#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m82 n PHE 4 N 0.00 0.11 -3.34 1.38 -1.74 -1.26 -4.98 117.46 107.63 3m82 n PHE 4 Ca 0.00 0.03 -0.05 0.00 -0.56 0.00 0.00 57.45 56.88 3m82 n PHE 4 Cb 0.00 -0.27 0.01 0.00 1.52 0.00 0.00 39.48 40.74 3m82 n PHE 4 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 3m82 n ASP 5 N -1.73 0.96 -4.75 5.98 -0.08 -1.26 -5.08 116.55 110.59 3m82 n ASP 5 Ca 0.03 -1.35 -0.39 0.00 -1.51 0.00 0.00 54.79 51.57 3m82 n ASP 5 Cb 0.39 -0.04 0.03 0.00 2.34 0.00 0.00 41.12 43.83 3m82 n ASP 5 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3m82 n LEU 6 N 0.00 5.20 -4.58 -2.67 4.77 -1.26 -4.96 117.00 113.50 3m82 n LEU 6 Ca 0.01 1.06 -0.38 0.00 -0.03 0.00 0.00 56.01 56.68 3m82 n LEU 6 Cb 0.12 -1.59 0.05 0.00 -2.33 0.00 0.00 43.42 39.67 3m82 n LEU 6 CO 0.07 -0.36 0.42 -2.65 -1.33 0.00 0.00 177.39 173.55 3m82 n PRO 7 N -0.49 0.80 -0.18 3.23 -0.02 -1.26 -4.60 135.00 132.47 3m82 n PRO 7 Ca 0.07 0.31 0.09 0.00 -2.02 0.00 0.00 63.50 61.95 3m82 n PRO 7 Cb 0.42 -2.04 0.38 0.00 -0.02 0.00 0.00 33.50 32.25 3m82 n PRO 7 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3m82 h LEU 8 N 0.43 0.61 -1.18 2.45 5.85 -1.99 -0.35 115.31 121.13 3m82 h LEU 8 Ca -0.48 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 3m82 h LEU 8 Cb 1.37 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 3m82 h LEU 8 CO 0.50 0.37 0.27 -0.33 -0.34 0.00 0.00 178.44 178.91 3m82 h GLU 9 N 0.68 0.84 -0.01 1.25 3.07 -2.00 -1.65 114.58 116.76 3m82 h GLU 9 Ca 0.33 -0.11 -0.25 0.00 -0.50 0.00 0.00 59.36 58.83 3m82 h GLU 9 Cb 0.40 -0.16 0.02 0.00 -0.84 0.00 0.00 28.75 28.18 3m82 h GLU 9 CO -0.12 0.66 -0.97 0.93 -1.40 0.00 0.00 179.01 178.12 3m82 h GLU 10 N 0.84 0.67 -0.76 2.33 5.08 -1.46 -3.25 114.58 118.01 3m82 h GLU 10 Ca 0.21 -0.71 0.13 0.00 -1.00 0.00 0.00 59.36 57.98 3m82 h GLU 10 Cb 0.11 0.20 -0.09 0.00 0.50 0.00 0.00 28.75 29.47 3m82 h GLU 10 CO -0.02 1.29 0.36 -0.07 -1.00 0.00 0.00 179.01 179.57 3m82 h LEU 11 N 0.33 0.41 -1.54 1.33 3.38 -0.97 -1.35 115.31 116.90 3m82 h LEU 11 Ca -0.12 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3m82 h LEU 11 Cb 1.63 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.41 3m82 h LEU 11 CO 0.19 0.19 0.00 0.11 0.09 0.00 0.00 178.44 179.02 3m82 h LYS 12 N 0.55 0.00 -0.04 1.13 1.57 -1.34 -2.49 116.57 115.96 3m82 h LYS 12 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 3m82 h LYS 12 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3m82 h LYS 12 CO -0.34 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.17 3m82 n LYS 13 N -2.69 0.61 -2.38 3.15 5.02 -0.96 -5.01 118.16 115.91 3m82 n LYS 13 Ca -0.00 -1.18 -0.43 0.00 -2.02 0.00 0.00 58.31 54.68 3m82 n LYS 13 Cb 0.19 -1.20 -0.02 0.00 -0.02 0.00 0.00 35.03 33.97 3m82 n LYS 13 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3m82 s TYR 14 N -0.87 2.58 -0.40 2.13 5.04 -0.55 -4.91 117.35 120.37 3m82 s TYR 14 Ca 0.13 0.81 0.08 0.00 -2.44 0.00 0.00 57.07 55.64 3m82 s TYR 14 Cb 0.09 -3.97 0.25 0.00 0.35 0.00 0.00 41.96 38.68 3m82 s TYR 14 CO 0.13 -1.89 0.55 -2.13 -1.34 0.00 0.00 175.55 170.87 3m82 n ARG 15 N 7.45 0.70 -1.50 4.97 0.63 -1.26 -4.38 116.66 123.26 3m82 n ARG 15 Ca 0.15 -3.09 -0.33 0.00 -0.92 0.00 0.00 57.85 53.67 3m82 n ARG 15 Cb 0.47 -1.25 0.08 0.00 0.45 0.00 0.00 32.46 32.20 3m82 n ARG 15 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3m82 s PRO 16 N -0.96 2.40 0.19 -0.14 0.04 -1.26 -4.90 135.00 130.37 3m82 s PRO 16 Ca 0.35 1.44 -0.32 0.00 0.04 0.00 0.00 61.00 62.50 3m82 s PRO 16 Cb 0.17 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.69 3m82 s PRO 16 CO -0.13 -1.57 1.72 -1.91 0.04 0.00 0.00 177.00 175.16 3m82 n GLU 17 N -2.85 2.70 -2.90 4.56 2.13 -1.26 -4.95 120.64 118.07 3m82 n GLU 17 Ca 0.11 0.97 -0.36 0.00 0.66 0.00 0.00 57.16 58.55 3m82 n GLU 17 Cb 0.52 -2.82 -0.06 0.00 0.27 0.00 0.00 31.44 29.34 3m82 n GLU 17 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3m82 s ARG 18 N 1.37 4.39 -0.16 5.31 0.52 -1.26 -5.07 118.95 124.04 3m82 s ARG 18 Ca 0.77 1.12 0.01 0.00 -0.52 0.00 0.00 55.73 57.10 3m82 s ARG 18 Cb -0.53 -2.68 0.02 0.00 0.52 0.00 0.00 34.95 32.28 3m82 s ARG 18 CO 0.34 0.24 -0.19 -0.47 0.02 0.00 0.00 175.30 175.25 3m82 s TYR 19 N -1.72 2.58 0.06 -0.53 5.04 -1.26 -5.12 117.35 116.40 3m82 s TYR 19 Ca 0.51 -1.48 -0.11 0.00 -2.44 0.00 0.00 57.07 53.55 3m82 s TYR 19 Cb -0.16 -1.81 0.01 0.00 0.35 0.00 0.00 41.96 40.36 3m82 s TYR 19 CO 0.21 -0.74 0.25 -1.83 -1.34 0.00 0.00 175.55 172.09 3m82 s GLU 20 N 1.28 0.80 0.63 4.97 -1.05 -1.26 -4.83 118.70 119.24 3m82 s GLU 20 Ca 0.03 -0.67 -0.13 0.00 -0.15 0.00 0.00 54.97 54.05 3m82 s GLU 20 Cb -0.13 0.34 -0.03 0.00 -0.44 0.00 0.00 34.13 33.87 3m82 s GLU 20 CO -0.11 -0.25 1.04 -1.21 0.95 0.00 0.00 175.26 175.68 3m82 s GLU 21 N -2.98 3.33 0.54 -4.83 0.41 -1.26 -4.96 118.70 108.96 3m82 s GLU 21 Ca -0.02 0.95 0.32 0.00 -0.41 0.00 0.00 54.97 55.81 3m82 s GLU 21 Cb 0.01 -2.04 1.49 0.00 -1.78 0.00 0.00 34.13 31.81 3m82 s GLU 21 CO -0.06 -0.78 2.05 0.87 -0.49 0.00 0.00 175.26 176.85 3m82 h LYS 22 N -0.14 0.00 -0.69 1.61 1.57 -2.04 -2.54 116.57 114.34 3m82 h LYS 22 Ca -0.45 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.23 3m82 h LYS 22 Cb 1.20 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.45 3m82 h LYS 22 CO 0.59 0.07 0.13 -0.40 -0.57 0.00 0.00 179.45 179.27 3m82 n ASP 23 N -3.30 5.10 -0.09 0.86 5.75 -1.26 -4.62 116.55 118.99 3m82 n ASP 23 Ca -0.01 -3.01 -0.07 0.00 -0.01 0.00 0.00 54.79 51.69 3m82 n ASP 23 Cb 0.27 -0.71 -0.01 0.00 -1.03 0.00 0.00 41.12 39.64 3m82 n ASP 23 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3m82 h PHE 24 N 3.17 -0.70 -0.34 2.11 3.04 -1.84 0.96 116.94 123.34 3m82 h PHE 24 Ca 0.13 0.05 -0.11 0.00 3.98 0.00 0.00 57.97 62.01 3m82 h PHE 24 Cb 2.09 0.36 -0.01 0.00 2.56 0.00 0.00 35.95 40.94 3m82 h PHE 24 CO 1.14 -0.34 -0.25 -0.44 -2.02 0.00 0.00 178.31 176.40 3m82 h ASP 25 N -0.22 0.69 0.08 0.41 3.32 -1.86 -2.85 116.42 115.98 3m82 h ASP 25 Ca 0.17 -0.25 -0.20 0.00 0.02 0.00 0.00 57.03 56.76 3m82 h ASP 25 Cb 0.49 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3m82 h ASP 25 CO -0.47 0.92 -0.76 -0.33 -1.72 0.00 0.00 179.24 176.89 3m82 h GLU 26 N 0.59 0.58 -0.50 3.56 3.07 -1.82 -0.68 114.58 119.38 3m82 h GLU 26 Ca 0.08 -0.48 0.10 0.00 -0.50 0.00 0.00 59.36 58.56 3m82 h GLU 26 Cb 0.74 0.10 -0.09 0.00 -0.84 0.00 0.00 28.75 28.67 3m82 h GLU 26 CO 0.06 1.10 -0.03 0.35 -1.40 0.00 0.00 179.01 179.09 3m82 h PHE 27 N 0.39 -0.08 -0.09 4.33 3.57 -0.74 -1.04 116.94 123.28 3m82 h PHE 27 Ca -0.04 0.04 -0.20 0.00 3.53 0.00 0.00 57.97 61.30 3m82 h PHE 27 Cb 1.36 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 40.21 3m82 h PHE 27 CO 0.06 -0.14 -0.76 -1.49 -2.23 0.00 0.00 178.31 173.75 3m82 h TRP 28 N 0.09 0.67 -0.15 0.41 4.06 -1.27 -1.90 115.95 117.86 3m82 h TRP 28 Ca 0.25 -0.30 -0.00 0.00 2.06 0.00 0.00 58.89 60.90 3m82 h TRP 28 Cb 0.39 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.44 3m82 h TRP 28 CO -0.34 1.08 0.09 0.93 -3.56 0.00 0.00 178.44 176.64 3m82 h GLU 29 N 0.33 0.20 -0.72 0.49 5.08 -0.98 -1.19 114.58 117.79 3m82 h GLU 29 Ca -0.04 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3m82 h GLU 29 Cb 1.36 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.53 3m82 h GLU 29 CO 0.14 0.19 0.30 0.93 -1.00 0.00 0.00 179.01 179.57 3m82 h GLU 30 N 0.15 1.07 0.07 2.33 5.08 -1.23 -0.47 114.58 121.59 3m82 h GLU 30 Ca 0.05 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3m82 h GLU 30 Cb 0.04 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.12 3m82 h GLU 30 CO -0.01 0.87 -0.03 1.15 -1.00 0.00 0.00 179.01 179.98 3m82 h THR 31 N 1.02 0.94 -0.44 1.13 2.02 -1.21 -1.41 112.91 114.97 3m82 h THR 31 Ca 0.24 -0.05 -0.06 0.00 0.77 0.00 0.00 66.41 67.31 3m82 h THR 31 Cb 0.19 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3m82 h THR 31 CO -0.02 0.01 0.03 -0.07 0.37 0.00 0.00 175.52 175.84 3m82 h LEU 32 N -0.12 0.75 -0.37 2.58 3.38 -1.13 -2.65 115.31 117.74 3m82 h LEU 32 Ca -0.01 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.70 3m82 h LEU 32 Cb 0.09 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3m82 h LEU 32 CO 0.02 0.85 0.18 0.00 0.09 0.00 0.00 178.44 179.58 3m82 h ALA 33 N 0.92 0.46 -0.64 1.53 0.00 -1.02 -0.59 119.26 119.92 3m82 h ALA 33 Ca 0.13 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3m82 h ALA 33 Cb 0.45 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3m82 h ALA 33 CO 0.02 -0.19 0.39 0.93 0.00 0.00 0.00 179.25 180.40 3m82 h GLU 34 N 0.37 0.74 0.00 0.00 5.08 -1.22 -2.97 114.58 116.59 3m82 h GLU 34 Ca 0.16 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 3m82 h GLU 34 Cb 0.08 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3m82 h GLU 34 CO -0.12 0.49 -0.61 0.77 -1.00 0.00 0.00 179.01 178.54 3m82 h SER 35 N 0.77 0.00 0.85 1.42 0.02 -1.11 -3.11 113.55 112.38 3m82 h SER 35 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3m82 h SER 35 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3m82 h SER 35 CO -0.11 0.61 0.00 -0.33 -1.14 0.00 0.00 176.83 175.86 3m82 h GLU 36 N 0.00 0.00 0.00 3.45 5.08 -0.96 -2.83 114.58 119.32 3m82 h GLU 36 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3m82 h GLU 36 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3m82 h GLU 36 CO 0.08 0.00 0.00 0.87 -1.00 0.00 0.00 179.01 178.96 3m82 h LYS 37 N 0.00 0.00 -6.01 2.33 1.57 -1.46 -3.42 116.57 109.58 3m82 h LYS 37 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 3m82 h LYS 37 Cb 0.42 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.68 3m82 h LYS 37 CO 0.00 0.00 -0.21 -0.06 -0.57 0.00 0.00 179.45 178.61 3m82 s PHE 38 N -3.77 3.72 0.39 -1.35 0.40 -1.07 -5.06 117.98 111.24 3m82 s PHE 38 Ca -0.00 0.97 -0.27 0.00 -0.60 0.00 0.00 56.93 57.03 3m82 s PHE 38 Cb 0.10 -2.27 -0.10 0.00 0.51 0.00 0.00 43.02 41.26 3m82 s PHE 38 CO 0.51 0.64 1.42 -2.14 0.70 0.00 0.00 175.22 176.34 3m82 s PRO 39 N -1.15 4.04 0.23 0.24 0.02 -1.26 -4.91 135.00 132.21 3m82 s PRO 39 Ca 0.24 2.42 -0.06 0.00 0.02 0.00 0.00 61.00 63.62 3m82 s PRO 39 Cb -0.16 -2.89 0.34 0.00 0.02 0.00 0.00 34.50 31.81 3m82 s PRO 39 CO 0.14 -0.53 1.81 1.25 -0.33 0.00 0.00 177.00 179.34 3m82 h LEU 40 N 2.87 0.65 -3.30 -5.54 5.85 -1.91 -3.42 115.31 110.51 3m82 h LEU 40 Ca -0.50 0.04 -0.51 0.00 0.84 0.00 0.00 57.88 57.75 3m82 h LEU 40 Cb 1.24 -0.09 0.02 0.00 0.37 0.00 0.00 40.66 42.21 3m82 h LEU 40 CO 0.63 0.39 -0.96 0.47 -0.34 0.00 0.00 178.44 178.63 3m82 n ASP 41 N -4.74 -4.10 -4.76 1.25 8.00 -1.26 -1.18 116.55 109.75 3m82 n ASP 41 Ca 0.12 -1.13 -0.40 0.00 0.71 0.00 0.00 54.79 54.08 3m82 n ASP 41 Cb 0.23 -2.64 -0.04 0.00 -0.02 0.00 0.00 41.12 38.66 3m82 n ASP 41 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3m82 s PRO 42 N -6.64 4.56 -0.10 -0.24 0.04 -1.26 -4.49 135.00 126.87 3m82 s PRO 42 Ca 0.42 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.36 3m82 s PRO 42 Cb -0.18 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.21 3m82 s PRO 42 CO 0.91 0.08 -0.08 0.08 0.04 0.00 0.00 177.00 178.03 3m82 s VAL 43 N -0.99 1.02 -0.17 -0.36 1.01 0.17 -5.01 120.40 116.06 3m82 s VAL 43 Ca 0.47 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.14 3m82 s VAL 43 Cb -0.34 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.05 3m82 s VAL 43 CO 0.43 0.36 -0.21 -0.36 0.00 0.00 0.00 175.10 175.32 3m82 s PHE 44 N 1.40 2.75 -0.18 5.22 0.08 -1.26 -1.95 117.98 124.03 3m82 s PHE 44 Ca -0.01 -1.56 0.00 0.00 0.12 0.00 0.00 56.93 55.48 3m82 s PHE 44 Cb -0.13 -1.89 0.04 0.00 -0.57 0.00 0.00 43.02 40.46 3m82 s PHE 44 CO -0.05 -0.75 -0.09 -2.00 -0.10 0.00 0.00 175.22 172.23 3m82 s GLU 45 N 1.15 1.90 0.24 0.44 2.56 -0.43 -4.95 118.70 119.61 3m82 s GLU 45 Ca 0.01 -0.70 -0.30 0.00 0.00 0.00 0.00 54.97 53.98 3m82 s GLU 45 Cb -0.14 -2.25 -0.10 0.00 2.00 0.00 0.00 34.13 33.65 3m82 s GLU 45 CO -0.10 -0.40 1.41 0.50 -0.56 0.00 0.00 175.26 176.12 3m82 s ARG 46 N 1.48 4.29 0.00 4.30 3.52 -1.26 -0.62 118.95 130.66 3m82 s ARG 46 Ca 0.00 2.25 -0.02 0.00 -0.13 0.00 0.00 55.73 57.83 3m82 s ARG 46 Cb -0.15 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 3m82 s ARG 46 CO -0.08 -0.38 0.17 -1.64 -0.81 0.00 0.00 175.30 172.55 3m82 s MET 47 N -0.33 3.37 -0.05 5.12 -1.94 -0.26 -4.90 119.30 120.31 3m82 s MET 47 Ca 0.59 -0.37 -0.30 0.00 -1.71 0.00 0.00 55.69 53.90 3m82 s MET 47 Cb -0.41 -3.05 -0.04 0.00 2.01 0.00 0.00 34.83 33.35 3m82 s MET 47 CO 0.42 0.66 1.24 -2.00 -0.01 0.00 0.00 175.02 175.33 3m82 s GLU 48 N -1.99 4.34 0.04 2.03 2.12 -1.26 -4.75 118.70 119.22 3m82 s GLU 48 Ca 0.28 1.72 -0.12 0.00 0.36 0.00 0.00 54.97 57.20 3m82 s GLU 48 Cb -0.13 -3.57 0.01 0.00 0.26 0.00 0.00 34.13 30.71 3m82 s GLU 48 CO 0.19 -0.48 0.26 0.45 -0.54 0.00 0.00 175.26 175.14 3m82 s SER 49 N 1.57 -0.07 0.00 -1.70 0.15 -1.26 -5.02 113.70 107.37 3m82 s SER 49 Ca 0.57 -0.24 0.28 0.00 0.70 0.00 0.00 55.95 57.26 3m82 s SER 49 Cb -0.26 0.33 1.09 0.00 -1.71 0.00 0.00 66.02 65.47 3m82 s SER 49 CO 0.22 -0.58 1.82 1.41 1.20 0.00 0.00 173.24 177.31 3m82 n HIS 50 N 0.67 0.00 -1.71 3.44 8.25 -1.26 -4.90 115.22 119.71 3m82 n HIS 50 Ca -0.19 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.84 3m82 n HIS 50 Cb 0.59 -0.42 -0.02 0.00 1.12 0.00 0.00 29.99 31.26 3m82 n HIS 50 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3m82 n LEU 51 N -1.46 3.84 -0.02 2.41 4.77 -1.26 -4.94 117.00 120.33 3m82 n LEU 51 Ca 0.07 1.13 -0.01 0.00 -0.03 0.00 0.00 56.01 57.18 3m82 n LEU 51 Cb 0.33 -1.53 -0.06 0.00 -2.33 0.00 0.00 43.42 39.84 3m82 n LEU 51 CO 0.28 -0.08 -0.68 0.29 -1.33 0.00 0.00 177.39 175.88 3m82 n LYS 52 N 2.38 1.98 0.00 3.23 4.76 -1.26 -4.68 118.16 124.57 3m82 n LYS 52 Ca 0.11 -0.03 0.11 0.00 -2.87 0.00 0.00 58.31 55.64 3m82 n LYS 52 Cb 0.34 -1.18 0.09 0.00 -1.84 0.00 0.00 35.03 32.45 3m82 n LYS 52 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3m82 n THR 53 N -2.09 0.00 -3.97 -0.18 -2.24 -1.26 -4.92 114.28 99.61 3m82 n THR 53 Ca -0.08 -0.20 -0.12 0.00 -2.27 0.00 0.00 64.05 61.38 3m82 n THR 53 Cb 0.55 0.98 -0.13 0.00 -2.10 0.00 0.00 70.33 69.62 3m82 n THR 53 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3m82 s VAL 54 N -2.54 0.16 -0.10 2.28 1.01 -1.26 -1.13 120.40 118.81 3m82 s VAL 54 Ca 0.19 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 61.65 3m82 s VAL 54 Cb 0.18 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 36.32 3m82 s VAL 54 CO 0.59 -0.14 0.35 -1.61 0.00 0.00 0.00 175.10 174.29 3m82 s GLU 55 N -0.54 4.11 -0.10 2.72 2.02 0.82 -4.83 118.70 122.91 3m82 s GLU 55 Ca -0.04 0.24 0.02 0.00 0.02 0.00 0.00 54.97 55.20 3m82 s GLU 55 Cb -0.04 -3.35 -0.02 0.00 0.10 0.00 0.00 34.13 30.82 3m82 s GLU 55 CO -0.00 0.39 -0.16 0.00 0.02 0.00 0.00 175.26 175.51 3m82 s ALA 56 N -0.05 2.54 -0.05 5.21 0.00 -1.26 -0.45 121.76 127.70 3m82 s ALA 56 Ca 0.20 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.29 3m82 s ALA 56 Cb -0.14 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 3m82 s ALA 56 CO 0.08 0.35 -0.23 0.71 0.00 0.00 0.00 175.76 176.66 3m82 s TYR 57 N 0.03 2.45 -0.10 0.00 1.51 0.17 -1.11 117.35 120.31 3m82 s TYR 57 Ca -0.05 -0.53 -0.30 0.00 -1.01 0.00 0.00 57.07 55.18 3m82 s TYR 57 Cb -0.15 -1.58 -0.02 0.00 -0.11 0.00 0.00 41.96 40.10 3m82 s TYR 57 CO 0.05 -0.09 1.20 0.34 -1.11 0.00 0.00 175.55 175.94 3m82 s ASP 58 N -0.39 7.03 -0.03 2.29 2.15 0.21 -1.18 116.67 126.75 3m82 s ASP 58 Ca 0.03 1.75 0.00 0.00 0.43 0.00 0.00 52.55 54.76 3m82 s ASP 58 Cb -0.12 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.91 3m82 s ASP 58 CO 0.02 -0.64 -0.01 -0.69 -0.17 0.00 0.00 175.17 173.68 3m82 s VAL 59 N 2.65 4.15 -0.02 1.11 1.01 -0.45 -1.32 120.40 127.53 3m82 s VAL 59 Ca 0.55 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.04 3m82 s VAL 59 Cb -0.23 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.36 3m82 s VAL 59 CO 0.19 0.46 0.01 -0.89 0.00 0.00 0.00 175.10 174.87 3m82 s THR 60 N -1.00 0.07 0.13 3.92 2.01 -0.82 -1.45 115.64 118.50 3m82 s THR 60 Ca 0.17 0.09 -0.11 0.00 0.31 0.00 0.00 61.69 62.15 3m82 s THR 60 Cb -0.11 -0.15 0.00 0.00 0.01 0.00 0.00 72.50 72.25 3m82 s THR 60 CO 0.07 0.09 0.28 0.72 -0.69 0.00 0.00 174.62 175.09 3m82 s PHE 61 N 0.70 0.17 -0.24 4.92 -0.71 -0.89 -0.66 117.98 121.27 3m82 s PHE 61 Ca -0.06 -0.55 -0.17 0.00 -1.04 0.00 0.00 56.93 55.11 3m82 s PHE 61 Cb -0.09 0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.71 3m82 s PHE 61 CO -0.02 -0.66 0.45 -1.12 -1.34 0.00 0.00 175.22 172.53 3m82 s SER 62 N -2.89 6.41 0.00 1.98 0.01 -0.33 -0.57 113.70 118.31 3m82 s SER 62 Ca 0.10 0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.84 3m82 s SER 62 Cb 0.03 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 64.01 3m82 s SER 62 CO -0.06 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.01 3m82 n GLY 63 N 4.26 0.54 3.68 3.44 0.00 0.24 -4.78 105.19 112.58 3m82 n GLY 63 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3m82 n GLY 63 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3m82 s TYR 64 N 3.22 1.76 -1.53 1.61 5.04 -1.26 -3.53 117.35 122.67 3m82 s TYR 64 Ca 0.00 -0.23 -0.09 0.00 -2.44 0.00 0.00 57.07 54.31 3m82 s TYR 64 Cb 0.00 -4.22 0.07 0.00 0.35 0.00 0.00 41.96 38.16 3m82 s TYR 64 CO 0.00 -5.22 0.67 0.54 -1.34 0.00 0.00 175.55 170.21 3m82 n ARG 65 N 6.47 -3.80 -0.91 4.97 1.74 -1.26 -1.20 116.66 122.67 3m82 n ARG 65 Ca 0.19 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.71 3m82 n ARG 65 Cb 0.39 -4.96 0.00 0.00 -1.02 0.00 0.00 32.46 26.88 3m82 n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3m82 n GLY 66 N -1.70 0.50 3.75 -0.13 0.00 -1.23 -4.99 105.19 101.39 3m82 n GLY 66 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 3m82 n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3m82 s GLN 67 N -0.50 4.81 -0.24 1.61 -0.21 -0.34 -4.67 119.66 120.12 3m82 s GLN 67 Ca 0.00 1.54 -0.18 0.00 0.02 0.00 0.00 55.36 56.74 3m82 s GLN 67 Cb 0.00 -3.27 -0.03 0.00 1.00 0.00 0.00 33.01 30.71 3m82 s GLN 67 CO 0.00 0.45 0.53 1.03 -2.12 0.00 0.00 175.29 175.17 3m82 s ARG 68 N -1.12 4.10 -0.10 2.91 1.81 -1.26 -0.59 118.95 124.70 3m82 s ARG 68 Ca 0.42 0.37 0.01 0.00 -1.72 0.00 0.00 55.73 54.81 3m82 s ARG 68 Cb -0.27 -3.63 -0.02 0.00 -0.45 0.00 0.00 34.95 30.58 3m82 s ARG 68 CO 0.33 -0.31 -0.12 0.42 -0.68 0.00 0.00 175.30 174.95 3m82 s ILE 69 N 2.16 3.21 0.59 1.52 -1.09 0.27 -4.85 121.20 123.00 3m82 s ILE 69 Ca 0.22 -0.63 -0.07 0.00 -2.23 0.00 0.00 60.65 57.94 3m82 s ILE 69 Cb -0.16 -2.32 -0.01 0.00 -1.58 0.00 0.00 42.46 38.39 3m82 s ILE 69 CO 0.09 0.55 0.93 -0.54 -1.23 0.00 0.00 174.94 174.73 3m82 s LYS 70 N -0.07 3.15 0.24 2.79 -0.14 -1.26 -2.09 119.74 122.36 3m82 s LYS 70 Ca -0.02 0.23 -0.21 0.00 -1.36 0.00 0.00 55.97 54.62 3m82 s LYS 70 Cb -0.14 -2.23 0.07 0.00 -1.68 0.00 0.00 37.83 33.86 3m82 s LYS 70 CO 0.04 -0.62 0.97 0.20 -0.76 0.00 0.00 175.35 175.18 3m82 s GLY 71 N -4.25 0.17 0.08 -3.33 0.00 -0.53 -1.96 107.32 97.50 3m82 s GLY 71 Ca 0.53 -0.44 0.09 0.00 0.00 0.00 0.00 44.72 44.91 3m82 s GLY 71 CO 0.47 1.73 -0.25 -0.98 0.00 0.00 0.00 173.10 174.08 3m82 s TRP 72 N -2.22 2.13 -0.15 1.90 0.23 -0.55 -1.35 118.94 118.93 3m82 s TRP 72 Ca 0.20 -0.40 0.02 0.00 -2.03 0.00 0.00 56.10 53.89 3m82 s TRP 72 Cb -0.03 -1.22 0.02 0.00 0.03 0.00 0.00 33.47 32.26 3m82 s TRP 72 CO 0.07 0.19 -0.19 -1.17 0.96 0.00 0.00 176.95 176.81 3m82 s LEU 73 N -1.56 1.99 -0.26 2.99 2.96 -0.32 -0.81 118.68 123.67 3m82 s LEU 73 Ca 0.11 -0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 53.40 3m82 s LEU 73 Cb -0.10 -1.36 0.01 0.00 0.50 0.00 0.00 46.19 45.24 3m82 s LEU 73 CO 0.03 0.03 0.02 -0.76 -1.32 0.00 0.00 176.35 174.35 3m82 s LEU 74 N 1.07 3.43 -0.28 -0.68 2.01 -0.29 -0.65 118.68 123.29 3m82 s LEU 74 Ca -0.02 -0.64 -0.05 0.00 0.01 0.00 0.00 54.13 53.44 3m82 s LEU 74 Cb -0.14 -1.80 0.02 0.00 0.01 0.00 0.00 46.19 44.28 3m82 s LEU 74 CO -0.06 -0.12 0.03 -0.69 1.01 0.00 0.00 176.35 176.51 3m82 s VAL 75 N 1.46 3.51 0.34 -1.59 1.01 0.40 -1.27 120.40 124.26 3m82 s VAL 75 Ca 0.03 -0.89 -0.28 0.00 0.00 0.00 0.00 61.98 60.84 3m82 s VAL 75 Cb -0.16 -2.83 -0.09 0.00 0.00 0.00 0.00 36.38 33.29 3m82 s VAL 75 CO -0.01 0.09 1.20 -2.16 0.00 0.00 0.00 175.10 174.22 3m82 s PRO 76 N 1.41 4.35 -0.87 2.72 0.04 -1.26 -0.12 135.00 141.26 3m82 s PRO 76 Ca 0.01 1.97 -0.25 0.00 0.04 0.00 0.00 61.00 62.77 3m82 s PRO 76 Cb -0.17 -2.98 0.02 0.00 0.04 0.00 0.00 34.50 31.40 3m82 s PRO 76 CO -0.00 -0.10 1.53 0.15 0.04 0.00 0.00 177.00 178.62 3m82 s LYS 77 N -1.85 3.19 0.15 4.56 1.02 -0.28 -4.86 119.74 121.67 3m82 s LYS 77 Ca 0.50 -0.54 0.03 0.00 0.02 0.00 0.00 55.97 55.98 3m82 s LYS 77 Cb -0.34 -4.87 -0.04 0.00 -0.52 0.00 0.00 37.83 32.06 3m82 s LYS 77 CO 0.45 -2.45 -0.05 -0.51 -0.92 0.00 0.00 175.35 171.87 3m82 s LEU 78 N 6.52 2.35 0.42 3.17 1.43 -1.26 -5.00 118.68 126.31 3m82 s LEU 78 Ca 0.49 -1.08 0.16 0.00 -1.03 0.00 0.00 54.13 52.67 3m82 s LEU 78 Cb -0.05 -0.16 0.91 0.00 0.03 0.00 0.00 46.19 46.93 3m82 s LEU 78 CO 0.02 -0.47 1.90 -0.33 0.23 0.00 0.00 176.35 177.70 3m82 h GLU 79 N 2.78 0.00 -6.65 1.70 5.08 -2.02 -3.45 114.58 112.01 3m82 h GLU 79 Ca -0.36 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.47 3m82 h GLU 79 Cb 1.19 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.47 3m82 h GLU 79 CO 0.64 0.28 0.64 -2.00 -1.00 0.00 0.00 179.01 177.57 3m82 s GLU 80 N -4.24 4.40 0.14 2.33 2.12 -1.26 -4.95 118.70 117.23 3m82 s GLU 80 Ca -0.03 2.02 0.02 0.00 0.36 0.00 0.00 54.97 57.34 3m82 s GLU 80 Cb 0.14 -3.21 -0.09 0.00 0.26 0.00 0.00 34.13 31.22 3m82 s GLU 80 CO 0.69 -0.25 1.32 0.93 -0.54 0.00 0.00 175.26 177.41 3m82 h GLU 81 N 5.57 0.17 -5.61 4.30 3.07 -1.94 -3.43 114.58 116.71 3m82 h GLU 81 Ca -0.44 -0.22 -0.66 0.00 -0.50 0.00 0.00 59.36 57.54 3m82 h GLU 81 Cb 1.21 0.07 -0.32 0.00 -0.84 0.00 0.00 28.75 28.87 3m82 h GLU 81 CO 0.78 1.01 -0.87 0.15 -1.40 0.00 0.00 179.01 178.67 3m82 s LYS 82 N -3.01 2.60 0.21 2.33 -0.14 -1.26 -4.59 119.74 115.87 3m82 s LYS 82 Ca -0.02 -0.84 0.10 0.00 -1.36 0.00 0.00 55.97 53.86 3m82 s LYS 82 Cb 0.10 -2.10 -0.04 0.00 -1.68 0.00 0.00 37.83 34.10 3m82 s LYS 82 CO 0.84 0.27 -0.21 -0.51 -0.76 0.00 0.00 175.35 174.98 3m82 s LEU 83 N 0.09 2.48 0.76 3.17 1.43 0.45 -4.80 118.68 122.26 3m82 s LEU 83 Ca -0.10 -0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 51.98 3m82 s LEU 83 Cb -0.15 -1.01 0.05 0.00 0.03 0.00 0.00 46.19 45.10 3m82 s LEU 83 CO 0.05 0.03 1.08 -2.16 0.23 0.00 0.00 176.35 175.59 3m82 s PRO 84 N -2.98 2.34 -0.03 1.29 0.04 -1.26 -0.32 135.00 134.09 3m82 s PRO 84 Ca 0.22 1.04 0.01 0.00 0.04 0.00 0.00 61.00 62.31 3m82 s PRO 84 Cb -0.06 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.58 3m82 s PRO 84 CO 0.10 -1.55 -0.05 0.00 0.04 0.00 0.00 177.00 175.54 3m82 s VAL 86 N 0.47 3.94 -0.40 0.00 1.01 0.35 -0.22 120.40 125.55 3m82 s VAL 86 Ca -0.06 -0.31 -0.20 0.00 0.00 0.00 0.00 61.98 61.41 3m82 s VAL 86 Cb -0.10 -2.80 0.01 0.00 0.00 0.00 0.00 36.38 33.50 3m82 s VAL 86 CO -0.00 0.40 0.59 -0.69 0.00 0.00 0.00 175.10 175.41 3m82 s VAL 87 N 1.27 4.91 -0.23 2.92 1.01 0.71 -0.75 120.40 130.23 3m82 s VAL 87 Ca 0.04 0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.19 3m82 s VAL 87 Cb -0.15 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 3m82 s VAL 87 CO 0.01 -0.43 0.07 -1.58 0.00 0.00 0.00 175.10 173.17 3m82 s GLN 88 N 2.64 3.73 0.10 2.72 2.00 0.11 -0.78 119.66 130.19 3m82 s GLN 88 Ca 0.21 -0.45 0.02 0.00 -2.00 0.00 0.00 55.36 53.14 3m82 s GLN 88 Cb -0.15 -3.28 -0.04 0.00 0.80 0.00 0.00 33.01 30.34 3m82 s GLN 88 CO 0.16 -0.06 0.23 0.71 -0.50 0.00 0.00 175.29 175.83 3m82 s TYR 89 N 1.27 3.46 0.02 1.67 2.02 -0.14 -1.89 117.35 123.77 3m82 s TYR 89 Ca 0.05 0.17 0.04 0.00 -0.37 0.00 0.00 57.07 56.96 3m82 s TYR 89 Cb -0.15 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 39.68 3m82 s TYR 89 CO 0.03 0.55 -0.09 0.42 -1.57 0.00 0.00 175.55 174.89 3m82 s ILE 90 N -1.61 3.47 0.92 2.71 1.01 -1.26 -4.48 121.20 121.95 3m82 s ILE 90 Ca 0.34 -0.89 -0.11 0.00 0.00 0.00 0.00 60.65 59.99 3m82 s ILE 90 Cb -0.12 -2.51 0.14 0.00 0.01 0.00 0.00 42.46 39.98 3m82 s ILE 90 CO 0.28 0.36 1.10 -0.83 0.00 0.00 0.00 174.94 175.84 3m82 s GLY 91 N -1.50 1.64 0.24 6.18 0.00 -1.26 -3.28 107.32 109.34 3m82 s GLY 91 Ca 0.17 0.16 -0.31 0.00 0.00 0.00 0.00 44.72 44.74 3m82 s GLY 91 CO 0.08 0.64 1.35 2.98 0.00 0.00 0.00 173.10 178.15 3m82 n TYR 92 N -4.06 2.02 -1.06 1.90 9.36 -1.26 -1.54 117.16 122.52 3m82 n TYR 92 Ca 0.08 0.48 -0.02 0.00 3.32 0.00 0.00 57.90 61.76 3m82 n TYR 92 Cb 0.54 -2.42 -0.01 0.00 -0.63 0.00 0.00 39.34 36.81 3m82 n TYR 92 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3m82 n ASN 93 N 2.01 -4.73 -4.96 2.98 3.02 -1.26 -4.84 115.26 107.48 3m82 n ASN 93 Ca 0.11 0.05 -0.20 0.00 -0.03 0.00 0.00 54.58 54.52 3m82 n ASN 93 Cb 0.31 -2.41 0.01 0.00 -0.61 0.00 0.00 39.78 37.07 3m82 n ASN 93 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3m82 s GLY 94 N -2.15 2.01 0.12 7.41 0.00 -0.59 -0.89 107.32 113.24 3m82 s GLY 94 Ca 0.00 -1.80 -0.03 0.00 0.00 0.00 0.00 44.72 42.89 3m82 s GLY 94 CO 0.00 -1.67 0.21 0.61 0.00 0.00 0.00 173.10 172.26 3m82 n GLY 95 N -1.84 2.12 0.18 0.20 0.00 -0.85 -1.23 105.19 103.77 3m82 n GLY 95 Ca 0.07 -1.23 0.14 0.00 0.00 0.00 0.00 46.02 45.00 3m82 n GLY 95 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3m82 h ARG 96 N 0.00 0.00 0.00 1.61 0.11 -1.82 -3.43 114.38 110.85 3m82 h ARG 96 Ca -0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.98 3m82 h ARG 96 Cb 0.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.47 3m82 h ARG 96 CO 0.13 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.61 3m82 n GLY 97 N -0.28 3.10 3.80 0.08 0.00 0.01 -4.60 105.19 107.29 3m82 n GLY 97 Ca 0.01 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 3m82 n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m82 s PHE 98 N 0.00 3.16 0.38 1.61 0.08 -1.26 -4.95 117.98 116.99 3m82 s PHE 98 Ca 0.00 0.00 0.10 0.00 0.12 0.00 0.00 56.93 57.15 3m82 s PHE 98 Cb 0.00 -1.53 0.87 0.00 -0.57 0.00 0.00 43.02 41.79 3m82 s PHE 98 CO 0.00 0.52 1.91 -1.35 -0.10 0.00 0.00 175.22 176.20 3m82 h PRO 99 N 2.55 0.60 0.00 0.24 0.11 -2.00 -1.12 132.00 132.39 3m82 h PRO 99 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3m82 h PRO 99 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3m82 h PRO 99 CO 0.64 0.40 0.00 -2.39 -0.21 0.00 0.00 178.00 176.44 3m82 n HIS 100 N -4.52 0.00 1.58 0.65 1.44 -1.26 -2.42 115.22 110.69 3m82 n HIS 100 Ca 0.15 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 56.01 3m82 n HIS 100 Cb 0.43 -0.13 0.80 0.00 0.12 0.00 0.00 29.99 31.21 3m82 n HIS 100 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3m82 n ASP 101 N -1.13 0.03 -2.57 4.39 8.00 -0.42 -4.26 116.55 120.58 3m82 n ASP 101 Ca 0.09 -0.39 -0.11 0.00 0.71 0.00 0.00 54.79 55.09 3m82 n ASP 101 Cb 0.08 -0.20 0.03 0.00 -0.02 0.00 0.00 41.12 41.01 3m82 n ASP 101 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3m82 n TRP 102 N -1.19 1.84 0.96 1.24 7.02 -1.02 -4.90 117.44 121.39 3m82 n TRP 102 Ca 0.17 -2.43 0.13 0.00 -1.02 0.00 0.00 57.50 54.35 3m82 n TRP 102 Cb 0.21 -0.27 0.48 0.00 -2.42 0.00 0.00 31.31 29.30 3m82 n TRP 102 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3m82 n LEU 103 N -0.48 0.23 0.43 -0.99 4.77 -1.26 -4.34 117.00 115.35 3m82 n LEU 103 Ca 0.20 0.34 -0.20 0.00 -0.03 0.00 0.00 56.01 56.32 3m82 n LEU 103 Cb 0.82 -0.40 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 3m82 n LEU 103 CO 0.22 0.03 0.54 0.15 -1.33 0.00 0.00 177.39 177.00 3m82 h PHE 104 N 0.00 -1.33 -0.24 -1.77 3.57 -1.95 -1.92 116.94 113.30 3m82 h PHE 104 Ca 0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 3m82 h PHE 104 Cb 0.52 0.48 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 3m82 h PHE 104 CO 0.00 -0.74 0.11 -1.49 -2.23 0.00 0.00 178.31 173.96 3m82 h TRP 105 N -1.21 0.35 -0.73 0.41 4.06 -1.88 -2.43 115.95 114.53 3m82 h TRP 105 Ca -0.11 -0.02 0.13 0.00 2.06 0.00 0.00 58.89 60.96 3m82 h TRP 105 Cb 0.97 -0.11 -0.09 0.00 -1.00 0.00 0.00 29.16 28.93 3m82 h TRP 105 CO -0.11 0.35 0.28 -1.35 -3.56 0.00 0.00 178.44 174.04 3m82 h PRO 106 N 0.26 0.41 0.00 0.49 0.11 -1.54 -0.86 132.00 130.87 3m82 h PRO 106 Ca 0.08 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 3m82 h PRO 106 Cb 0.13 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.15 3m82 h PRO 106 CO -0.01 0.27 -0.09 0.77 -0.21 0.00 0.00 178.00 178.73 3m82 h SER 107 N 0.42 0.00 -0.35 -2.05 0.02 -0.98 -1.07 113.55 109.54 3m82 h SER 107 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 3m82 h SER 107 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 3m82 h SER 107 CO -0.39 0.09 0.00 0.23 -1.14 0.00 0.00 176.83 175.62 3m82 n MET 108 N -3.91 1.97 -0.83 3.45 2.81 -0.55 -4.93 117.12 115.13 3m82 n MET 108 Ca -0.02 -1.33 0.00 0.00 -1.81 0.00 0.00 57.70 54.54 3m82 n MET 108 Cb 0.18 -1.35 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 3m82 n MET 108 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3m82 n GLY 109 N 0.98 0.49 3.49 3.03 0.00 -0.40 -5.06 105.19 107.71 3m82 n GLY 109 Ca 0.12 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 3m82 n GLY 109 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m82 s TYR 110 N -2.00 2.88 0.36 1.61 1.51 -0.44 -4.42 117.35 116.85 3m82 s TYR 110 Ca 0.00 -0.27 -0.28 0.00 -1.01 0.00 0.00 57.07 55.51 3m82 s TYR 110 Cb 0.00 -1.79 -0.10 0.00 -0.11 0.00 0.00 41.96 39.95 3m82 s TYR 110 CO 0.00 0.07 1.39 0.42 -1.11 0.00 0.00 175.55 176.32 3m82 s ILE 111 N -0.20 2.40 -0.14 2.71 1.01 0.15 -2.50 121.20 124.63 3m82 s ILE 111 Ca 0.02 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.07 3m82 s ILE 111 Cb -0.13 -3.26 0.03 0.00 0.01 0.00 0.00 42.46 39.11 3m82 s ILE 111 CO 0.03 0.09 -0.11 0.00 0.00 0.00 0.00 174.94 174.95 3m82 s PHE 113 N 1.55 3.24 -0.33 0.00 2.19 0.07 -1.14 117.98 123.55 3m82 s PHE 113 Ca 0.04 -0.48 -0.13 0.00 0.33 0.00 0.00 56.93 56.69 3m82 s PHE 113 Cb -0.13 -2.55 -0.02 0.00 -1.31 0.00 0.00 43.02 39.01 3m82 s PHE 113 CO -0.10 -0.52 0.26 0.08 1.83 0.00 0.00 175.22 176.78 3m82 s VAL 114 N 1.69 5.27 -0.25 3.12 1.01 0.01 0.10 120.40 131.34 3m82 s VAL 114 Ca 0.05 -0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.72 3m82 s VAL 114 Cb -0.18 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 3m82 s VAL 114 CO 0.10 0.01 0.61 -0.32 0.00 0.00 0.00 175.10 175.49 3m82 s MET 115 N 1.79 4.11 0.37 2.72 1.75 -0.79 -1.48 119.30 127.76 3m82 s MET 115 Ca 0.07 0.51 -0.27 0.00 -1.25 0.00 0.00 55.69 54.75 3m82 s MET 115 Cb -0.17 -3.65 -0.10 0.00 2.84 0.00 0.00 34.83 33.76 3m82 s MET 115 CO 0.11 -0.39 1.32 0.34 -0.65 0.00 0.00 175.02 175.75 3m82 s ASP 116 N 1.48 6.49 -0.38 1.11 2.15 -0.83 -4.44 116.67 122.25 3m82 s ASP 116 Ca 0.25 2.71 -0.16 0.00 0.43 0.00 0.00 52.55 55.78 3m82 s ASP 116 Cb -0.16 -2.65 0.01 0.00 -0.30 0.00 0.00 42.92 39.82 3m82 s ASP 116 CO 0.09 -0.73 0.37 -0.89 -0.17 0.00 0.00 175.17 173.84 3m82 s THR 117 N -1.20 5.16 -0.35 1.71 2.01 -1.26 -4.78 115.64 116.93 3m82 s THR 117 Ca 0.53 -0.23 -0.42 0.00 0.31 0.00 0.00 61.69 61.88 3m82 s THR 117 Cb -0.40 -3.91 -0.17 0.00 0.01 0.00 0.00 72.50 68.03 3m82 s THR 117 CO 0.52 -0.24 1.70 -2.11 -0.69 0.00 0.00 174.62 173.80 3m82 n ARG 118 N 5.41 0.79 -0.26 4.92 1.85 -1.26 -2.57 116.66 125.54 3m82 n ARG 118 Ca -0.09 0.29 0.00 0.00 -1.00 0.00 0.00 57.85 57.05 3m82 n ARG 118 Cb 0.48 -1.92 0.00 0.00 -1.05 0.00 0.00 32.46 29.97 3m82 n ARG 118 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3m82 n GLY 119 N 4.14 1.82 0.00 2.89 0.00 0.80 -4.56 105.19 110.28 3m82 n GLY 119 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3m82 n GLY 119 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3m82 n GLN 120 N -2.00 0.00 -2.99 1.61 6.02 -1.06 -4.89 117.38 114.07 3m82 n GLN 120 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.77 3m82 n GLN 120 Cb 0.00 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.28 3m82 n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3m82 n GLY 121 N 5.00 -0.51 0.00 1.08 0.00 -0.36 -4.73 105.19 105.67 3m82 n GLY 121 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3m82 n GLY 121 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3m82 n SER 122 N -2.35 0.05 -0.06 1.61 7.64 -1.18 -1.55 113.62 117.78 3m82 n SER 122 Ca -0.11 -1.02 -0.12 0.00 1.01 0.00 0.00 58.87 58.63 3m82 n SER 122 Cb 0.61 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.77 3m82 n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3m82 n GLY 123 N -0.01 -0.31 0.00 0.23 0.00 -0.07 -4.92 105.19 100.12 3m82 n GLY 123 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3m82 n GLY 123 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3m82 n TRP 124 N -3.91 0.00 -3.71 1.61 4.27 -1.11 -5.04 117.44 109.54 3m82 n TRP 124 Ca -0.22 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.28 3m82 n TRP 124 Cb 0.54 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.38 3m82 n TRP 124 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 3m82 s LEU 125 N -1.27 0.17 0.61 5.67 2.96 -1.26 -5.03 118.68 120.53 3m82 s LEU 125 Ca 0.00 0.80 -0.19 0.00 -0.22 0.00 0.00 54.13 54.52 3m82 s LEU 125 Cb 0.00 1.25 -0.02 0.00 0.50 0.00 0.00 46.19 47.91 3m82 s LEU 125 CO 0.00 -0.17 1.29 -1.59 -1.32 0.00 0.00 176.35 174.56 3m82 s LYS 126 N 1.03 2.78 0.22 1.98 -2.85 -1.26 -2.00 119.74 119.64 3m82 s LYS 126 Ca -0.07 2.05 0.02 0.00 -1.00 0.00 0.00 55.97 56.96 3m82 s LYS 126 Cb -0.07 -1.95 -0.05 0.00 -2.06 0.00 0.00 37.83 33.70 3m82 s LYS 126 CO -0.08 -1.42 0.05 0.20 0.10 0.00 0.00 175.35 174.20 3m82 s GLY 127 N -1.34 1.53 0.00 0.59 0.00 -0.60 -0.81 107.32 106.68 3m82 s GLY 127 Ca 0.79 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 43.76 3m82 s GLY 127 CO 0.40 -1.57 0.34 1.22 0.00 0.00 0.00 173.10 173.49 3m82 n ASP 128 N -0.38 0.56 -4.48 1.64 8.00 -1.26 -4.87 116.55 115.76 3m82 n ASP 128 Ca -0.03 -1.11 -0.35 0.00 0.71 0.00 0.00 54.79 54.02 3m82 n ASP 128 Cb 0.65 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.63 3m82 n ASP 128 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3m82 s THR 129 N -0.11 4.05 0.66 -3.53 2.01 -1.26 -4.92 115.64 112.54 3m82 s THR 129 Ca 0.00 -0.28 -0.09 0.00 0.31 0.00 0.00 61.69 61.62 3m82 s THR 129 Cb 0.00 -2.82 0.01 0.00 0.01 0.00 0.00 72.50 69.70 3m82 s THR 129 CO 0.00 0.44 1.02 -2.16 -0.69 0.00 0.00 174.62 173.23 3m82 s PRO 130 N 0.82 2.92 0.44 4.92 0.04 -1.26 -0.14 135.00 142.74 3m82 s PRO 130 Ca 0.01 0.29 -0.06 0.00 0.04 0.00 0.00 61.00 61.28 3m82 s PRO 130 Cb -0.14 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 3m82 s PRO 130 CO 0.02 -0.88 0.75 0.34 0.04 0.00 0.00 177.00 177.27 3m82 s ASP 131 N -4.33 6.33 -0.31 6.66 2.15 -1.26 -4.05 116.67 121.87 3m82 s ASP 131 Ca 0.56 0.92 -0.02 0.00 0.43 0.00 0.00 52.55 54.44 3m82 s ASP 131 Cb -0.11 -2.24 0.10 0.00 -0.30 0.00 0.00 42.92 40.37 3m82 s ASP 131 CO 0.49 -0.49 0.12 -0.31 -0.17 0.00 0.00 175.17 174.82 3m82 s TYR 132 N -2.58 0.95 0.73 -5.34 1.51 -1.26 -4.94 117.35 106.41 3m82 s TYR 132 Ca 0.47 -1.31 -0.13 0.00 -1.01 0.00 0.00 57.07 55.09 3m82 s TYR 132 Cb -0.10 -1.26 0.04 0.00 -0.11 0.00 0.00 41.96 40.52 3m82 s TYR 132 CO 0.40 -0.85 1.11 -1.25 -1.11 0.00 0.00 175.55 173.86 3m82 s PRO 133 N 1.80 2.40 -1.03 -1.71 0.04 -1.26 -4.93 135.00 130.31 3m82 s PRO 133 Ca 0.10 1.35 -0.22 0.00 0.04 0.00 0.00 61.00 62.28 3m82 s PRO 133 Cb -0.17 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.36 3m82 s PRO 133 CO -0.29 -1.55 1.92 0.39 0.04 0.00 0.00 177.00 177.51 3m82 n GLU 134 N -2.99 1.67 0.00 4.56 -0.58 -1.26 -4.89 120.64 117.16 3m82 n GLU 134 Ca 0.10 -2.27 0.00 0.00 -0.42 0.00 0.00 57.16 54.57 3m82 n GLU 134 Cb 0.52 -3.39 0.00 0.00 -0.57 0.00 0.00 31.44 28.01 3m82 n GLU 134 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3m82 n GLY 135 N 5.23 1.21 3.73 0.62 0.00 -1.26 -4.80 105.19 109.93 3m82 n GLY 135 Ca 0.47 0.34 -0.41 0.00 0.00 0.00 0.00 46.02 46.42 3m82 n GLY 135 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3m82 s PRO 136 N 0.00 4.53 -0.81 1.61 0.04 -1.26 -4.99 135.00 134.11 3m82 s PRO 136 Ca 0.00 1.77 -0.16 0.00 0.04 0.00 0.00 61.00 62.65 3m82 s PRO 136 Cb 0.00 -3.28 0.17 0.00 0.04 0.00 0.00 34.50 31.43 3m82 s PRO 136 CO 0.00 -0.05 0.86 0.08 0.04 0.00 0.00 177.00 177.93 3m82 s VAL 137 N 0.10 5.20 0.81 -0.36 1.01 -1.26 -5.02 120.40 120.87 3m82 s VAL 137 Ca 0.52 -1.93 -0.15 0.00 0.00 0.00 0.00 61.98 60.43 3m82 s VAL 137 Cb -0.30 -4.56 0.00 0.00 0.00 0.00 0.00 36.38 31.52 3m82 s VAL 137 CO 0.34 -1.19 0.62 0.47 0.00 0.00 0.00 175.10 175.35 3m82 n ASP 138 N 5.18 -1.03 -4.24 3.32 8.00 -1.26 -4.89 116.55 121.63 3m82 n ASP 138 Ca 0.12 0.51 -0.54 0.00 0.71 0.00 0.00 54.79 55.60 3m82 n ASP 138 Cb 0.47 -1.27 -0.07 0.00 -0.02 0.00 0.00 41.12 40.23 3m82 n ASP 138 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3m82 n PRO 139 N -1.47 0.00 -3.74 -0.24 -0.02 -1.26 -4.79 135.00 123.48 3m82 n PRO 139 Ca 0.10 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.48 3m82 n PRO 139 Cb 0.51 -1.32 -0.05 0.00 -0.02 0.00 0.00 33.50 32.62 3m82 n PRO 139 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3m82 s GLN 140 N -0.21 1.16 0.26 -0.52 -2.07 -1.26 -4.87 119.66 112.15 3m82 s GLN 140 Ca 0.81 -0.86 -0.25 0.00 -1.82 0.00 0.00 55.36 53.23 3m82 s GLN 140 Cb -1.13 0.46 -0.09 0.00 -1.09 0.00 0.00 33.01 31.15 3m82 s GLN 140 CO 0.54 -0.46 0.87 -0.47 -1.32 0.00 0.00 175.29 174.45 3m82 s TYR 141 N -3.86 3.78 -0.20 9.60 5.04 -1.26 -4.99 117.35 125.47 3m82 s TYR 141 Ca 0.08 1.71 -0.42 0.00 -2.44 0.00 0.00 57.07 55.99 3m82 s TYR 141 Cb 0.02 -2.85 -0.19 0.00 0.35 0.00 0.00 41.96 39.29 3m82 s TYR 141 CO -0.07 0.34 1.37 -2.30 -1.34 0.00 0.00 175.55 173.56 3m82 n PRO 142 N 0.97 0.30 0.00 4.97 -0.02 -1.26 -4.67 135.00 135.29 3m82 n PRO 142 Ca -0.01 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3m82 n PRO 142 Cb 0.49 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 3m82 n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m82 n GLY 143 N 2.84 0.34 0.01 -1.23 0.00 -1.26 -4.89 105.19 100.99 3m82 n GLY 143 Ca 0.24 -2.30 0.07 0.00 0.00 0.00 0.00 46.02 44.03 3m82 n GLY 143 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3m82 n PHE 144 N 0.00 0.00 0.11 1.61 3.72 -1.26 -4.46 117.46 117.18 3m82 n PHE 144 Ca 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.41 3m82 n PHE 144 Cb 0.00 -0.27 0.34 0.00 -0.94 0.00 0.00 39.48 38.62 3m82 n PHE 144 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3m82 h MET 145 N 0.00 0.24 -0.37 -1.08 2.86 -1.90 -3.01 114.93 111.67 3m82 h MET 145 Ca 0.00 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3m82 h MET 145 Cb 0.58 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.21 3m82 h MET 145 CO 0.00 0.44 0.00 0.25 1.06 0.00 0.00 176.91 178.66 3m82 n THR 146 N -4.21 1.03 -2.08 2.22 -2.24 -1.26 -4.85 114.28 102.90 3m82 n THR 146 Ca -0.01 -1.02 -0.40 0.00 -2.27 0.00 0.00 64.05 60.35 3m82 n THR 146 Cb 0.33 0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 69.01 3m82 n THR 146 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3m82 s ARG 147 N -1.04 2.88 0.00 -0.78 3.52 -1.14 -2.87 118.95 119.52 3m82 s ARG 147 Ca 0.25 0.78 0.00 0.00 -0.13 0.00 0.00 55.73 56.63 3m82 s ARG 147 Cb 0.13 -4.31 0.00 0.00 -1.56 0.00 0.00 34.95 29.21 3m82 s ARG 147 CO 0.17 -2.43 0.00 0.41 -0.81 0.00 0.00 175.30 172.64 3m82 n GLY 148 N 5.57 0.41 0.10 8.12 0.00 -1.26 -1.46 105.19 116.67 3m82 n GLY 148 Ca 0.20 -0.86 0.10 0.00 0.00 0.00 0.00 46.02 45.46 3m82 n GLY 148 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3m82 n ILE 149 N -2.99 1.00 1.93 -0.61 3.06 -1.14 -2.89 119.36 117.72 3m82 n ILE 149 Ca 0.00 0.37 0.16 0.00 -2.50 0.00 0.00 62.75 60.77 3m82 n ILE 149 Cb 0.00 -1.29 0.90 0.00 0.54 0.00 0.00 39.64 39.80 3m82 n ILE 149 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3m82 n LEU 150 N -2.05 0.12 -3.64 9.51 4.77 -1.26 -4.59 117.00 119.86 3m82 n LEU 150 Ca 0.01 -0.03 -0.05 0.00 -0.03 0.00 0.00 56.01 55.91 3m82 n LEU 150 Cb 0.16 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 3m82 n LEU 150 CO 0.15 0.02 0.37 -0.62 -1.33 0.00 0.00 177.39 175.98 3m82 s ASP 151 N -2.03 -0.94 0.54 -1.43 -1.08 -1.14 -4.97 116.67 105.62 3m82 s ASP 151 Ca 0.46 1.45 0.23 0.00 -0.52 0.00 0.00 52.55 54.18 3m82 s ASP 151 Cb 0.22 1.54 1.43 0.00 -1.46 0.00 0.00 42.92 44.65 3m82 s ASP 151 CO 0.37 -0.22 2.07 1.55 0.52 0.00 0.00 175.17 179.46 3m82 h PRO 152 N 7.11 0.00 0.00 4.34 0.13 -1.84 -1.74 132.00 140.00 3m82 h PRO 152 Ca -0.27 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.81 3m82 h PRO 152 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3m82 h PRO 152 CO 0.15 0.00 -0.21 0.00 -0.23 0.00 0.00 178.00 177.72 3m82 h ARG 153 N 0.00 0.00 -0.01 0.86 3.08 -1.96 -2.98 114.38 113.36 3m82 h ARG 153 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3m82 h ARG 153 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3m82 h ARG 153 CO -0.00 0.21 -0.36 0.25 -1.07 0.00 0.00 179.97 178.99 3m82 n THR 154 N -3.72 0.00 -2.34 2.04 -2.24 -0.68 -4.96 114.28 102.38 3m82 n THR 154 Ca -0.01 -0.32 -0.41 0.00 -2.27 0.00 0.00 64.05 61.03 3m82 n THR 154 Cb 0.32 1.25 -0.03 0.00 -2.10 0.00 0.00 70.33 69.77 3m82 n THR 154 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3m82 s TYR 155 N -2.14 3.38 0.23 4.78 5.04 -1.03 -4.31 117.35 123.31 3m82 s TYR 155 Ca 0.17 1.35 -0.12 0.00 -2.44 0.00 0.00 57.07 56.03 3m82 s TYR 155 Cb 0.16 -3.48 0.30 0.00 0.35 0.00 0.00 41.96 39.29 3m82 s TYR 155 CO 0.46 -1.40 1.60 -0.92 -1.34 0.00 0.00 175.55 173.96 3m82 h TYR 156 N 5.44 -0.44 0.00 4.97 3.20 -1.54 -1.33 116.97 127.27 3m82 h TYR 156 Ca -0.44 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.50 3m82 h TYR 156 Cb 1.21 0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.79 3m82 h TYR 156 CO 0.63 -0.33 0.00 0.66 -1.64 0.00 0.00 178.16 177.48 3m82 n TYR 157 N -5.49 0.23 -0.22 -3.82 4.01 -1.26 -1.70 117.16 108.91 3m82 n TYR 157 Ca 0.10 0.08 -0.07 0.00 -0.16 0.00 0.00 57.90 57.85 3m82 n TYR 157 Cb 0.38 -0.63 0.03 0.00 -0.31 0.00 0.00 39.34 38.82 3m82 n TYR 157 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3m82 h ARG 158 N 0.00 0.87 -0.19 -0.72 2.43 -1.54 -0.96 114.38 114.27 3m82 h ARG 158 Ca 0.00 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 58.97 3m82 h ARG 158 Cb 0.41 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3m82 h ARG 158 CO 0.00 0.68 -0.21 0.00 -1.51 0.00 0.00 179.97 178.93 3m82 h ARG 159 N 0.83 0.48 -0.34 0.20 3.08 -1.42 -2.56 114.38 114.65 3m82 h ARG 159 Ca 0.21 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3m82 h ARG 159 Cb 0.08 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3m82 h ARG 159 CO -0.03 0.84 0.18 0.28 -1.07 0.00 0.00 179.97 180.17 3m82 h VAL 160 N 0.13 1.14 -0.39 2.04 2.07 -1.47 -1.03 116.25 118.75 3m82 h VAL 160 Ca 0.03 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.07 3m82 h VAL 160 Cb 0.76 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3m82 h VAL 160 CO 0.05 0.15 -0.13 -0.26 0.02 0.00 0.00 177.57 177.40 3m82 h PHE 161 N 0.43 0.77 -0.09 1.57 0.04 -1.23 -1.58 116.94 116.84 3m82 h PHE 161 Ca 0.12 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 3m82 h PHE 161 Cb 0.07 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.02 3m82 h PHE 161 CO -0.02 0.79 0.03 1.15 -0.60 0.00 0.00 178.31 179.66 3m82 h THR 162 N 0.64 1.16 -0.78 -1.55 2.02 -1.32 -1.92 112.91 111.15 3m82 h THR 162 Ca 0.11 -0.48 0.18 0.00 0.77 0.00 0.00 66.41 66.99 3m82 h THR 162 Cb 0.58 1.31 -0.13 0.00 -1.74 0.00 0.00 68.15 68.17 3m82 h THR 162 CO 0.04 0.14 0.10 0.44 0.37 0.00 0.00 175.52 176.61 3m82 h ASP 163 N -0.03 -0.18 -0.45 4.18 5.19 -0.97 -1.91 116.42 122.26 3m82 h ASP 163 Ca 0.03 0.18 -0.11 0.00 -0.62 0.00 0.00 57.03 56.51 3m82 h ASP 163 Cb 0.19 0.29 -0.02 0.00 0.18 0.00 0.00 39.33 39.97 3m82 h ASP 163 CO -0.00 -0.14 -0.14 0.00 -3.12 0.00 0.00 179.24 175.84 3m82 h ALA 164 N 1.70 0.83 -0.47 3.45 0.00 -0.93 0.75 119.26 124.60 3m82 h ALA 164 Ca 0.44 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3m82 h ALA 164 Cb 0.81 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3m82 h ALA 164 CO -0.62 0.65 0.06 0.28 0.00 0.00 0.00 179.25 179.61 3m82 h VAL 165 N 0.82 1.25 -0.23 0.00 2.07 -1.08 -3.06 116.25 116.02 3m82 h VAL 165 Ca 0.13 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.63 3m82 h VAL 165 Cb 0.68 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3m82 h VAL 165 CO 0.05 0.34 -0.12 0.03 0.02 0.00 0.00 177.57 177.88 3m82 h ARG 166 N 0.66 0.38 -0.37 1.57 2.47 -0.96 -2.87 114.38 115.26 3m82 h ARG 166 Ca 0.14 -0.10 -0.03 0.00 -1.26 0.00 0.00 59.98 58.74 3m82 h ARG 166 Cb 0.42 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.67 3m82 h ARG 166 CO 0.01 0.51 0.11 0.00 0.56 0.00 0.00 179.97 181.16 3m82 h ALA 167 N 1.52 1.50 -0.46 0.04 0.00 -0.76 -1.02 119.26 120.09 3m82 h ALA 167 Ca 0.07 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3m82 h ALA 167 Cb 0.43 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3m82 h ALA 167 CO 0.02 0.38 -0.06 0.28 0.00 0.00 0.00 179.25 179.87 3m82 h VAL 168 N 0.53 1.25 -0.52 0.00 2.07 -1.48 0.14 116.25 118.25 3m82 h VAL 168 Ca 0.13 -1.10 -0.11 0.00 0.82 0.00 0.00 66.70 66.44 3m82 h VAL 168 Cb 0.18 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3m82 h VAL 168 CO -0.01 0.38 -0.09 -0.33 0.02 0.00 0.00 177.57 177.54 3m82 h GLU 169 N 0.73 0.97 -0.34 1.57 4.39 -1.37 -1.33 114.58 119.20 3m82 h GLU 169 Ca 0.13 -0.36 -0.03 0.00 0.34 0.00 0.00 59.36 59.45 3m82 h GLU 169 Cb 0.53 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 3m82 h GLU 169 CO 0.03 1.03 0.11 0.00 -1.16 0.00 0.00 179.01 179.01 3m82 h ALA 170 N 0.91 0.44 -0.24 3.43 0.00 -1.05 -2.33 119.26 120.43 3m82 h ALA 170 Ca 0.13 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3m82 h ALA 170 Cb 0.65 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3m82 h ALA 170 CO 0.04 0.08 0.02 0.00 0.00 0.00 0.00 179.25 179.39 3m82 h ALA 171 N 0.94 0.22 -0.00 0.00 0.00 -0.89 -2.69 119.26 116.84 3m82 h ALA 171 Ca 0.11 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3m82 h ALA 171 Cb 0.25 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3m82 h ALA 171 CO -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 179.25 178.84 3m82 h ALA 172 N 1.19 1.40 0.00 0.00 0.00 -1.12 -1.97 119.26 118.77 3m82 h ALA 172 Ca 0.11 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3m82 h ALA 172 Cb 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3m82 h ALA 172 CO -0.17 -0.00 -0.06 0.66 0.00 0.00 0.00 179.25 179.68 3m82 h SER 173 N 0.00 0.00 -3.11 0.00 4.64 -1.06 -3.45 113.55 110.56 3m82 h SER 173 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3m82 h SER 173 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.11 3m82 h SER 173 CO -0.00 0.06 0.64 0.12 -0.87 0.00 0.00 176.83 176.78 3m82 s PHE 174 N -3.58 3.34 0.47 4.77 5.36 -0.74 -4.91 117.98 122.68 3m82 s PHE 174 Ca 0.02 1.13 0.15 0.00 -0.96 0.00 0.00 56.93 57.27 3m82 s PHE 174 Cb 0.09 -3.55 1.09 0.00 -0.34 0.00 0.00 43.02 40.30 3m82 s PHE 174 CO 0.59 -1.84 2.05 -1.35 -1.46 0.00 0.00 175.22 173.21 3m82 h PRO 175 N 6.71 0.02 -0.12 10.12 0.11 -1.89 -2.52 132.00 144.43 3m82 h PRO 175 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3m82 h PRO 175 Cb 1.21 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3m82 h PRO 175 CO 0.83 0.13 0.00 1.04 -0.21 0.00 0.00 178.00 179.79 3m82 n GLN 176 N -4.40 1.77 -2.90 1.05 6.02 -1.26 -4.85 117.38 112.80 3m82 n GLN 176 Ca -0.03 -1.14 -0.41 0.00 -0.01 0.00 0.00 57.00 55.41 3m82 n GLN 176 Cb 0.19 -1.43 -0.04 0.00 1.02 0.00 0.00 30.24 29.97 3m82 n GLN 176 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3m82 s VAL 177 N -1.86 4.91 -0.45 5.09 1.01 -0.95 -0.41 120.40 127.74 3m82 s VAL 177 Ca 0.34 1.62 -0.29 0.00 0.00 0.00 0.00 61.98 63.66 3m82 s VAL 177 Cb 0.19 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.46 3m82 s VAL 177 CO 0.29 0.07 1.19 -0.62 0.00 0.00 0.00 175.10 176.03 3m82 s ASP 178 N 1.10 6.61 0.25 3.32 -1.08 0.57 -4.80 116.67 122.63 3m82 s ASP 178 Ca 0.39 0.60 0.24 0.00 -0.52 0.00 0.00 52.55 53.25 3m82 s ASP 178 Cb -0.17 -2.55 0.97 0.00 -1.46 0.00 0.00 42.92 39.71 3m82 s ASP 178 CO 0.14 -1.25 1.71 0.00 0.52 0.00 0.00 175.17 176.29 3m82 n GLN 179 N 7.79 0.19 0.00 4.34 6.02 -1.26 -1.56 117.38 132.90 3m82 n GLN 179 Ca 0.13 0.41 0.14 0.00 -0.01 0.00 0.00 57.00 57.67 3m82 n GLN 179 Cb 0.49 -1.86 0.66 0.00 1.02 0.00 0.00 30.24 30.54 3m82 n GLN 179 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3m82 n GLU 180 N -2.23 0.26 -2.88 -1.09 -0.58 -1.26 -4.13 120.64 108.73 3m82 n GLU 180 Ca 0.02 -0.02 -0.17 0.00 -0.42 0.00 0.00 57.16 56.57 3m82 n GLU 180 Cb 0.24 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.60 3m82 n GLU 180 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3m82 n ARG 181 N -1.35 1.62 -3.57 3.49 1.74 -0.60 -4.92 116.66 113.06 3m82 n ARG 181 Ca 0.11 -3.66 -0.39 0.00 -0.77 0.00 0.00 57.85 53.14 3m82 n ARG 181 Cb 0.29 -1.67 -0.11 0.00 -1.02 0.00 0.00 32.46 29.95 3m82 n ARG 181 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3m82 s ILE 182 N -3.32 5.26 -0.10 0.55 1.01 -1.25 -0.98 121.20 122.37 3m82 s ILE 182 Ca 0.37 -0.02 -0.03 0.00 0.00 0.00 0.00 60.65 60.97 3m82 s ILE 182 Cb 0.39 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 3m82 s ILE 182 CO -0.06 0.13 0.02 -0.69 0.00 0.00 0.00 174.94 174.35 3m82 s VAL 183 N 1.74 4.49 -0.14 2.92 1.01 0.69 -0.63 120.40 130.47 3m82 s VAL 183 Ca 0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 3m82 s VAL 183 Cb -0.17 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 3m82 s VAL 183 CO 0.11 0.59 0.05 0.27 0.00 0.00 0.00 175.10 176.11 3m82 s ILE 184 N -0.69 4.70 -0.06 2.22 -4.36 -0.04 -0.21 121.20 122.76 3m82 s ILE 184 Ca 0.11 -0.08 -0.05 0.00 -0.26 0.00 0.00 60.65 60.37 3m82 s ILE 184 Cb -0.12 -3.06 0.02 0.00 1.25 0.00 0.00 42.46 40.55 3m82 s ILE 184 CO 0.02 0.53 0.16 0.00 0.24 0.00 0.00 174.94 175.89 3m82 s ALA 185 N -0.21 -0.36 -0.22 2.27 0.00 0.04 -0.57 121.76 122.71 3m82 s ALA 185 Ca 0.07 0.52 -0.32 0.00 0.00 0.00 0.00 51.96 52.24 3m82 s ALA 185 Cb -0.12 -0.32 0.16 0.00 0.00 0.00 0.00 23.12 22.83 3m82 s ALA 185 CO 0.02 -0.10 1.21 0.20 0.00 0.00 0.00 175.76 177.09 3m82 s GLY 186 N 0.40 -0.15 -0.61 0.00 0.00 -0.87 -0.96 107.32 105.14 3m82 s GLY 186 Ca -0.03 2.15 0.04 0.00 0.00 0.00 0.00 44.72 46.89 3m82 s GLY 186 CO -0.02 0.86 1.08 0.61 0.00 0.00 0.00 173.10 175.63 3m82 n GLY 187 N 0.33 5.72 0.00 0.20 0.00 -1.26 -1.77 105.19 108.41 3m82 n GLY 187 Ca -0.02 -2.76 0.00 0.00 0.00 0.00 0.00 46.02 43.23 3m82 n GLY 187 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3m82 n GLN 189 N -0.27 0.00 -0.07 1.61 7.27 -1.26 -3.22 117.38 121.44 3m82 n GLN 189 Ca 0.34 0.00 0.08 0.00 0.07 0.00 0.00 57.00 57.50 3m82 n GLN 189 Cb 0.41 0.00 0.45 0.00 2.41 0.00 0.00 30.24 33.52 3m82 n GLN 189 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 3m82 h GLY 190 N 0.00 0.64 1.11 1.69 0.00 -1.80 -0.78 103.07 103.93 3m82 h GLY 190 Ca 0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 47.33 47.00 3m82 h GLY 190 CO 0.00 0.15 -0.20 -1.33 0.00 0.00 0.00 176.54 175.16 3m82 h GLY 191 N 0.51 1.10 1.29 4.60 0.00 -1.51 -0.54 103.07 108.52 3m82 h GLY 191 Ca 0.24 -0.96 -0.15 0.00 0.00 0.00 0.00 47.33 46.46 3m82 h GLY 191 CO -0.07 0.88 -0.39 -1.33 0.00 0.00 0.00 176.54 175.63 3m82 h GLY 192 N 0.87 0.85 0.86 4.60 0.00 -1.46 -1.14 103.07 107.65 3m82 h GLY 192 Ca 0.12 -0.86 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 3m82 h GLY 192 CO 0.06 0.78 0.05 -2.22 0.00 0.00 0.00 176.54 175.21 3m82 h ILE 193 N 0.64 1.16 -0.42 2.60 2.04 -1.09 -2.65 117.51 119.78 3m82 h ILE 193 Ca 0.05 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 3m82 h ILE 193 Cb 0.95 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 3m82 h ILE 193 CO 0.09 0.15 0.08 0.00 0.00 0.00 0.00 178.15 178.47 3m82 h ALA 194 N 0.88 1.36 -0.51 1.87 0.00 -1.00 -1.92 119.26 119.94 3m82 h ALA 194 Ca 0.05 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3m82 h ALA 194 Cb 0.19 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3m82 h ALA 194 CO -0.00 0.45 0.10 1.25 0.00 0.00 0.00 179.25 181.05 3m82 h LEU 195 N 0.62 0.79 -0.40 0.00 5.85 -1.18 0.19 115.31 121.18 3m82 h LEU 195 Ca 0.14 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.63 3m82 h LEU 195 Cb 0.26 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3m82 h LEU 195 CO -0.00 0.83 0.24 0.00 -0.34 0.00 0.00 178.44 179.17 3m82 h ALA 196 N 0.99 0.51 -0.38 1.25 0.00 -1.10 -3.04 119.26 117.49 3m82 h ALA 196 Ca 0.16 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3m82 h ALA 196 Cb 0.37 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3m82 h ALA 196 CO 0.01 -0.09 0.01 0.28 0.00 0.00 0.00 179.25 179.46 3m82 h VAL 197 N 0.48 1.20 -0.49 0.00 2.07 -0.87 -1.75 116.25 116.91 3m82 h VAL 197 Ca 0.16 -0.81 0.11 0.00 0.82 0.00 0.00 66.70 66.98 3m82 h VAL 197 Cb 0.00 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3m82 h VAL 197 CO -0.07 0.28 0.34 0.77 0.02 0.00 0.00 177.57 178.91 3m82 h SER 198 N 0.56 0.17 0.37 0.57 4.64 -0.51 0.04 113.55 119.39 3m82 h SER 198 Ca 0.12 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.13 3m82 h SER 198 Cb 0.34 -0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.34 3m82 h SER 198 CO 0.01 0.10 -1.86 0.00 -0.87 0.00 0.00 176.83 174.21 3m82 n ALA 199 N -2.57 1.45 -0.03 5.18 0.00 -0.85 -4.43 120.51 119.26 3m82 n ALA 199 Ca 0.08 -0.86 0.02 0.00 0.00 0.00 0.00 53.44 52.68 3m82 n ALA 199 Cb 0.43 -0.71 -0.14 0.00 0.00 0.00 0.00 19.45 19.02 3m82 n ALA 199 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3m82 n LEU 200 N -3.03 0.19 -4.85 0.00 4.77 -0.72 -4.89 117.00 108.47 3m82 n LEU 200 Ca -0.21 0.08 -0.34 0.00 -0.03 0.00 0.00 56.01 55.51 3m82 n LEU 200 Cb 1.07 0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 42.28 3m82 n LEU 200 CO 0.44 0.19 0.26 -0.55 -1.33 0.00 0.00 177.39 176.40 3m82 s SER 201 N -5.11 6.78 -0.00 -1.43 0.15 -0.03 -4.99 113.70 109.08 3m82 s SER 201 Ca -0.07 1.07 0.20 0.00 0.70 0.00 0.00 55.95 57.85 3m82 s SER 201 Cb 0.10 -2.29 -0.22 0.00 -1.71 0.00 0.00 66.02 61.90 3m82 s SER 201 CO 0.86 0.02 0.87 0.29 1.20 0.00 0.00 173.24 176.47 3m82 n LYS 202 N 0.40 0.24 0.02 5.44 4.76 -1.26 -4.58 118.16 123.19 3m82 n LYS 202 Ca -0.03 -0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.49 3m82 n LYS 202 Cb 0.52 -1.47 -0.11 0.00 -1.84 0.00 0.00 35.03 32.14 3m82 n LYS 202 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3m82 n LYS 203 N -1.49 0.64 -2.30 1.97 4.76 -1.26 -4.96 118.16 115.52 3m82 n LYS 203 Ca 0.04 -0.02 -0.41 0.00 -2.87 0.00 0.00 58.31 55.05 3m82 n LYS 203 Cb 0.32 -1.65 -0.03 0.00 -1.84 0.00 0.00 35.03 31.83 3m82 n LYS 203 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3m82 s ALA 204 N -3.27 3.46 -0.03 7.82 0.00 -1.26 -4.73 121.76 123.75 3m82 s ALA 204 Ca -0.05 1.05 0.10 0.00 0.00 0.00 0.00 51.96 53.06 3m82 s ALA 204 Cb 0.11 -3.42 -0.16 0.00 0.00 0.00 0.00 23.12 19.65 3m82 s ALA 204 CO 0.85 -0.41 0.20 1.63 0.00 0.00 0.00 175.76 178.03 3m82 n LYS 205 N 1.70 0.60 -3.66 0.00 4.76 0.19 -4.97 118.16 116.79 3m82 n LYS 205 Ca 0.02 -0.08 -0.14 0.00 -2.87 0.00 0.00 58.31 55.24 3m82 n LYS 205 Cb 0.43 -1.25 -0.07 0.00 -1.84 0.00 0.00 35.03 32.31 3m82 n LYS 205 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3m82 s ALA 206 N -2.66 -1.08 -0.11 7.82 0.00 -1.20 -4.25 121.76 120.27 3m82 s ALA 206 Ca -0.04 0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.40 3m82 s ALA 206 Cb 0.06 0.27 -0.00 0.00 0.00 0.00 0.00 23.12 23.45 3m82 s ALA 206 CO 0.43 -0.42 -0.21 -1.17 0.00 0.00 0.00 175.76 174.39 3m82 s LEU 207 N -1.80 2.25 -0.28 0.00 2.96 -0.14 -0.86 118.68 120.81 3m82 s LEU 207 Ca -0.07 -0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 53.27 3m82 s LEU 207 Cb -0.01 -1.46 0.01 0.00 0.50 0.00 0.00 46.19 45.22 3m82 s LEU 207 CO 0.00 0.15 0.05 -0.76 -1.32 0.00 0.00 176.35 174.47 3m82 s LEU 208 N 0.40 3.65 -0.37 -0.68 1.43 0.26 -1.22 118.68 122.15 3m82 s LEU 208 Ca -0.16 -0.66 0.01 0.00 -1.03 0.00 0.00 54.13 52.29 3m82 s LEU 208 Cb -0.17 -1.85 0.12 0.00 0.03 0.00 0.00 46.19 44.32 3m82 s LEU 208 CO 0.07 -0.16 0.16 0.00 0.23 0.00 0.00 176.35 176.65 3m82 s ASP 210 N 1.03 6.28 -1.19 0.00 1.01 -0.73 -1.85 116.67 121.22 3m82 s ASP 210 Ca 0.13 0.35 -0.10 0.00 0.71 0.00 0.00 52.55 53.65 3m82 s ASP 210 Cb -0.21 -2.07 0.01 0.00 1.01 0.00 0.00 42.92 41.67 3m82 s ASP 210 CO -0.12 0.31 0.19 1.33 0.21 0.00 0.00 175.17 177.08 3m82 n VAL 211 N 2.67 -1.26 -2.04 -1.27 0.24 -0.36 -4.26 118.33 112.05 3m82 n VAL 211 Ca -0.18 -0.44 -0.41 0.00 -2.04 0.00 0.00 64.34 61.27 3m82 n VAL 211 Cb 0.54 -1.15 -0.02 0.00 -1.47 0.00 0.00 33.84 31.73 3m82 n VAL 211 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3m82 s PRO 212 N -6.77 4.29 0.34 7.34 0.04 -1.26 -4.76 135.00 134.21 3m82 s PRO 212 Ca 0.14 2.28 0.07 0.00 0.04 0.00 0.00 61.00 63.52 3m82 s PRO 212 Cb -0.08 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.35 3m82 s PRO 212 CO 0.82 -0.36 0.45 0.12 0.04 0.00 0.00 177.00 178.07 3m82 s PHE 213 N -0.33 3.06 -0.52 0.56 5.36 -1.26 -4.64 117.98 120.20 3m82 s PHE 213 Ca 0.56 -0.25 -0.02 0.00 -0.96 0.00 0.00 56.93 56.27 3m82 s PHE 213 Cb -0.41 -2.00 0.00 0.00 -0.34 0.00 0.00 43.02 40.27 3m82 s PHE 213 CO 0.46 -0.01 0.24 1.28 -1.46 0.00 0.00 175.22 175.73 3m82 n LEU 214 N -1.62 -2.01 -3.97 6.12 4.77 -1.26 -3.42 117.00 115.62 3m82 n LEU 214 Ca 0.00 -0.11 -0.23 0.00 -0.03 0.00 0.00 56.01 55.64 3m82 n LEU 214 Cb 0.58 -1.35 -0.17 0.00 -2.33 0.00 0.00 43.42 40.16 3m82 n LEU 214 CO 0.42 0.10 -0.44 0.00 -1.33 0.00 0.00 177.39 176.13 3m82 n HIS 216 N 3.97 -2.03 -0.36 0.00 -0.00 -1.26 -4.67 115.22 110.87 3m82 n HIS 216 Ca -0.23 0.72 0.10 0.00 -0.00 0.00 0.00 57.72 58.32 3m82 n HIS 216 Cb 0.51 -4.04 0.28 0.00 -0.00 0.00 0.00 29.99 26.75 3m82 n HIS 216 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.34 177.08 3m82 h PHE 217 N -1.71 1.11 -0.52 1.57 0.04 -1.95 -1.16 116.94 114.32 3m82 h PHE 217 Ca -0.63 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.07 3m82 h PHE 217 Cb 1.35 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 39.14 3m82 h PHE 217 CO 0.39 0.34 -0.10 -0.09 -0.60 0.00 0.00 178.31 178.24 3m82 h ARG 218 N 0.87 1.00 -0.14 1.51 9.65 -1.99 -2.25 114.38 123.04 3m82 h ARG 218 Ca 0.54 -0.37 -0.10 0.00 -1.10 0.00 0.00 59.98 58.95 3m82 h ARG 218 Cb 0.71 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.23 3m82 h ARG 218 CO -0.33 1.05 -0.29 -0.09 2.80 0.00 0.00 179.97 183.11 3m82 h ARG 219 N 0.86 0.44 -0.66 0.20 9.65 -1.79 -3.21 114.38 119.88 3m82 h ARG 219 Ca 0.14 -0.29 0.14 0.00 -1.10 0.00 0.00 59.98 58.86 3m82 h ARG 219 Cb 0.67 0.04 -0.11 0.00 -1.39 0.00 0.00 29.97 29.18 3m82 h ARG 219 CO 0.05 0.90 0.03 0.00 2.80 0.00 0.00 179.97 183.74 3m82 h ALA 220 N 0.54 0.68 0.00 2.80 0.00 -1.13 -1.80 119.26 120.35 3m82 h ALA 220 Ca 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3m82 h ALA 220 Cb 0.89 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3m82 h ALA 220 CO 0.06 -0.39 -0.10 0.28 0.00 0.00 0.00 179.25 179.11 3m82 h VAL 221 N 0.14 0.22 -0.02 0.00 2.07 -1.49 -2.33 116.25 114.84 3m82 h VAL 221 Ca 0.35 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3m82 h VAL 221 Cb 0.58 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 3m82 h VAL 221 CO -0.55 0.09 -0.35 0.00 0.02 0.00 0.00 177.57 176.79 3m82 n GLN 222 N -3.19 1.51 -0.12 1.57 6.02 -0.86 -4.51 117.38 117.81 3m82 n GLN 222 Ca 0.01 -1.22 -0.20 0.00 -0.01 0.00 0.00 57.00 55.58 3m82 n GLN 222 Cb 0.41 -1.46 -0.10 0.00 1.02 0.00 0.00 30.24 30.12 3m82 n GLN 222 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3m82 n LEU 223 N 0.32 2.41 -4.34 1.08 0.00 -0.73 -5.05 117.00 110.69 3m82 n LEU 223 Ca 0.10 0.07 -0.25 0.00 0.00 0.00 0.00 56.01 55.93 3m82 n LEU 223 Cb 0.49 -0.76 -0.12 0.00 0.00 0.00 0.00 43.42 43.03 3m82 n LEU 223 CO 0.24 0.71 -0.52 0.68 0.00 0.00 0.00 177.39 178.51 3m82 s VAL 224 N -2.45 1.94 -0.47 1.96 -7.23 -0.91 -5.03 120.40 108.21 3m82 s VAL 224 Ca -0.32 -1.74 0.13 0.00 -1.81 0.00 0.00 61.98 58.24 3m82 s VAL 224 Cb 0.10 -1.79 0.40 0.00 0.56 0.00 0.00 36.38 35.65 3m82 s VAL 224 CO 0.48 -0.10 1.32 -0.90 -0.31 0.00 0.00 175.10 175.60 3m82 n ASP 225 N 0.76 3.32 -4.82 4.85 5.75 -1.26 -4.68 116.55 120.47 3m82 n ASP 225 Ca -0.17 -2.55 -0.33 0.00 -0.01 0.00 0.00 54.79 51.73 3m82 n ASP 225 Cb 0.55 -0.38 -0.01 0.00 -1.03 0.00 0.00 41.12 40.24 3m82 n ASP 225 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3m82 s THR 226 N -1.99 4.14 0.43 2.12 -4.23 -1.26 -4.68 115.64 110.17 3m82 s THR 226 Ca 0.32 1.05 -0.21 0.00 -1.18 0.00 0.00 61.69 61.67 3m82 s THR 226 Cb 0.23 -3.54 -0.11 0.00 1.34 0.00 0.00 72.50 70.42 3m82 s THR 226 CO 0.11 -0.57 0.95 -1.00 -0.54 0.00 0.00 174.62 173.58 3m82 s HIS 227 N -2.49 3.31 -1.18 3.99 3.76 -1.26 -0.97 115.29 120.45 3m82 s HIS 227 Ca 0.62 1.61 0.28 0.00 -0.15 0.00 0.00 55.06 57.42 3m82 s HIS 227 Cb -0.13 -2.86 0.99 0.00 1.11 0.00 0.00 32.58 31.70 3m82 s HIS 227 CO 0.33 -0.11 1.74 -0.35 -0.85 0.00 0.00 174.74 175.49 3m82 n PRO 228 N -0.61 0.19 -0.12 8.40 -0.05 -1.26 -4.89 135.00 136.66 3m82 n PRO 228 Ca 0.07 -0.07 0.12 0.00 -0.05 0.00 0.00 63.50 63.57 3m82 n PRO 228 Cb 0.54 -1.50 0.47 0.00 -0.05 0.00 0.00 33.50 32.96 3m82 n PRO 228 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 175.50 177.33 3m82 h TYR 229 N 0.16 0.51 -0.01 0.54 0.05 -1.87 -2.08 116.97 114.28 3m82 h TYR 229 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3m82 h TYR 229 Cb 0.46 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 38.03 3m82 h TYR 229 CO 0.00 0.24 0.06 0.00 -1.05 0.00 0.00 178.16 177.41 3m82 h ALA 230 N 1.67 1.15 -0.97 3.88 0.00 -1.33 -1.22 119.26 122.45 3m82 h ALA 230 Ca 0.31 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.28 3m82 h ALA 230 Cb 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 3m82 h ALA 230 CO -0.09 -0.07 0.62 0.93 0.00 0.00 0.00 179.25 180.64 3m82 h GLU 231 N 0.00 1.08 -0.17 0.00 5.08 -1.66 -0.50 114.58 118.41 3m82 h GLU 231 Ca 0.00 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 3m82 h GLU 231 Cb 0.13 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3m82 h GLU 231 CO -0.00 0.71 -0.16 0.82 -1.00 0.00 0.00 179.01 179.39 3m82 h ILE 232 N 1.11 1.33 -0.41 3.13 2.04 -1.41 -2.56 117.51 120.75 3m82 h ILE 232 Ca 0.42 -1.30 0.02 0.00 1.00 0.00 0.00 64.86 65.00 3m82 h ILE 232 Cb 0.20 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 3m82 h ILE 232 CO -0.18 0.39 0.25 0.74 0.00 0.00 0.00 178.15 179.34 3m82 h THR 233 N 0.06 1.05 -0.74 -0.27 2.02 -1.50 -0.84 112.91 112.68 3m82 h THR 233 Ca 0.03 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 3m82 h THR 233 Cb 0.69 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 3m82 h THR 233 CO 0.04 0.09 0.24 0.78 0.37 0.00 0.00 175.52 177.04 3m82 h ASN 234 N 0.50 1.08 -0.48 4.18 2.35 -1.09 0.79 115.58 122.90 3m82 h ASN 234 Ca 0.16 -0.21 0.04 0.00 -0.55 0.00 0.00 56.30 55.75 3m82 h ASN 234 Cb 0.00 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.05 3m82 h ASN 234 CO -0.07 1.00 0.24 0.15 -1.65 0.00 0.00 177.43 177.10 3m82 h PHE 235 N 1.10 0.44 -0.41 1.19 3.04 -1.21 -3.02 116.94 118.08 3m82 h PHE 235 Ca 0.24 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.14 3m82 h PHE 235 Cb 0.30 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.66 3m82 h PHE 235 CO 0.02 0.22 -0.02 -0.07 -2.02 0.00 0.00 178.31 176.45 3m82 h LEU 236 N 0.48 0.63 -1.75 0.59 3.38 -0.58 0.99 115.31 119.05 3m82 h LEU 236 Ca 0.21 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3m82 h LEU 236 Cb 0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3m82 h LEU 236 CO -0.15 0.71 0.27 0.11 0.09 0.00 0.00 178.44 179.48 3m82 h LYS 237 N 0.62 0.31 0.00 1.13 1.57 -0.74 -3.23 116.57 116.23 3m82 h LYS 237 Ca 0.13 -0.02 -0.26 0.00 -1.87 0.00 0.00 60.65 58.63 3m82 h LYS 237 Cb 0.42 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 3m82 h LYS 237 CO 0.02 0.20 -1.48 2.41 -0.57 0.00 0.00 179.45 180.03 3m82 n THR 238 N -4.48 1.52 -2.46 -0.16 -1.04 -1.04 -4.65 114.28 101.97 3m82 n THR 238 Ca 0.05 -0.08 -0.43 0.00 -2.04 0.00 0.00 64.05 61.55 3m82 n THR 238 Cb 0.25 -2.05 0.00 0.00 -1.82 0.00 0.00 70.33 66.71 3m82 n THR 238 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3m82 n HIS 239 N -4.41 3.01 0.39 -1.42 8.25 0.32 -4.80 115.22 116.56 3m82 n HIS 239 Ca -0.34 -2.81 0.13 0.00 -0.26 0.00 0.00 57.72 54.44 3m82 n HIS 239 Cb 0.68 -1.88 0.52 0.00 1.12 0.00 0.00 29.99 30.43 3m82 n HIS 239 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m82 h ARG 240 N 5.81 0.00 -0.01 -0.41 3.08 -1.82 -1.91 114.38 119.11 3m82 h ARG 240 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 3m82 h ARG 240 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3m82 h ARG 240 CO 1.56 0.00 -0.11 -0.40 -1.07 0.00 0.00 179.97 179.95 3m82 n ASP 241 N -2.44 0.79 -0.52 7.04 5.75 -1.26 -4.44 116.55 121.47 3m82 n ASP 241 Ca 0.02 -0.90 0.06 0.00 -0.01 0.00 0.00 54.79 53.96 3m82 n ASP 241 Cb 0.27 0.00 0.15 0.00 -1.03 0.00 0.00 41.12 40.51 3m82 n ASP 241 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3m82 n LYS 242 N -0.63 2.73 0.02 0.11 4.76 -0.72 -4.74 118.16 119.68 3m82 n LYS 242 Ca 0.16 -2.23 -0.11 0.00 -2.87 0.00 0.00 58.31 53.26 3m82 n LYS 242 Cb 0.30 -1.40 -0.06 0.00 -1.84 0.00 0.00 35.03 32.02 3m82 n LYS 242 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3m82 h GLU 243 N 1.33 0.07 -0.51 1.97 4.81 -1.78 -1.14 114.58 119.34 3m82 h GLU 243 Ca 0.00 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3m82 h GLU 243 Cb 0.92 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 3m82 h GLU 243 CO 0.06 0.05 0.25 1.49 -0.73 0.00 0.00 179.01 180.14 3m82 h GLU 244 N 0.07 0.72 -0.70 1.92 4.81 -1.95 -2.42 114.58 117.03 3m82 h GLU 244 Ca 0.02 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 3m82 h GLU 244 Cb -0.00 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 3m82 h GLU 244 CO -0.00 0.59 0.34 0.82 -0.73 0.00 0.00 179.01 180.03 3m82 h ILE 245 N 0.67 1.23 -0.36 2.32 2.04 -1.87 -1.67 117.51 119.87 3m82 h ILE 245 Ca 0.18 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 3m82 h ILE 245 Cb 0.10 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 3m82 h ILE 245 CO -0.02 0.27 0.17 0.58 0.00 0.00 0.00 178.15 179.14 3m82 h VAL 246 N 0.97 1.17 0.00 1.67 2.07 -0.96 -1.83 116.25 119.33 3m82 h VAL 246 Ca 0.24 -0.48 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 3m82 h VAL 246 Cb 0.11 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3m82 h VAL 246 CO -0.03 0.18 -0.55 -0.26 0.02 0.00 0.00 177.57 176.93 3m82 h PHE 247 N 0.44 0.00 0.15 1.57 0.04 -1.40 -1.18 116.94 116.57 3m82 h PHE 247 Ca 0.12 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.89 3m82 h PHE 247 Cb 0.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.28 3m82 h PHE 247 CO -0.01 0.55 -0.07 -0.09 -0.60 0.00 0.00 178.31 178.08 3m82 h ARG 248 N 0.00 -0.19 -0.33 1.51 2.43 -1.15 -2.03 114.38 114.62 3m82 h ARG 248 Ca -0.01 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 3m82 h ARG 248 Cb 1.18 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.72 3m82 h ARG 248 CO 0.07 -0.00 0.06 1.15 -1.51 0.00 0.00 179.97 179.74 3m82 h THR 249 N -0.35 0.83 0.00 0.20 2.02 -1.23 -2.76 112.91 111.62 3m82 h THR 249 Ca -0.02 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 3m82 h THR 249 Cb 0.28 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3m82 h THR 249 CO 0.03 0.03 -0.11 -0.07 0.37 0.00 0.00 175.52 175.77 3m82 h LEU 250 N 0.17 0.00 -1.99 2.58 3.38 -1.17 -2.66 115.31 115.63 3m82 h LEU 250 Ca 0.16 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.16 3m82 h LEU 250 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3m82 h LEU 250 CO -0.21 0.11 0.09 0.77 0.09 0.00 0.00 178.44 179.30 3m82 h SER 251 N 0.00 0.01 0.64 -0.43 4.64 -1.05 -1.44 113.55 115.91 3m82 h SER 251 Ca -0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m82 h SER 251 Cb 0.23 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3m82 h SER 251 CO 0.01 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.76 3m82 n TYR 252 N -4.50 0.00 -0.35 4.77 4.02 -1.00 -3.53 117.16 116.56 3m82 n TYR 252 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3m82 n TYR 252 Cb 0.21 -0.47 0.00 0.00 -0.02 0.00 0.00 39.34 39.06 3m82 n TYR 252 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3m82 n PHE 253 N -1.47 0.00 -2.81 -0.72 3.72 -0.58 -5.04 117.46 110.56 3m82 n PHE 253 Ca 0.06 -0.26 -0.42 0.00 -0.05 0.00 0.00 57.45 56.78 3m82 n PHE 253 Cb 0.22 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.70 3m82 n PHE 253 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3m82 s ASP 254 N -0.52 7.07 0.61 4.37 -1.08 -0.97 -4.86 116.67 121.29 3m82 s ASP 254 Ca 0.00 1.31 0.35 0.00 -0.52 0.00 0.00 52.55 53.70 3m82 s ASP 254 Cb 0.00 -2.49 1.99 0.00 -1.46 0.00 0.00 42.92 40.96 3m82 s ASP 254 CO 0.00 -0.42 2.26 1.23 0.52 0.00 0.00 175.17 178.76 3m82 h GLY 255 N 8.21 0.00 1.04 2.66 0.00 -1.43 -1.40 103.07 112.15 3m82 h GLY 255 Ca -0.30 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 3m82 h GLY 255 CO 0.85 0.00 0.16 -2.08 0.00 0.00 0.00 176.54 175.47 3m82 h VAL 256 N 0.00 1.26 -0.16 4.60 2.07 -1.91 -0.66 116.25 121.45 3m82 h VAL 256 Ca -0.00 -0.94 -0.14 0.00 0.82 0.00 0.00 66.70 66.44 3m82 h VAL 256 Cb 0.07 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3m82 h VAL 256 CO 0.00 0.36 -0.51 0.78 0.02 0.00 0.00 177.57 178.21 3m82 h ASN 257 N 0.97 0.48 -0.26 0.57 2.35 -1.60 -2.72 115.58 115.36 3m82 h ASN 257 Ca 0.21 -0.24 -0.19 0.00 -0.55 0.00 0.00 56.30 55.53 3m82 h ASN 257 Cb 0.36 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3m82 h ASN 257 CO 0.00 0.91 -0.56 -0.26 -1.65 0.00 0.00 177.43 175.87 3m82 h PHE 258 N 0.34 1.09 -0.68 1.19 0.04 -1.51 -3.27 116.94 114.14 3m82 h PHE 258 Ca 0.01 -0.39 0.12 0.00 2.80 0.00 0.00 57.97 60.51 3m82 h PHE 258 Cb 1.02 -0.20 -0.09 0.00 2.20 0.00 0.00 35.95 38.88 3m82 h PHE 258 CO 0.03 1.22 0.25 0.00 -0.60 0.00 0.00 178.31 179.21 3m82 h ALA 259 N 0.69 0.91 0.00 2.45 0.00 -1.02 -1.55 119.26 120.75 3m82 h ALA 259 Ca 0.01 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3m82 h ALA 259 Cb 1.17 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3m82 h ALA 259 CO 0.12 -0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.15 3m82 h ALA 260 N 1.50 1.00 0.00 0.00 0.00 -1.49 -2.16 119.26 118.11 3m82 h ALA 260 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3m82 h ALA 260 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3m82 h ALA 260 CO -0.38 0.00 -0.73 0.54 0.00 0.00 0.00 179.25 178.69 3m82 n ARG 261 N -2.94 1.98 -3.04 0.00 1.74 -0.64 -4.62 116.66 109.15 3m82 n ARG 261 Ca -0.02 -0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.68 3m82 n ARG 261 Cb 0.11 -1.22 -0.06 0.00 -1.02 0.00 0.00 32.46 30.27 3m82 n ARG 261 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3m82 s ALA 262 N -2.44 3.43 -0.00 7.54 0.00 -0.87 -4.82 121.76 124.61 3m82 s ALA 262 Ca 0.06 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.28 3m82 s ALA 262 Cb 0.11 -2.89 -0.00 0.00 0.00 0.00 0.00 23.12 20.35 3m82 s ALA 262 CO 0.62 0.31 0.00 1.63 0.00 0.00 0.00 175.76 178.32 3m82 n LYS 263 N 1.20 2.34 -2.18 0.00 4.76 -1.26 -1.32 118.16 121.69 3m82 n LYS 263 Ca -0.04 -0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.08 3m82 n LYS 263 Cb 0.50 -0.83 -0.01 0.00 -1.84 0.00 0.00 35.03 32.84 3m82 n LYS 263 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3m82 s ILE 264 N -1.67 4.28 0.40 -0.18 -4.36 -1.26 -4.19 121.20 114.23 3m82 s ILE 264 Ca -0.00 1.03 -0.27 0.00 -0.26 0.00 0.00 60.65 61.16 3m82 s ILE 264 Cb 0.00 -3.60 -0.10 0.00 1.25 0.00 0.00 42.46 40.00 3m82 s ILE 264 CO 0.00 -0.68 1.45 -2.65 0.24 0.00 0.00 174.94 173.30 3m82 n PRO 265 N -1.93 2.46 -3.86 0.37 -0.02 -1.26 -4.16 135.00 126.61 3m82 n PRO 265 Ca 0.07 0.87 -0.12 0.00 -2.02 0.00 0.00 63.50 62.30 3m82 n PRO 265 Cb 0.54 -2.62 -0.14 0.00 -0.02 0.00 0.00 33.50 31.25 3m82 n PRO 265 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m82 s ALA 266 N -1.15 -0.00 -0.23 3.55 0.00 -0.30 -0.96 121.76 122.67 3m82 s ALA 266 Ca 0.57 0.04 -0.03 0.00 0.00 0.00 0.00 51.96 52.53 3m82 s ALA 266 Cb -0.47 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 22.63 3m82 s ALA 266 CO 0.61 -0.01 -0.05 -1.17 0.00 0.00 0.00 175.76 175.14 3m82 s LEU 267 N 0.10 3.01 0.27 0.00 2.96 -0.36 -1.41 118.68 123.25 3m82 s LEU 267 Ca -0.01 -0.61 0.03 0.00 -0.22 0.00 0.00 54.13 53.33 3m82 s LEU 267 Cb -0.01 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 3m82 s LEU 267 CO -0.00 -0.07 0.42 -0.36 -1.32 0.00 0.00 176.35 175.02 3m82 s PHE 268 N 1.41 3.47 0.05 5.38 0.40 0.25 -1.00 117.98 127.94 3m82 s PHE 268 Ca 0.04 0.13 0.01 0.00 -0.60 0.00 0.00 56.93 56.51 3m82 s PHE 268 Cb -0.15 -1.70 -0.03 0.00 0.51 0.00 0.00 43.02 41.65 3m82 s PHE 268 CO -0.04 0.34 -0.05 -1.54 0.70 0.00 0.00 175.22 174.62 3m82 s SER 269 N -3.90 0.67 -0.07 1.36 1.04 -0.77 -1.28 113.70 110.74 3m82 s SER 269 Ca 0.36 -0.74 -0.11 0.00 0.48 0.00 0.00 55.95 55.94 3m82 s SER 269 Cb -0.09 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.15 3m82 s SER 269 CO 0.31 -0.38 0.27 0.54 0.98 0.00 0.00 173.24 174.96 3m82 s VAL 270 N -2.49 0.02 -0.21 5.02 0.11 -0.78 -1.23 120.40 120.85 3m82 s VAL 270 Ca -0.03 -0.18 -0.05 0.00 -2.93 0.00 0.00 61.98 58.79 3m82 s VAL 270 Cb -0.02 -0.45 -0.02 0.00 -1.53 0.00 0.00 36.38 34.35 3m82 s VAL 270 CO -0.04 -0.10 -0.01 -0.83 -3.33 0.00 0.00 175.10 170.80 3m82 s GLY 271 N -0.35 1.69 0.36 6.54 0.00 -1.26 -1.27 107.32 113.02 3m82 s GLY 271 Ca -0.05 -1.04 0.27 0.00 0.00 0.00 0.00 44.72 43.90 3m82 s GLY 271 CO 0.01 0.29 1.81 1.41 0.00 0.00 0.00 173.10 176.62 3m82 h LEU 272 N 7.67 0.00 -3.08 0.66 3.38 -1.36 -2.10 115.31 120.47 3m82 h LEU 272 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3m82 h LEU 272 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3m82 h LEU 272 CO 0.60 0.00 0.00 0.23 0.09 0.00 0.00 178.44 179.36 3m82 n MET 273 N -2.52 3.17 -2.20 1.13 2.81 -0.78 -4.60 117.12 114.13 3m82 n MET 273 Ca 0.01 -2.57 -0.43 0.00 -1.81 0.00 0.00 57.70 52.91 3m82 n MET 273 Cb 0.25 -1.65 -0.02 0.00 -0.71 0.00 0.00 33.22 31.09 3m82 n MET 273 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3m82 s ASP 274 N -1.26 6.21 0.00 7.83 -1.08 -0.79 -4.43 116.67 123.15 3m82 s ASP 274 Ca 0.38 1.12 0.20 0.00 -0.52 0.00 0.00 52.55 53.73 3m82 s ASP 274 Cb 0.26 -2.53 0.41 0.00 -1.46 0.00 0.00 42.92 39.59 3m82 s ASP 274 CO 0.17 -1.49 1.35 -0.46 0.52 0.00 0.00 175.17 175.26 3m82 n ASN 275 N 9.21 3.33 -0.10 -0.34 6.94 -1.26 -3.54 115.26 129.50 3m82 n ASN 275 Ca 0.19 -1.95 -0.20 0.00 -0.02 0.00 0.00 54.58 52.60 3m82 n ASN 275 Cb 0.47 -0.26 -0.09 0.00 -2.36 0.00 0.00 39.78 37.53 3m82 n ASN 275 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 3m82 n ILE 276 N 1.30 1.51 -3.88 1.53 2.08 -1.26 -4.58 119.36 116.07 3m82 n ILE 276 Ca 0.18 -0.04 -0.31 0.00 0.56 0.00 0.00 62.75 63.14 3m82 n ILE 276 Cb 0.55 -2.08 -0.12 0.00 -0.75 0.00 0.00 39.64 37.24 3m82 n ILE 276 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3m82 n PRO 278 N 2.84 1.41 -0.36 0.00 -0.02 -1.23 -4.76 135.00 132.89 3m82 n PRO 278 Ca 0.10 0.53 0.10 0.00 -2.02 0.00 0.00 63.50 62.22 3m82 n PRO 278 Cb 0.34 -2.55 0.28 0.00 -0.02 0.00 0.00 33.50 31.55 3m82 n PRO 278 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3m82 h PRO 279 N 0.99 0.85 -0.26 0.52 0.11 -1.79 -1.54 132.00 130.88 3m82 h PRO 279 Ca -0.51 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.53 3m82 h PRO 279 Cb 1.32 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3m82 h PRO 279 CO 0.55 0.56 0.05 0.66 -0.21 0.00 0.00 178.00 179.61 3m82 h SER 280 N 0.87 0.34 -0.00 -2.05 4.64 -1.93 0.32 113.55 115.74 3m82 h SER 280 Ca 0.54 -0.04 -0.25 0.00 -0.47 0.00 0.00 61.79 61.57 3m82 h SER 280 Cb 0.71 -0.09 0.02 0.00 -0.31 0.00 0.00 62.40 62.73 3m82 h SER 280 CO -0.33 0.36 -0.98 0.71 -0.87 0.00 0.00 176.83 175.72 3m82 h THR 281 N 0.37 1.29 -0.23 2.95 1.35 -1.60 -1.39 112.91 115.64 3m82 h THR 281 Ca 0.09 -2.20 -0.04 0.00 -0.55 0.00 0.00 66.41 63.71 3m82 h THR 281 Cb 0.17 2.29 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 3m82 h THR 281 CO -0.00 0.68 -0.01 0.58 -0.25 0.00 0.00 175.52 176.52 3m82 h VAL 282 N 0.42 1.26 -0.25 6.82 2.07 -1.33 -2.88 116.25 122.35 3m82 h VAL 282 Ca -0.11 -0.94 -0.11 0.00 0.82 0.00 0.00 66.70 66.37 3m82 h VAL 282 Cb 1.62 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 3m82 h VAL 282 CO 0.19 0.29 -0.30 -0.26 0.02 0.00 0.00 177.57 177.52 3m82 h PHE 283 N 0.19 0.59 -0.36 1.57 0.04 -1.00 0.53 116.94 118.50 3m82 h PHE 283 Ca 0.06 -0.14 0.06 0.00 2.80 0.00 0.00 57.97 60.76 3m82 h PHE 283 Cb 0.44 -0.14 -0.06 0.00 2.20 0.00 0.00 35.95 38.39 3m82 h PHE 283 CO 0.04 0.76 0.00 0.00 -0.60 0.00 0.00 178.31 178.51 3m82 h ALA 284 N 1.23 0.33 -0.40 2.45 0.00 -1.23 0.68 119.26 122.32 3m82 h ALA 284 Ca 0.06 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3m82 h ALA 284 Cb 0.75 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3m82 h ALA 284 CO 0.06 -0.39 0.09 0.00 0.00 0.00 0.00 179.25 179.01 3m82 h ALA 285 N 1.31 0.53 -0.24 0.00 0.00 -1.28 -2.63 119.26 116.96 3m82 h ALA 285 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3m82 h ALA 285 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3m82 h ALA 285 CO -0.29 0.22 0.16 -0.92 0.00 0.00 0.00 179.25 178.41 3m82 h TYR 286 N 0.51 0.30 -0.23 0.00 3.20 -0.67 -1.87 116.97 118.21 3m82 h TYR 286 Ca 0.13 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.91 3m82 h TYR 286 Cb 0.32 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 3m82 h TYR 286 CO 0.02 0.19 -0.26 -0.91 -1.64 0.00 0.00 178.16 175.56 3m82 h ASN 287 N 0.32 0.45 1.18 -2.11 2.35 -0.87 -2.62 115.58 114.28 3m82 h ASN 287 Ca 0.09 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3m82 h ASN 287 Cb -0.04 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.21 3m82 h ASN 287 CO -0.02 0.70 -0.13 -1.22 -1.65 0.00 0.00 177.43 175.11 3m82 n TYR 288 N -4.12 0.55 -1.68 1.19 4.01 -0.99 -4.89 117.16 111.22 3m82 n TYR 288 Ca -0.00 0.16 -0.45 0.00 -0.16 0.00 0.00 57.90 57.44 3m82 n TYR 288 Cb 0.40 -0.73 -0.04 0.00 -0.31 0.00 0.00 39.34 38.67 3m82 n TYR 288 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 3m82 n TYR 289 N -1.97 2.41 1.00 -0.72 9.36 -0.71 -3.36 117.16 123.17 3m82 n TYR 289 Ca 0.06 0.09 0.11 0.00 3.32 0.00 0.00 57.90 61.47 3m82 n TYR 289 Cb 0.40 -2.63 0.01 0.00 -0.63 0.00 0.00 39.34 36.50 3m82 n TYR 289 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3m82 n ALA 290 N 4.74 3.36 -1.99 2.98 0.00 -0.85 -4.93 120.51 123.81 3m82 n ALA 290 Ca 0.18 -0.65 -0.21 0.00 0.00 0.00 0.00 53.44 52.76 3m82 n ALA 290 Cb 0.31 -0.79 0.06 0.00 0.00 0.00 0.00 19.45 19.03 3m82 n ALA 290 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3m82 s GLY 291 N -2.39 1.81 0.32 0.00 0.00 -0.43 -4.73 107.32 101.91 3m82 s GLY 291 Ca 0.20 -1.61 -0.29 0.00 0.00 0.00 0.00 44.72 43.02 3m82 s GLY 291 CO 0.52 -1.24 1.53 -1.05 0.00 0.00 0.00 173.10 172.86 3m82 n PRO 292 N -2.39 2.62 -3.72 2.90 -0.02 -1.26 -4.87 135.00 128.26 3m82 n PRO 292 Ca 0.11 0.93 -0.14 0.00 -2.02 0.00 0.00 63.50 62.38 3m82 n PRO 292 Cb 0.60 -2.67 -0.08 0.00 -0.02 0.00 0.00 33.50 31.33 3m82 n PRO 292 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3m82 s LYS 293 N -1.18 0.74 0.06 -0.52 -2.85 -1.26 -1.14 119.74 113.59 3m82 s LYS 293 Ca 0.60 -0.16 0.02 0.00 -1.00 0.00 0.00 55.97 55.43 3m82 s LYS 293 Cb -0.50 0.33 -0.03 0.00 -2.06 0.00 0.00 37.83 35.57 3m82 s LYS 293 CO 0.55 -0.21 -0.08 -1.21 0.10 0.00 0.00 175.35 174.50 3m82 s GLU 294 N -1.45 0.63 -0.05 1.78 2.02 -0.50 -4.97 118.70 116.16 3m82 s GLU 294 Ca -0.12 -0.95 0.02 0.00 0.02 0.00 0.00 54.97 53.94 3m82 s GLU 294 Cb -0.04 -0.28 0.01 0.00 0.10 0.00 0.00 34.13 33.92 3m82 s GLU 294 CO 0.04 0.03 -0.11 -1.50 0.02 0.00 0.00 175.26 173.74 3m82 s ILE 295 N -2.10 1.04 -0.24 -1.63 2.07 -1.26 -0.58 121.20 118.50 3m82 s ILE 295 Ca -0.03 -0.45 -0.14 0.00 -1.41 0.00 0.00 60.65 58.62 3m82 s ILE 295 Cb -0.05 -0.95 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 3m82 s ILE 295 CO -0.01 0.33 0.34 -0.13 -1.91 0.00 0.00 174.94 173.55 3m82 s ARG 296 N 0.55 4.08 -0.20 3.50 1.81 -0.41 -4.97 118.95 123.32 3m82 s ARG 296 Ca -0.11 0.03 -0.06 0.00 -1.72 0.00 0.00 55.73 53.86 3m82 s ARG 296 Cb -0.14 -3.59 -0.03 0.00 -0.45 0.00 0.00 34.95 30.74 3m82 s ARG 296 CO 0.03 -0.12 0.04 0.42 -0.68 0.00 0.00 175.30 174.98 3m82 s ILE 297 N 1.58 4.38 -0.46 1.52 1.01 -1.26 -1.86 121.20 126.11 3m82 s ILE 297 Ca 0.15 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.66 3m82 s ILE 297 Cb -0.15 -2.98 0.12 0.00 0.01 0.00 0.00 42.46 39.46 3m82 s ILE 297 CO 0.08 0.43 0.20 -0.31 0.00 0.00 0.00 174.94 175.34 3m82 s TYR 298 N 0.76 3.42 0.47 3.97 2.02 -0.40 -4.99 117.35 122.60 3m82 s TYR 298 Ca 0.02 -3.06 0.13 0.00 -0.37 0.00 0.00 57.07 53.79 3m82 s TYR 298 Cb -0.14 -2.90 1.08 0.00 -0.40 0.00 0.00 41.96 39.60 3m82 s TYR 298 CO 0.02 -0.83 2.08 -1.35 -1.57 0.00 0.00 175.55 173.90 3m82 h PRO 299 N 6.99 0.15 -0.12 -1.71 0.11 -1.96 -2.13 132.00 133.33 3m82 h PRO 299 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3m82 h PRO 299 Cb 0.95 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3m82 h PRO 299 CO 0.63 0.15 0.00 0.66 -0.21 0.00 0.00 178.00 179.24 3m82 n TYR 300 N -4.46 0.15 -3.57 0.65 4.01 -1.26 -4.10 117.16 108.57 3m82 n TYR 300 Ca -0.01 -0.12 -0.35 0.00 -0.16 0.00 0.00 57.90 57.25 3m82 n TYR 300 Cb 0.13 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.10 3m82 n TYR 300 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3m82 s ASN 301 N -1.14 6.66 0.00 7.72 -0.87 -1.15 -4.84 114.94 121.32 3m82 s ASN 301 Ca 0.20 0.80 0.00 0.00 -1.57 0.00 0.00 52.86 52.29 3m82 s ASN 301 Cb 0.13 -2.18 0.00 0.00 -0.02 0.00 0.00 41.25 39.17 3m82 s ASN 301 CO 0.18 0.20 0.00 0.59 -2.57 0.00 0.00 177.10 175.50 3m82 n ASN 302 N 1.04 0.00 0.24 -1.22 5.03 -1.26 -1.86 115.26 117.22 3m82 n ASN 302 Ca -0.09 0.00 0.16 0.00 0.87 0.00 0.00 54.58 55.52 3m82 n ASN 302 Cb 0.52 0.00 0.72 0.00 -1.02 0.00 0.00 39.78 40.00 3m82 n ASN 302 CO 0.00 0.00 0.00 -0.74 -1.83 0.00 0.00 177.26 174.69 3m82 h HIS 303 N 0.00 0.00 0.00 3.10 -0.00 -1.92 -1.59 115.15 114.74 3m82 h HIS 303 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3m82 h HIS 303 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.41 3m82 h HIS 303 CO 0.00 0.00 -0.01 1.05 -0.00 0.00 0.00 177.93 178.97 3m82 h GLU 304 N 0.00 0.00 0.00 5.26 9.09 -1.99 -3.48 114.58 123.46 3m82 h GLU 304 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3m82 h GLU 304 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.44 3m82 h GLU 304 CO 0.00 0.01 0.00 0.41 0.05 0.00 0.00 179.01 179.48 3m82 n GLY 305 N -1.10 3.06 0.11 1.06 0.00 -0.60 -2.58 105.19 105.15 3m82 n GLY 305 Ca -0.03 -0.28 0.14 0.00 0.00 0.00 0.00 46.02 45.85 3m82 n GLY 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m82 n GLY 306 N 0.00 -0.96 7.00 -0.02 0.00 -1.26 -4.80 105.19 105.15 3m82 n GLY 306 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3m82 n GLY 306 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m82 n GLY 307 N 1.32 2.99 0.23 -0.02 0.00 -1.06 -1.95 105.19 106.69 3m82 n GLY 307 Ca 0.13 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.08 3m82 n GLY 307 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3m82 h SER 308 N 2.80 0.00 -0.58 1.61 0.02 -1.95 -2.46 113.55 112.99 3m82 h SER 308 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3m82 h SER 308 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3m82 h SER 308 CO 0.00 0.20 0.35 -0.26 -1.14 0.00 0.00 176.83 175.99 3m82 h PHE 309 N 0.00 0.77 -0.29 3.45 -1.00 -1.82 -2.71 116.94 115.34 3m82 h PHE 309 Ca -0.00 -0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.67 3m82 h PHE 309 Cb 0.73 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 3m82 h PHE 309 CO 0.00 0.52 -0.25 0.37 -1.61 0.00 0.00 178.31 177.34 3m82 h GLN 310 N 0.79 0.57 -0.83 1.51 5.75 -1.06 -2.53 115.11 119.31 3m82 h GLN 310 Ca 0.21 -0.22 0.04 0.00 -0.15 0.00 0.00 58.65 58.52 3m82 h GLN 310 Cb -0.02 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.45 3m82 h GLN 310 CO -0.04 0.77 0.53 0.00 -2.65 0.00 0.00 178.83 177.44 3m82 h ALA 311 N 1.23 1.10 -0.48 3.38 0.00 -1.40 -0.39 119.26 122.70 3m82 h ALA 311 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3m82 h ALA 311 Cb 0.70 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3m82 h ALA 311 CO 0.05 0.35 0.28 0.28 0.00 0.00 0.00 179.25 180.21 3m82 h VAL 312 N 1.03 1.16 -0.84 0.00 2.07 -1.34 -2.53 116.25 115.81 3m82 h VAL 312 Ca 0.34 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.49 3m82 h VAL 312 Cb 0.02 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 3m82 h VAL 312 CO -0.12 0.17 0.55 -0.33 0.02 0.00 0.00 177.57 177.86 3m82 h GLU 313 N 0.64 1.04 -0.30 1.57 4.39 -0.92 -2.24 114.58 118.76 3m82 h GLU 313 Ca 0.17 -0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.74 3m82 h GLU 313 Cb 0.03 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 3m82 h GLU 313 CO -0.03 0.69 -0.09 1.96 -1.16 0.00 0.00 179.01 180.38 3m82 h GLN 314 N 1.07 0.59 -0.56 2.33 4.20 -0.94 -0.02 115.11 121.78 3m82 h GLN 314 Ca 0.33 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 3m82 h GLN 314 Cb -0.02 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 3m82 h GLN 314 CO -0.09 0.79 0.25 0.28 -0.67 0.00 0.00 178.83 179.40 3m82 h VAL 315 N 0.35 1.21 -0.42 -0.54 2.07 -1.34 -2.06 116.25 115.52 3m82 h VAL 315 Ca 0.07 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 3m82 h VAL 315 Cb 0.59 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3m82 h VAL 315 CO 0.03 0.25 0.20 0.11 0.02 0.00 0.00 177.57 178.18 3m82 h LYS 316 N 0.77 0.61 -0.36 1.57 1.57 -1.38 -2.28 116.57 117.07 3m82 h LYS 316 Ca 0.19 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 3m82 h LYS 316 Cb 0.15 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 3m82 h LYS 316 CO -0.02 0.53 0.14 0.35 -0.57 0.00 0.00 179.45 179.88 3m82 h PHE 317 N 0.54 0.25 -0.22 -1.35 3.57 -0.86 -2.34 116.94 116.53 3m82 h PHE 317 Ca 0.15 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.51 3m82 h PHE 317 Cb 0.13 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.81 3m82 h PHE 317 CO -0.01 0.11 -0.45 -0.07 -2.23 0.00 0.00 178.31 175.67 3m82 h LEU 318 N 0.30 0.78 -0.45 0.59 3.38 -1.38 -1.27 115.31 117.26 3m82 h LEU 318 Ca 0.16 -0.55 0.06 0.00 0.09 0.00 0.00 57.88 57.64 3m82 h LEU 318 Cb 0.12 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3m82 h LEU 318 CO -0.15 1.18 0.16 0.50 0.09 0.00 0.00 178.44 180.22 3m82 h LYS 319 N 0.40 0.33 -0.39 1.13 3.64 -1.34 -1.16 116.57 119.17 3m82 h LYS 319 Ca 0.01 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 3m82 h LYS 319 Cb 1.05 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 3m82 h LYS 319 CO 0.10 0.22 0.03 -0.22 -2.27 0.00 0.00 179.45 177.30 3m82 h LYS 320 N 0.34 0.67 -0.57 1.90 3.64 -1.43 -2.63 116.57 118.49 3m82 h LYS 320 Ca 0.21 -0.20 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3m82 h LYS 320 Cb 0.20 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 3m82 h LYS 320 CO -0.21 0.75 0.32 1.25 -2.27 0.00 0.00 179.45 179.29 3m82 h LEU 321 N 0.50 0.49 -0.96 5.20 5.85 -0.86 -3.04 115.31 122.50 3m82 h LEU 321 Ca 0.11 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3m82 h LEU 321 Cb 0.43 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3m82 h LEU 321 CO 0.01 0.34 -0.02 0.49 -0.34 0.00 0.00 178.44 178.92 3m82 n PHE 322 N -4.81 0.00 1.75 1.25 3.72 -0.47 -5.09 117.46 113.81 3m82 n PHE 322 Ca 0.05 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.59 3m82 n PHE 322 Cb 0.12 -0.01 0.83 0.00 -0.94 0.00 0.00 39.48 39.48 3m82 n PHE 322 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10