n PRO 228 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 175.50 177.33 3m81 h TYR 229 N 0.26 0.00 0.00 0.54 0.05 -1.86 -1.61 116.97 114.35 3m81 h TYR 229 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 3m81 h TYR 229 Cb 0.48 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.22 3m81 h TYR 229 CO 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 178.16 177.10 3m81 h ALA 230 N 1.89 1.14 -0.82 3.88 0.00 -1.43 -1.63 119.26 122.29 3m81 h ALA 230 Ca 0.10 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3m81 h ALA 230 Cb 0.40 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3m81 h ALA 230 CO -0.00 0.01 0.53 0.93 0.00 0.00 0.00 179.25 180.72 3m81 h GLU 231 N 0.00 1.02 -0.29 0.00 5.08 -1.57 0.17 114.58 118.99 3m81 h GLU 231 Ca -0.00 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3m81 h GLU 231 Cb 0.06 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 3m81 h GLU 231 CO 0.00 0.68 -0.02 0.82 -1.00 0.00 0.00 179.01 179.49 3m81 h ILE 232 N 1.05 1.27 -0.64 3.13 2.04 -1.48 -2.17 117.51 120.71 3m81 h ILE 232 Ca 0.32 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 65.22 3m81 h ILE 232 Cb -0.03 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 3m81 h ILE 232 CO -0.10 0.32 0.40 0.74 0.00 0.00 0.00 178.15 179.51 3m81 h THR 233 N 0.31 1.10 -0.23 -0.27 2.02 -1.36 -0.77 112.91 113.70 3m81 h THR 233 Ca 0.08 -0.28 -0.14 0.00 0.77 0.00 0.00 66.41 66.84 3m81 h THR 233 Cb 0.47 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3m81 h THR 233 CO 0.02 0.15 -0.44 0.78 0.37 0.00 0.00 175.52 176.39 3m81 h ASN 234 N 0.80 0.61 -0.51 4.18 2.35 -0.56 -0.15 115.58 122.30 3m81 h ASN 234 Ca 0.25 -0.29 0.04 0.00 -0.55 0.00 0.00 56.30 55.75 3m81 h ASN 234 Cb -0.01 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.15 3m81 h ASN 234 CO -0.09 0.97 0.28 0.15 -1.65 0.00 0.00 177.43 177.09 3m81 h PHE 235 N 0.46 0.51 -0.28 1.19 3.04 -1.12 -2.68 116.94 118.06 3m81 h PHE 235 Ca 0.03 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.94 3m81 h PHE 235 Cb 0.96 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 39.29 3m81 h PHE 235 CO 0.04 0.27 -0.11 -0.07 -2.02 0.00 0.00 178.31 176.42 3m81 h LEU 236 N 0.55 0.45 -1.65 0.59 3.38 -0.53 0.93 115.31 119.03 3m81 h LEU 236 Ca 0.22 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3m81 h LEU 236 Cb 0.08 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3m81 h LEU 236 CO -0.13 0.60 0.30 0.11 0.09 0.00 0.00 178.44 179.41 3m81 h LYS 237 N 0.44 0.44 0.00 1.13 1.57 -0.71 -3.22 116.57 116.22 3m81 h LYS 237 Ca 0.08 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.69 3m81 h LYS 237 Cb 0.46 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3m81 h LYS 237 CO 0.03 0.29 -1.08 2.41 -0.57 0.00 0.00 179.45 180.52 3m81 n THR 238 N -4.48 1.49 -2.26 -0.16 -1.04 -1.07 -4.61 114.28 102.16 3m81 n THR 238 Ca 0.05 0.05 -0.43 0.00 -2.04 0.00 0.00 64.05 61.68 3m81 n THR 238 Cb 0.19 -2.19 0.00 0.00 -1.82 0.00 0.00 70.33 66.51 3m81 n THR 238 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3m81 n HIS 239 N -4.49 3.49 0.39 -1.42 8.25 0.30 -4.78 115.22 116.96 3m81 n HIS 239 Ca -0.23 -2.92 0.13 0.00 -0.26 0.00 0.00 57.72 54.44 3m81 n HIS 239 Cb 0.53 -2.20 0.52 0.00 1.12 0.00 0.00 29.99 29.95 3m81 n HIS 239 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m81 h ARG 240 N 6.13 0.00 -0.15 -0.41 3.08 -1.81 -2.00 114.38 119.21 3m81 h ARG 240 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.49 3m81 h ARG 240 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 3m81 h ARG 240 CO 1.64 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 180.14 3m81 n ASP 241 N -2.45 1.46 -0.05 7.04 5.75 -1.26 -4.40 116.55 122.63 3m81 n ASP 241 Ca 0.02 -1.69 0.01 0.00 -0.01 0.00 0.00 54.79 53.12 3m81 n ASP 241 Cb 0.28 -0.10 0.03 0.00 -1.03 0.00 0.00 41.12 40.29 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 0.19 2.81 0.02 0.11 4.76 -0.75 -4.78 118.16 120.52 3m81 n LYS 242 Ca 0.15 -1.66 -0.10 0.00 -2.87 0.00 0.00 58.31 53.84 3m81 n LYS 242 Cb 0.29 -1.08 -0.04 0.00 -1.84 0.00 0.00 35.03 32.37 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 0.14 -0.31 -0.14 1.97 4.81 -1.77 -0.32 114.58 118.97 3m81 h GLU 243 Ca 0.00 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3m81 h GLU 243 Cb 0.57 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 3m81 h GLU 243 CO 0.00 -0.21 0.08 1.49 -0.73 0.00 0.00 179.01 179.65 3m81 h GLU 244 N -0.32 0.18 -0.74 1.92 4.81 -1.95 -1.91 114.58 116.56 3m81 h GLU 244 Ca 0.09 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 3m81 h GLU 244 Cb 0.46 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 3m81 h GLU 244 CO -0.28 0.15 0.47 0.82 -0.73 0.00 0.00 179.01 179.45 3m81 h ILE 245 N 0.16 1.13 -0.29 2.32 2.04 -1.84 -0.29 117.51 120.74 3m81 h ILE 245 Ca 0.05 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 3m81 h ILE 245 Cb 0.02 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 3m81 h ILE 245 CO -0.01 0.17 0.14 0.58 0.00 0.00 0.00 178.15 179.03 3m81 h VAL 246 N 0.94 1.15 0.00 1.67 2.07 -0.68 -0.98 116.25 120.42 3m81 h VAL 246 Ca 0.29 -0.43 -0.12 0.00 0.82 0.00 0.00 66.70 67.25 3m81 h VAL 246 Cb -0.02 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3m81 h VAL 246 CO -0.10 0.16 -0.59 -0.26 0.02 0.00 0.00 177.57 176.80 3m81 h PHE 247 N 0.34 0.00 0.08 1.57 0.04 -1.11 -1.27 116.94 116.60 3m81 h PHE 247 Ca 0.10 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.87 3m81 h PHE 247 Cb 0.12 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.26 3m81 h PHE 247 CO -0.02 0.59 -0.06 -0.09 -0.60 0.00 0.00 178.31 178.13 3m81 h ARG 248 N 0.00 -0.14 -0.58 1.51 2.43 -0.73 -1.42 114.38 115.45 3m81 h ARG 248 Ca -0.01 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3m81 h ARG 248 Cb 1.16 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.72 3m81 h ARG 248 CO 0.08 -0.10 0.38 1.15 -1.51 0.00 0.00 179.97 179.97 3m81 h THR 249 N -0.15 1.15 0.00 0.20 2.02 -0.90 -2.61 112.91 112.62 3m81 h THR 249 Ca -0.00 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 3m81 h THR 249 Cb 0.13 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3m81 h THR 249 CO -0.00 0.15 -0.24 -0.07 0.37 0.00 0.00 175.52 175.73 3m81 h LEU 250 N 0.78 0.00 -1.89 2.58 3.38 -1.07 -2.61 115.31 116.48 3m81 h LEU 250 Ca 0.21 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.25 3m81 h LEU 250 Cb -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3m81 h LEU 250 CO -0.04 0.24 0.22 0.77 0.09 0.00 0.00 178.44 179.72 3m81 h SER 251 N 0.00 0.11 0.80 -0.43 4.64 -0.85 -0.52 113.55 117.30 3m81 h SER 251 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m81 h SER 251 Cb 0.58 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3m81 h SER 251 CO 0.03 0.07 0.00 -1.22 -0.87 0.00 0.00 176.83 174.84 3m81 n TYR 252 N -4.47 0.32 -0.33 4.77 4.02 -0.98 -3.52 117.16 116.97 3m81 n TYR 252 Ca 0.04 0.11 0.02 0.00 -0.01 0.00 0.00 57.90 58.06 3m81 n TYR 252 Cb 0.31 -0.68 0.03 0.00 -0.02 0.00 0.00 39.34 38.97 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 -1.78 0.00 -2.97 -0.72 3.72 -0.23 -5.03 117.46 110.45 3m81 n PHE 253 Ca 0.04 -0.53 -0.41 0.00 -0.05 0.00 0.00 57.45 56.50 3m81 n PHE 253 Cb 0.26 -0.06 -0.05 0.00 -0.94 0.00 0.00 39.48 38.69 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 -1.25 6.86 0.48 4.37 -1.08 -1.01 -4.88 116.67 120.16 3m81 s ASP 254 Ca 0.06 1.06 0.27 0.00 -0.52 0.00 0.00 52.55 53.41 3m81 s ASP 254 Cb 0.05 -2.42 1.32 0.00 -1.46 0.00 0.00 42.92 40.42 3m81 s ASP 254 CO 0.01 -0.35 1.82 1.23 0.52 0.00 0.00 175.17 178.39 3m81 h GLY 255 N 8.26 0.54 1.02 2.66 0.00 -1.38 -0.80 103.07 113.37 3m81 h GLY 255 Ca -0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3m81 h GLY 255 CO 0.81 -0.05 0.45 -2.08 0.00 0.00 0.00 176.54 175.67 3m81 h VAL 256 N 0.19 1.24 -0.14 4.60 2.07 -1.90 0.11 116.25 122.41 3m81 h VAL 256 Ca 0.54 -0.60 -0.12 0.00 0.82 0.00 0.00 66.70 67.33 3m81 h VAL 256 Cb 1.75 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3m81 h VAL 256 CO -0.13 0.27 -0.45 0.78 0.02 0.00 0.00 177.57 178.06 3m81 h ASN 257 N 1.14 0.38 -0.25 0.57 2.35 -1.49 -2.47 115.58 115.80 3m81 h ASN 257 Ca 0.29 -0.17 -0.20 0.00 -0.55 0.00 0.00 56.30 55.67 3m81 h ASN 257 Cb 0.03 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3m81 h ASN 257 CO -0.05 0.78 -0.61 -0.26 -1.65 0.00 0.00 177.43 175.65 3m81 h PHE 258 N 0.29 1.09 -0.86 1.19 0.04 -1.29 -3.26 116.94 114.14 3m81 h PHE 258 Ca 0.02 -0.42 0.10 0.00 2.80 0.00 0.00 57.97 60.47 3m81 h PHE 258 Cb 0.91 -0.19 -0.07 0.00 2.20 0.00 0.00 35.95 38.79 3m81 h PHE 258 CO 0.02 1.25 0.51 0.00 -0.60 0.00 0.00 178.31 179.49 3m81 h ALA 259 N 0.64 1.24 0.00 2.45 0.00 -0.59 -0.30 119.26 122.70 3m81 h ALA 259 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3m81 h ALA 259 Cb 1.23 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3m81 h ALA 259 CO 0.13 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.52 3m81 h ALA 260 N 1.47 1.00 0.00 0.00 0.00 -1.47 -1.93 119.26 118.33 3m81 h ALA 260 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3m81 h ALA 260 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3m81 h ALA 260 CO -0.25 0.00 -0.80 0.54 0.00 0.00 0.00 179.25 178.74 3m81 n ARG 261 N -2.55 2.18 -2.94 0.00 1.74 -0.18 -4.60 116.66 110.31 3m81 n ARG 261 Ca -0.01 -0.02 -0.38 0.00 -0.77 0.00 0.00 57.85 56.67 3m81 n ARG 261 Cb 0.10 -1.17 -0.06 0.00 -1.02 0.00 0.00 32.46 30.30 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 -2.39 3.35 -0.01 7.54 0.00 -0.87 -4.84 121.76 124.54 3m81 s ALA 262 Ca 0.04 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.37 3m81 s ALA 262 Cb 0.10 -3.01 -0.01 0.00 0.00 0.00 0.00 23.12 20.21 3m81 s ALA 262 CO 0.56 0.26 0.01 1.63 0.00 0.00 0.00 175.76 178.23 3m81 n LYS 263 N 0.97 2.45 -2.15 0.00 4.76 -1.26 -1.56 118.16 121.37 3m81 n LYS 263 Ca -0.02 -0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.10 3m81 n LYS 263 Cb 0.50 -0.84 -0.01 0.00 -1.84 0.00 0.00 35.03 32.84 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 -1.68 4.18 0.44 -0.18 -4.36 -1.26 -4.24 121.20 114.09 3m81 s ILE 264 Ca -0.00 1.00 -0.25 0.00 -0.26 0.00 0.00 60.65 61.13 3m81 s ILE 264 Cb 0.00 -3.56 -0.08 0.00 1.25 0.00 0.00 42.46 40.07 3m81 s ILE 264 CO 0.02 -0.64 1.39 -2.84 0.24 0.00 0.00 174.94 173.11 3m81 s PRO 265 N -4.20 3.76 0.00 0.37 0.02 -1.26 -4.25 135.00 129.44 3m81 s PRO 265 Ca 0.61 2.34 -0.00 0.00 0.02 0.00 0.00 61.00 63.97 3m81 s PRO 265 Cb -0.13 -2.68 -0.00 0.00 0.02 0.00 0.00 34.50 31.71 3m81 s PRO 265 CO 0.37 -0.73 -0.00 0.00 -0.33 0.00 0.00 177.00 176.31 3m81 s ALA 266 N -1.22 0.01 -0.22 -1.55 0.00 -0.14 -0.77 121.76 117.86 3m81 s ALA 266 Ca 0.60 -0.07 -0.00 0.00 0.00 0.00 0.00 51.96 52.49 3m81 s ALA 266 Cb -0.42 0.01 0.02 0.00 0.00 0.00 0.00 23.12 22.74 3m81 s ALA 266 CO 0.54 -0.02 -0.12 -1.17 0.00 0.00 0.00 175.76 174.99 3m81 s LEU 267 N -0.18 2.78 0.23 0.00 2.96 -0.01 -1.66 118.68 122.80 3m81 s LEU 267 Ca -0.02 -0.81 0.05 0.00 -0.22 0.00 0.00 54.13 53.13 3m81 s LEU 267 Cb -0.01 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.06 3m81 s LEU 267 CO -0.00 -0.07 0.34 -0.36 -1.32 0.00 0.00 176.35 174.93 3m81 s PHE 268 N 1.30 3.43 0.04 5.38 0.40 0.30 -1.33 117.98 127.50 3m81 s PHE 268 Ca 0.01 -0.01 -0.00 0.00 -0.60 0.00 0.00 56.93 56.33 3m81 s PHE 268 Cb -0.15 -1.57 -0.03 0.00 0.51 0.00 0.00 43.02 41.77 3m81 s PHE 268 CO -0.08 0.45 -0.04 -1.54 0.70 0.00 0.00 175.22 174.72 3m81 s SER 269 N -3.88 0.49 -0.16 1.36 1.04 -0.86 -1.11 113.70 110.58 3m81 s SER 269 Ca 0.34 -0.80 -0.15 0.00 0.48 0.00 0.00 55.95 55.81 3m81 s SER 269 Cb -0.09 0.15 0.04 0.00 0.10 0.00 0.00 66.02 66.22 3m81 s SER 269 CO 0.29 -0.46 0.44 0.54 0.98 0.00 0.00 173.24 175.03 3m81 s VAL 270 N -2.89 0.00 -0.20 5.02 0.11 -0.65 -1.66 120.40 120.13 3m81 s VAL 270 Ca -0.01 -0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.97 3m81 s VAL 270 Cb 0.00 -0.62 -0.03 0.00 -1.53 0.00 0.00 36.38 34.21 3m81 s VAL 270 CO -0.06 -0.00 0.02 -0.83 -3.33 0.00 0.00 175.10 170.90 3m81 s GLY 271 N 0.21 1.76 0.04 6.54 0.00 -1.26 -0.78 107.32 113.83 3m81 s GLY 271 Ca -0.00 -0.96 0.22 0.00 0.00 0.00 0.00 44.72 43.98 3m81 s GLY 271 CO 0.01 0.23 1.69 1.04 0.00 0.00 0.00 173.10 176.07 3m81 n LEU 272 N 4.18 0.12 -0.63 0.66 4.77 -0.83 -2.09 117.00 123.18 3m81 n LEU 272 Ca -0.17 0.52 0.07 0.00 -0.03 0.00 0.00 56.01 56.40 3m81 n LEU 272 Cb 0.52 -0.49 0.18 0.00 -2.33 0.00 0.00 43.42 41.30 3m81 n LEU 272 CO 0.32 -0.18 0.64 0.23 -1.33 0.00 0.00 177.39 177.08 3m81 n MET 273 N -1.63 2.75 -2.15 3.23 2.81 -0.59 -4.61 117.12 116.93 3m81 n MET 273 Ca 0.05 -2.39 -0.43 0.00 -1.81 0.00 0.00 57.70 53.12 3m81 n MET 273 Cb 0.26 -1.51 -0.02 0.00 -0.71 0.00 0.00 33.22 31.23 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 -1.59 6.32 0.00 7.83 -1.08 -0.89 -4.37 116.67 122.89 3m81 s ASP 274 Ca 0.30 1.43 0.20 0.00 -0.52 0.00 0.00 52.55 53.96 3m81 s ASP 274 Cb 0.22 -2.53 0.52 0.00 -1.46 0.00 0.00 42.92 39.67 3m81 s ASP 274 CO 0.10 -1.34 1.44 -0.46 0.52 0.00 0.00 175.17 175.43 3m81 n ASN 275 N 8.73 3.62 -0.11 -0.34 6.94 -1.26 -3.67 115.26 129.17 3m81 n ASN 275 Ca 0.19 -1.98 -0.24 0.00 -0.02 0.00 0.00 54.58 52.52 3m81 n ASN 275 Cb 0.46 -0.38 -0.11 0.00 -2.36 0.00 0.00 39.78 37.39 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 1.38 1.55 -3.96 1.53 2.08 -1.26 -4.58 119.36 116.11 3m81 n ILE 276 Ca 0.21 -0.23 -0.30 0.00 0.56 0.00 0.00 62.75 62.98 3m81 n ILE 276 Cb 0.57 -1.93 -0.14 0.00 -0.75 0.00 0.00 39.64 37.39 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 -0.08 3.05 0.29 0.00 0.02 -1.24 -4.74 135.00 132.29 3m81 s PRO 278 Ca 0.16 1.97 0.02 0.00 0.02 0.00 0.00 61.00 63.17 3m81 s PRO 278 Cb -0.25 -2.06 0.61 0.00 0.02 0.00 0.00 34.50 32.82 3m81 s PRO 278 CO -0.01 -1.18 1.81 -1.35 -0.33 0.00 0.00 177.00 175.93 3m81 h PRO 279 N 1.13 0.85 -0.81 5.54 0.11 -1.79 -1.07 132.00 135.97 3m81 h PRO 279 Ca -0.51 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.60 3m81 h PRO 279 Cb 1.30 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 3m81 h PRO 279 CO 0.56 0.56 0.53 0.66 -0.21 0.00 0.00 178.00 180.10 3m81 h SER 280 N 0.88 0.84 -0.30 -2.05 4.64 -1.93 0.13 113.55 115.76 3m81 h SER 280 Ca 0.52 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.66 3m81 h SER 280 Cb 0.63 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3m81 h SER 280 CO -0.31 0.57 -0.47 0.71 -0.87 0.00 0.00 176.83 176.45 3m81 h THR 281 N 0.97 1.28 -0.23 2.95 1.35 -1.51 -1.46 112.91 116.26 3m81 h THR 281 Ca 0.33 -1.65 -0.03 0.00 -0.55 0.00 0.00 66.41 64.50 3m81 h THR 281 Cb 0.09 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.10 3m81 h THR 281 CO -0.10 0.54 0.02 0.58 -0.25 0.00 0.00 175.52 176.31 3m81 h VAL 282 N 0.63 1.24 -0.39 6.82 2.07 -1.15 -2.57 116.25 122.90 3m81 h VAL 282 Ca 0.03 -0.83 -0.08 0.00 0.82 0.00 0.00 66.70 66.64 3m81 h VAL 282 Cb 1.07 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 3m81 h VAL 282 CO 0.11 0.26 -0.10 -0.26 0.02 0.00 0.00 177.57 177.59 3m81 h PHE 283 N 0.17 0.74 -0.36 1.57 0.04 -0.79 0.62 116.94 118.92 3m81 h PHE 283 Ca 0.07 -0.12 0.07 0.00 2.80 0.00 0.00 57.97 60.78 3m81 h PHE 283 Cb 0.37 -0.19 -0.06 0.00 2.20 0.00 0.00 35.95 38.26 3m81 h PHE 283 CO 0.03 0.76 -0.03 0.00 -0.60 0.00 0.00 178.31 178.47 3m81 h ALA 284 N 1.26 0.30 -0.16 2.45 0.00 -1.18 0.38 119.26 122.31 3m81 h ALA 284 Ca 0.11 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3m81 h ALA 284 Cb 0.54 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3m81 h ALA 284 CO 0.03 -0.42 0.05 0.00 0.00 0.00 0.00 179.25 178.92 3m81 h ALA 285 N 1.33 0.21 -0.37 0.00 0.00 -1.03 -2.40 119.26 117.00 3m81 h ALA 285 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3m81 h ALA 285 Cb 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3m81 h ALA 285 CO -0.32 -0.17 0.24 -0.92 0.00 0.00 0.00 179.25 178.08 3m81 h TYR 286 N 0.09 0.48 -0.44 0.00 3.20 -0.58 -1.72 116.97 118.00 3m81 h TYR 286 Ca 0.05 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 3m81 h TYR 286 Cb 0.21 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 3m81 h TYR 286 CO -0.00 0.31 -0.00 -0.91 -1.64 0.00 0.00 178.16 175.92 3m81 h ASN 287 N 0.50 0.68 1.25 -2.11 2.35 -0.20 -2.32 115.58 115.73 3m81 h ASN 287 Ca 0.14 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3m81 h ASN 287 Cb -0.04 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.15 3m81 h ASN 287 CO -0.03 0.76 -0.04 -1.22 -1.65 0.00 0.00 177.43 175.25 3m81 n TYR 288 N -4.23 0.56 -1.70 1.19 4.01 -0.91 -4.88 117.16 111.21 3m81 n TYR 288 Ca 0.02 0.16 -0.43 0.00 -0.16 0.00 0.00 57.90 57.50 3m81 n TYR 288 Cb 0.29 -0.75 -0.03 0.00 -0.31 0.00 0.00 39.34 38.53 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 -1.96 2.61 1.05 -0.72 9.36 -0.66 -3.44 117.16 123.39 3m81 n TYR 289 Ca 0.06 -0.04 0.11 0.00 3.32 0.00 0.00 57.90 61.35 3m81 n TYR 289 Cb 0.40 -2.69 0.09 0.00 -0.63 0.00 0.00 39.34 36.50 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 4.95 3.82 -1.97 2.98 0.00 -0.76 -4.92 120.51 124.61 3m81 n ALA 290 Ca 0.18 -0.53 -0.23 0.00 0.00 0.00 0.00 53.44 52.86 3m81 n ALA 290 Cb 0.35 -0.92 0.06 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.73 1.79 0.35 0.00 0.00 -0.60 -4.77 107.32 101.36 3m81 s GLY 291 Ca 0.15 -1.40 -0.29 0.00 0.00 0.00 0.00 44.72 43.19 3m81 s GLY 291 CO 0.67 -1.00 1.51 -1.05 0.00 0.00 0.00 173.10 173.23 3m81 n PRO 292 N -2.59 2.66 -3.68 2.90 -0.02 -1.26 -4.87 135.00 128.14 3m81 n PRO 292 Ca 0.10 0.94 -0.15 0.00 -2.02 0.00 0.00 63.50 62.37 3m81 n PRO 292 Cb 0.60 -2.68 -0.08 0.00 -0.02 0.00 0.00 33.50 31.33 3m81 n PRO 292 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3m81 s LYS 293 N -1.60 0.81 0.03 -0.52 -2.85 -1.26 -0.97 119.74 113.38 3m81 s LYS 293 Ca 0.57 -0.09 0.00 0.00 -1.00 0.00 0.00 55.97 55.45 3m81 s LYS 293 Cb -0.49 0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 35.62 3m81 s LYS 293 CO 0.59 -0.24 -0.04 -1.21 0.10 0.00 0.00 175.35 174.55 3m81 s GLU 294 N -1.42 0.43 -0.05 1.78 2.02 -0.67 -4.97 118.70 115.82 3m81 s GLU 294 Ca -0.12 -0.80 0.03 0.00 0.02 0.00 0.00 54.97 54.10 3m81 s GLU 294 Cb -0.03 0.06 0.01 0.00 0.10 0.00 0.00 34.13 34.27 3m81 s GLU 294 CO 0.05 -0.05 -0.13 -1.50 0.02 0.00 0.00 175.26 173.65 3m81 s ILE 295 N -2.11 1.16 -0.21 -1.63 2.07 -1.26 -0.54 121.20 118.68 3m81 s ILE 295 Ca -0.09 -0.53 -0.16 0.00 -1.41 0.00 0.00 60.65 58.46 3m81 s ILE 295 Cb -0.05 -1.03 -0.04 0.00 0.13 0.00 0.00 42.46 41.47 3m81 s ILE 295 CO -0.03 0.35 0.41 -0.13 -1.91 0.00 0.00 174.94 173.63 3m81 s ARG 296 N 0.37 4.16 -0.20 3.50 1.81 -0.26 -4.96 118.95 123.38 3m81 s ARG 296 Ca -0.09 0.22 -0.05 0.00 -1.72 0.00 0.00 55.73 54.08 3m81 s ARG 296 Cb -0.13 -3.55 -0.03 0.00 -0.45 0.00 0.00 34.95 30.79 3m81 s ARG 296 CO 0.03 -0.07 0.01 0.42 -0.68 0.00 0.00 175.30 175.01 3m81 s ILE 297 N 1.41 4.09 -0.50 1.52 1.01 -1.26 -1.63 121.20 125.83 3m81 s ILE 297 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.58 3m81 s ILE 297 Cb -0.15 -2.85 0.13 0.00 0.01 0.00 0.00 42.46 39.60 3m81 s ILE 297 CO 0.08 0.43 0.27 -0.31 0.00 0.00 0.00 174.94 175.42 3m81 s TYR 298 N 0.89 3.44 0.36 3.97 2.02 0.04 -4.98 117.35 123.10 3m81 s TYR 298 Ca 0.01 -2.84 0.20 0.00 -0.37 0.00 0.00 57.07 54.07 3m81 s TYR 298 Cb -0.14 -3.05 1.05 0.00 -0.40 0.00 0.00 41.96 39.42 3m81 s TYR 298 CO 0.02 -0.86 1.93 -1.35 -1.57 0.00 0.00 175.55 173.73 3m81 h PRO 299 N 7.18 0.00 -0.08 -1.71 0.11 -1.96 -2.13 132.00 133.42 3m81 h PRO 299 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3m81 h PRO 299 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3m81 h PRO 299 CO 0.67 0.24 0.00 0.66 -0.21 0.00 0.00 178.00 179.36 3m81 n TYR 300 N -3.85 0.07 -3.41 0.65 4.01 -1.26 -4.14 117.16 109.23 3m81 n TYR 300 Ca -0.02 -0.05 -0.36 0.00 -0.16 0.00 0.00 57.90 57.31 3m81 n TYR 300 Cb 0.33 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.30 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 -1.46 6.83 0.00 7.72 -0.87 -1.01 -4.83 114.94 121.32 3m81 s ASN 301 Ca 0.23 1.03 0.00 0.00 -1.57 0.00 0.00 52.86 52.55 3m81 s ASN 301 Cb 0.16 -2.27 0.00 0.00 -0.02 0.00 0.00 41.25 39.11 3m81 s ASN 301 CO 0.23 0.20 0.00 0.59 -2.57 0.00 0.00 177.10 175.55 3m81 n ASN 302 N 1.23 0.00 0.22 -1.22 3.02 -1.26 -1.54 115.26 115.71 3m81 n ASN 302 Ca -0.09 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.62 3m81 n ASN 302 Cb 0.52 0.00 0.70 0.00 -0.61 0.00 0.00 39.78 40.39 3m81 n ASN 302 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 3m81 h HIS 303 N 0.00 0.00 0.00 3.10 2.76 -1.91 -2.09 115.15 117.01 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 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.40 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 -0.76 2.76 0.00 1.06 0.00 -0.78 -2.36 105.19 105.11 3m81 n GLY 305 Ca -0.00 -0.37 0.14 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.26 7.00 -0.02 0.00 -1.26 -4.80 105.19 104.84 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 1.16 2.57 0.24 -0.02 0.00 -0.99 -1.51 105.19 106.64 3m81 n GLY 307 Ca 0.12 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 2.06 0.00 -0.56 1.61 0.02 -1.94 -2.42 113.55 112.32 3m81 h SER 308 Ca 0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 3m81 h SER 308 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 3m81 h SER 308 CO 0.00 0.18 0.31 -0.26 -1.14 0.00 0.00 176.83 175.92 3m81 h PHE 309 N 0.00 0.56 -0.23 3.45 -1.00 -1.69 -2.48 116.94 115.55 3m81 h PHE 309 Ca -0.00 0.02 -0.10 0.00 2.81 0.00 0.00 57.97 60.70 3m81 h PHE 309 Cb 0.42 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 3m81 h PHE 309 CO 0.00 0.29 -0.27 0.37 -1.61 0.00 0.00 178.31 177.09 3m81 h GLN 310 N 0.59 0.45 -0.61 1.51 5.75 -1.14 -2.23 115.11 119.43 3m81 h GLN 310 Ca 0.24 -0.17 0.01 0.00 -0.15 0.00 0.00 58.65 58.57 3m81 h GLN 310 Cb 0.11 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 3m81 h GLN 310 CO -0.14 0.68 0.40 0.00 -2.65 0.00 0.00 178.83 177.12 3m81 h ALA 311 N 1.32 0.77 -0.39 3.38 0.00 -1.33 0.05 119.26 123.06 3m81 h ALA 311 Ca 0.06 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3m81 h ALA 311 Cb 0.68 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3m81 h ALA 311 CO 0.05 0.20 0.17 0.28 0.00 0.00 0.00 179.25 179.96 3m81 h VAL 312 N 0.82 0.94 -0.61 0.00 2.07 -1.15 -1.96 116.25 116.36 3m81 h VAL 312 Ca 0.22 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.65 3m81 h VAL 312 Cb -0.09 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 3m81 h VAL 312 CO -0.05 0.07 0.41 -0.33 0.02 0.00 0.00 177.57 177.68 3m81 h GLU 313 N 0.36 0.70 -0.16 1.57 4.39 -0.75 -2.08 114.58 118.61 3m81 h GLU 313 Ca 0.17 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.76 3m81 h GLU 313 Cb 0.10 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 3m81 h GLU 313 CO -0.14 0.46 -0.16 1.96 -1.16 0.00 0.00 179.01 179.98 3m81 h GLN 314 N 0.72 0.38 -0.31 2.33 4.20 -0.36 -0.33 115.11 121.74 3m81 h GLN 314 Ca 0.25 -0.20 0.02 0.00 0.06 0.00 0.00 58.65 58.77 3m81 h GLN 314 Cb 0.09 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3m81 h GLN 314 CO -0.07 0.76 0.16 0.28 -0.67 0.00 0.00 178.83 179.29 3m81 h VAL 315 N 0.02 0.99 -0.66 -0.54 2.07 -1.19 -1.70 116.25 115.24 3m81 h VAL 315 Ca 0.02 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.44 3m81 h VAL 315 Cb 0.69 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3m81 h VAL 315 CO 0.04 0.06 0.44 0.11 0.02 0.00 0.00 177.57 178.24 3m81 h LYS 316 N 0.33 0.86 -0.34 1.57 1.57 -1.32 -1.81 116.57 117.44 3m81 h LYS 316 Ca 0.13 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3m81 h LYS 316 Cb 0.04 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 3m81 h LYS 316 CO -0.08 0.57 0.18 0.35 -0.57 0.00 0.00 179.45 179.90 3m81 h PHE 317 N 0.89 0.47 -0.26 -1.35 3.57 -0.78 -2.28 116.94 117.20 3m81 h PHE 317 Ca 0.25 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.59 3m81 h PHE 317 Cb -0.09 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.50 3m81 h PHE 317 CO -0.03 0.38 -0.38 -0.07 -2.23 0.00 0.00 178.31 175.98 3m81 h LEU 318 N 0.43 0.79 -0.28 0.59 3.38 -1.21 -1.04 115.31 117.96 3m81 h LEU 318 Ca 0.12 -0.51 0.06 0.00 0.09 0.00 0.00 57.88 57.64 3m81 h LEU 318 Cb 0.07 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 3m81 h LEU 318 CO -0.02 1.15 -0.11 0.50 0.09 0.00 0.00 178.44 180.05 3m81 h LYS 319 N 0.46 -0.06 -0.64 1.13 3.64 -1.28 0.10 116.57 119.93 3m81 h LYS 319 Ca 0.03 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 3m81 h LYS 319 Cb 0.97 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 3m81 h LYS 319 CO 0.09 -0.04 0.07 -0.22 -2.27 0.00 0.00 179.45 177.08 3m81 h LYS 320 N -0.06 1.07 -0.58 1.90 3.64 -1.39 -2.87 116.57 118.29 3m81 h LYS 320 Ca 0.14 -0.30 0.01 0.00 -1.27 0.00 0.00 60.65 59.23 3m81 h LYS 320 Cb 0.28 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 3m81 h LYS 320 CO -0.32 1.00 0.38 1.25 -2.27 0.00 0.00 179.45 179.49 3m81 h LEU 321 N 0.99 0.67 -1.30 5.20 5.85 -0.51 -3.11 115.31 123.09 3m81 h LEU 321 Ca 0.19 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3m81 h LEU 321 Cb 0.48 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3m81 h LEU 321 CO 0.02 0.49 0.00 0.49 -0.34 0.00 0.00 178.44 179.09 3m81 n PHE 322 N -4.68 0.36 0.09 1.25 3.72 -0.04 -2.47 117.46 115.70 3m81 n PHE 322 Ca 0.04 -0.18 0.08 0.00 -0.05 0.00 0.00 57.45 57.34 3m81 n PHE 322 Cb 0.02 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.55 3m81 n PHE 322 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3m81 h GLU 323 N 2.34 0.00 -0.01 -1.08 5.08 -1.44 -3.51 114.58 115.96 3m81 h GLU 323 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3m81 h GLU 323 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3m81 h GLU 323 CO 0.00 0.09 0.00 1.63 -1.00 0.00 0.00 179.01 179.73