#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 0.04 -3.35 1.38 -1.74 -1.26 -4.97 117.46 107.57 3m82 n PHE 4 Ca 0.00 0.01 -0.05 0.00 -0.56 0.00 0.00 57.45 56.86 3m82 n PHE 4 Cb 0.00 -0.19 0.01 0.00 1.52 0.00 0.00 39.48 40.82 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 -1.58 0.98 -4.69 5.98 -0.08 -1.26 -5.08 116.55 110.83 3m82 n ASP 5 Ca 0.04 -1.35 -0.39 0.00 -1.51 0.00 0.00 54.79 51.58 3m82 n ASP 5 Cb 0.35 -0.04 0.03 0.00 2.34 0.00 0.00 41.12 43.80 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 4.31 -4.63 -2.67 4.77 -1.26 -4.96 117.00 112.56 3m82 n LEU 6 Ca 0.01 0.98 -0.36 0.00 -0.03 0.00 0.00 56.01 56.61 3m82 n LEU 6 Cb 0.12 -1.48 0.07 0.00 -2.33 0.00 0.00 43.42 39.80 3m82 n LEU 6 CO 0.08 -1.00 0.60 -2.65 -1.33 0.00 0.00 177.39 173.08 3m82 n PRO 7 N -0.56 0.72 -0.31 3.23 -0.02 -1.26 -4.64 135.00 132.17 3m82 n PRO 7 Ca 0.10 0.30 0.05 0.00 -2.02 0.00 0.00 63.50 61.93 3m82 n PRO 7 Cb 0.43 -2.26 0.25 0.00 -0.02 0.00 0.00 33.50 31.90 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 0.09 0.89 -1.12 2.45 5.85 -1.99 0.18 115.31 121.66 3m82 h LEU 8 Ca -0.48 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.21 3m82 h LEU 8 Cb 1.35 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 3m82 h LEU 8 CO 0.49 0.55 0.20 -0.33 -0.34 0.00 0.00 178.44 179.00 3m82 h GLU 9 N 0.99 0.82 -0.14 1.25 3.07 -2.00 -1.48 114.58 117.09 3m82 h GLU 9 Ca 0.41 -0.14 -0.18 0.00 -0.50 0.00 0.00 59.36 58.95 3m82 h GLU 9 Cb 0.29 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 28.07 3m82 h GLU 9 CO -0.17 0.69 -0.61 0.93 -1.40 0.00 0.00 179.01 178.46 3m82 h GLU 10 N 0.80 0.67 -0.74 2.33 5.08 -1.57 -3.28 114.58 117.88 3m82 h GLU 10 Ca 0.19 -0.52 0.13 0.00 -1.00 0.00 0.00 59.36 58.15 3m82 h GLU 10 Cb 0.20 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.46 3m82 h GLU 10 CO -0.01 1.14 0.30 -0.07 -1.00 0.00 0.00 179.01 179.37 3m82 h LEU 11 N 0.34 0.30 -1.16 1.33 3.38 -0.68 -1.49 115.31 117.34 3m82 h LEU 11 Ca -0.04 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3m82 h LEU 11 Cb 1.24 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3m82 h LEU 11 CO 0.13 0.13 0.00 0.11 0.09 0.00 0.00 178.44 178.90 3m82 h LYS 12 N 0.46 0.00 -0.05 1.13 1.57 -1.34 -2.35 116.57 116.00 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 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3m82 h LYS 12 CO -0.38 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.13 3m82 n LYS 13 N -2.47 0.89 -2.27 3.15 5.02 -0.81 -5.01 118.16 116.65 3m82 n LYS 13 Ca 0.01 -1.31 -0.43 0.00 -2.02 0.00 0.00 58.31 54.56 3m82 n LYS 13 Cb 0.20 -1.24 -0.02 0.00 -0.02 0.00 0.00 35.03 33.94 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 -1.01 2.26 -0.43 2.13 5.04 -0.62 -4.91 117.35 119.80 3m82 s TYR 14 Ca 0.15 0.65 0.07 0.00 -2.44 0.00 0.00 57.07 55.51 3m82 s TYR 14 Cb 0.10 -4.28 0.25 0.00 0.35 0.00 0.00 41.96 38.38 3m82 s TYR 14 CO 0.15 -2.21 0.55 0.54 -1.34 0.00 0.00 175.55 173.24 3m82 n ARG 15 N 8.18 0.97 -1.43 4.97 1.74 -1.26 -4.37 116.66 125.47 3m82 n ARG 15 Ca 0.18 -3.45 -0.34 0.00 -0.77 0.00 0.00 57.85 53.47 3m82 n ARG 15 Cb 0.48 -1.40 0.09 0.00 -1.02 0.00 0.00 32.46 30.61 3m82 n ARG 15 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3m82 s PRO 16 N -1.32 2.15 0.18 5.56 0.04 -1.26 -4.88 135.00 135.46 3m82 s PRO 16 Ca 0.36 1.72 -0.32 0.00 0.04 0.00 0.00 61.00 62.80 3m82 s PRO 16 Cb 0.16 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.75 3m82 s PRO 16 CO -0.10 -1.82 1.77 -1.91 0.04 0.00 0.00 177.00 174.98 3m82 n GLU 17 N -2.76 2.81 -2.93 4.56 2.13 -1.26 -4.94 120.64 118.25 3m82 n GLU 17 Ca 0.13 1.02 -0.35 0.00 0.66 0.00 0.00 57.16 58.62 3m82 n GLU 17 Cb 0.50 -2.88 -0.06 0.00 0.27 0.00 0.00 31.44 29.27 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 1.72 4.31 -0.14 5.31 0.52 -1.26 -5.06 118.95 124.34 3m82 s ARG 18 Ca 0.77 1.05 0.01 0.00 -0.52 0.00 0.00 55.73 57.04 3m82 s ARG 18 Cb -0.49 -2.58 0.02 0.00 0.52 0.00 0.00 34.95 32.42 3m82 s ARG 18 CO 0.34 0.20 -0.15 -0.47 0.02 0.00 0.00 175.30 175.23 3m82 s TYR 19 N -1.82 2.19 0.07 -0.53 5.04 -1.26 -5.13 117.35 115.92 3m82 s TYR 19 Ca 0.53 -1.19 -0.12 0.00 -2.44 0.00 0.00 57.07 53.84 3m82 s TYR 19 Cb -0.14 -1.59 0.01 0.00 0.35 0.00 0.00 41.96 40.59 3m82 s TYR 19 CO 0.19 -0.63 0.28 -1.83 -1.34 0.00 0.00 175.55 172.22 3m82 s GLU 20 N 1.33 0.86 0.56 4.97 -1.05 -1.26 -4.83 118.70 119.27 3m82 s GLU 20 Ca 0.02 -0.69 -0.16 0.00 -0.15 0.00 0.00 54.97 53.99 3m82 s GLU 20 Cb -0.13 0.37 -0.06 0.00 -0.44 0.00 0.00 34.13 33.86 3m82 s GLU 20 CO -0.08 -0.29 1.02 -1.21 0.95 0.00 0.00 175.26 175.65 3m82 s GLU 21 N -3.19 3.66 0.57 -4.83 0.41 -1.26 -4.95 118.70 109.11 3m82 s GLU 21 Ca -0.00 1.04 0.35 0.00 -0.41 0.00 0.00 54.97 55.94 3m82 s GLU 21 Cb 0.01 -2.09 1.70 0.00 -1.78 0.00 0.00 34.13 31.97 3m82 s GLU 21 CO -0.07 -0.52 2.12 0.87 -0.49 0.00 0.00 175.26 177.17 3m82 h LYS 22 N 0.63 0.00 -0.66 1.61 1.57 -2.04 -2.22 116.57 115.46 3m82 h LYS 22 Ca -0.47 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.24 3m82 h LYS 22 Cb 1.20 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.46 3m82 h LYS 22 CO 0.60 0.05 0.10 -0.40 -0.57 0.00 0.00 179.45 179.22 3m82 n ASP 23 N -3.28 5.30 -0.08 0.86 5.75 -1.26 -4.66 116.55 119.17 3m82 n ASP 23 Ca -0.01 -3.00 -0.07 0.00 -0.01 0.00 0.00 54.79 51.71 3m82 n ASP 23 Cb 0.22 -0.70 -0.00 0.00 -1.03 0.00 0.00 41.12 39.60 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 3.41 -0.49 -0.37 2.11 3.04 -1.79 0.98 116.94 123.84 3m82 h PHE 24 Ca 0.09 0.04 -0.09 0.00 3.98 0.00 0.00 57.97 61.99 3m82 h PHE 24 Cb 2.06 0.27 -0.01 0.00 2.56 0.00 0.00 35.95 40.83 3m82 h PHE 24 CO 1.13 -0.27 -0.12 -0.44 -2.02 0.00 0.00 178.31 176.59 3m82 h ASP 25 N -0.15 0.74 -0.31 0.41 3.32 -1.86 -2.78 116.42 115.79 3m82 h ASP 25 Ca 0.17 -0.38 0.03 0.00 0.02 0.00 0.00 57.03 56.87 3m82 h ASP 25 Cb 0.41 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 3m82 h ASP 25 CO -0.42 0.95 0.12 -0.08 -1.72 0.00 0.00 179.24 178.10 3m82 h GLU 26 N 0.52 0.26 -0.51 3.56 4.81 -1.85 0.55 114.58 121.93 3m82 h GLU 26 Ca 0.09 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.40 3m82 h GLU 26 Cb 0.64 -0.06 -0.09 0.00 0.63 0.00 0.00 28.75 29.88 3m82 h GLU 26 CO 0.04 0.17 -0.05 0.35 -0.73 0.00 0.00 179.01 178.80 3m82 h PHE 27 N 0.27 -0.12 -0.21 0.92 3.57 -0.76 0.98 116.94 121.59 3m82 h PHE 27 Ca 0.13 0.04 -0.19 0.00 3.53 0.00 0.00 57.97 61.49 3m82 h PHE 27 Cb 0.08 0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.96 3m82 h PHE 27 CO -0.12 -0.16 -0.62 -1.49 -2.23 0.00 0.00 178.31 173.69 3m82 h TRP 28 N 0.07 0.95 0.07 0.41 4.06 -1.19 -1.79 115.95 118.53 3m82 h TRP 28 Ca 0.25 -0.36 0.01 0.00 2.06 0.00 0.00 58.89 60.85 3m82 h TRP 28 Cb 0.39 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.36 3m82 h TRP 28 CO -0.36 1.17 -0.12 0.93 -3.56 0.00 0.00 178.44 176.50 3m82 h GLU 29 N 0.55 -0.23 -0.64 0.49 5.08 -0.52 -0.85 114.58 118.46 3m82 h GLU 29 Ca -0.01 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 3m82 h GLU 29 Cb 1.21 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.48 3m82 h GLU 29 CO 0.13 -0.15 0.40 0.93 -1.00 0.00 0.00 179.01 179.31 3m82 h GLU 30 N -0.24 0.76 0.06 2.33 5.08 -0.83 -0.18 114.58 121.55 3m82 h GLU 30 Ca 0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3m82 h GLU 30 Cb 0.25 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3m82 h GLU 30 CO -0.06 0.50 -0.07 1.15 -1.00 0.00 0.00 179.01 179.53 3m82 h THR 31 N 0.78 0.83 -0.35 1.13 2.02 -1.11 -0.96 112.91 115.25 3m82 h THR 31 Ca 0.26 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.38 3m82 h THR 31 Cb 0.02 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3m82 h THR 31 CO -0.11 0.00 -0.03 -0.07 0.37 0.00 0.00 175.52 175.69 3m82 h LEU 32 N -0.15 0.63 -0.37 2.58 3.38 -1.03 -2.60 115.31 117.74 3m82 h LEU 32 Ca 0.01 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.67 3m82 h LEU 32 Cb 0.16 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3m82 h LEU 32 CO -0.03 0.80 0.20 0.00 0.09 0.00 0.00 178.44 179.51 3m82 h ALA 33 N 0.84 0.46 -0.74 1.53 0.00 -0.97 0.44 119.26 120.82 3m82 h ALA 33 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3m82 h ALA 33 Cb 0.50 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3m82 h ALA 33 CO 0.02 -0.16 0.45 0.93 0.00 0.00 0.00 179.25 180.49 3m82 h GLU 34 N 0.41 0.82 0.00 0.00 5.08 -1.14 -2.76 114.58 116.99 3m82 h GLU 34 Ca 0.15 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 3m82 h GLU 34 Cb 0.03 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3m82 h GLU 34 CO -0.09 0.54 -0.65 0.77 -1.00 0.00 0.00 179.01 178.59 3m82 h SER 35 N 0.84 0.00 0.67 1.42 0.02 -1.05 -3.02 113.55 112.43 3m82 h SER 35 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3m82 h SER 35 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3m82 h SER 35 CO -0.15 0.65 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 -0.63 -2.86 114.58 119.62 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 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3m82 h GLU 36 CO 0.08 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.72 3m82 n LYS 37 N -2.86 0.14 -3.91 2.33 5.02 -1.14 -4.58 118.16 113.15 3m82 n LYS 37 Ca -0.00 0.36 -0.35 0.00 -2.02 0.00 0.00 58.31 56.30 3m82 n LYS 37 Cb 0.22 -1.75 -0.05 0.00 -0.02 0.00 0.00 35.03 33.42 3m82 n LYS 37 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3m82 s PHE 38 N -3.21 3.56 0.26 2.13 0.40 -1.08 -5.07 117.98 114.97 3m82 s PHE 38 Ca 0.05 0.43 -0.30 0.00 -0.60 0.00 0.00 56.93 56.52 3m82 s PHE 38 Cb 0.10 -1.87 -0.09 0.00 0.51 0.00 0.00 43.02 41.66 3m82 s PHE 38 CO 0.37 0.68 1.29 -1.25 0.70 0.00 0.00 175.22 177.01 3m82 s PRO 39 N -1.51 4.40 0.25 0.24 0.04 -1.26 -4.91 135.00 132.25 3m82 s PRO 39 Ca 0.21 2.09 -0.02 0.00 0.04 0.00 0.00 61.00 63.32 3m82 s PRO 39 Cb -0.12 -3.15 0.49 0.00 0.04 0.00 0.00 34.50 31.76 3m82 s PRO 39 CO 0.12 -0.18 1.76 1.25 0.04 0.00 0.00 177.00 179.99 3m82 h LEU 40 N 4.47 0.46 -3.45 -3.56 5.85 -1.90 -3.42 115.31 113.76 3m82 h LEU 40 Ca -0.46 0.09 -0.56 0.00 0.84 0.00 0.00 57.88 57.78 3m82 h LEU 40 Cb 1.22 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 3m82 h LEU 40 CO 0.72 0.20 -0.99 -0.67 -0.34 0.00 0.00 178.44 177.36 3m82 n ASP 41 N -4.90 -3.54 -4.75 1.25 2.03 -1.26 -1.51 116.55 103.87 3m82 n ASP 41 Ca 0.16 -1.23 -0.41 0.00 0.52 0.00 0.00 54.79 53.83 3m82 n ASP 41 Cb 0.41 -2.09 -0.04 0.00 -0.72 0.00 0.00 41.12 38.68 3m82 n ASP 41 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3m82 s PRO 42 N -7.09 4.56 -0.09 -0.67 0.04 -1.26 -4.53 135.00 125.95 3m82 s PRO 42 Ca 0.40 1.83 0.02 0.00 0.04 0.00 0.00 61.00 63.29 3m82 s PRO 42 Cb -0.20 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 31.13 3m82 s PRO 42 CO 0.95 0.06 -0.14 0.08 0.04 0.00 0.00 177.00 177.99 3m82 s VAL 43 N -0.57 1.36 -0.21 -0.36 1.01 0.49 -5.00 120.40 117.11 3m82 s VAL 43 Ca 0.49 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 3m82 s VAL 43 Cb -0.32 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 34.83 3m82 s VAL 43 CO 0.39 0.41 -0.13 -0.36 0.00 0.00 0.00 175.10 175.41 3m82 s PHE 44 N 0.90 2.94 -0.22 5.22 0.08 -1.26 -2.08 117.98 123.56 3m82 s PHE 44 Ca -0.09 -1.57 0.01 0.00 0.12 0.00 0.00 56.93 55.40 3m82 s PHE 44 Cb -0.15 -1.99 0.05 0.00 -0.57 0.00 0.00 43.02 40.36 3m82 s PHE 44 CO 0.00 -0.75 -0.11 -2.00 -0.10 0.00 0.00 175.22 172.26 3m82 s GLU 45 N 1.31 2.14 0.27 0.44 2.12 -0.56 -4.94 118.70 119.49 3m82 s GLU 45 Ca 0.02 -0.99 -0.30 0.00 0.36 0.00 0.00 54.97 54.06 3m82 s GLU 45 Cb -0.15 -2.58 -0.11 0.00 0.26 0.00 0.00 34.13 31.56 3m82 s GLU 45 CO -0.08 -0.46 1.55 0.50 -0.54 0.00 0.00 175.26 176.23 3m82 s ARG 46 N 1.31 4.17 0.16 4.30 6.06 -1.26 -0.41 118.95 133.28 3m82 s ARG 46 Ca -0.03 2.48 0.05 0.00 -2.50 0.00 0.00 55.73 55.73 3m82 s ARG 46 Cb -0.17 -3.06 -0.04 0.00 0.06 0.00 0.00 34.95 31.74 3m82 s ARG 46 CO -0.08 -0.57 0.12 -1.64 -2.50 0.00 0.00 175.30 170.63 3m82 s MET 47 N -0.30 2.85 0.12 5.12 -1.94 -0.54 -4.88 119.30 119.73 3m82 s MET 47 Ca 0.63 -0.89 -0.30 0.00 -1.71 0.00 0.00 55.69 53.42 3m82 s MET 47 Cb -0.46 -2.62 -0.06 0.00 2.01 0.00 0.00 34.83 33.70 3m82 s MET 47 CO 0.45 0.49 1.13 -2.00 -0.01 0.00 0.00 175.02 175.07 3m82 s GLU 48 N -3.06 4.53 0.05 2.03 2.56 -1.26 -4.75 118.70 118.80 3m82 s GLU 48 Ca 0.30 1.71 -0.19 0.00 0.00 0.00 0.00 54.97 56.80 3m82 s GLU 48 Cb -0.10 -3.32 0.04 0.00 2.00 0.00 0.00 34.13 32.75 3m82 s GLU 48 CO 0.23 -0.07 0.43 0.45 -0.56 0.00 0.00 175.26 175.75 3m82 s SER 49 N 0.45 -0.31 0.00 -1.70 0.15 -1.26 -5.02 113.70 106.02 3m82 s SER 49 Ca 0.53 0.00 0.27 0.00 0.70 0.00 0.00 55.95 57.46 3m82 s SER 49 Cb -0.29 0.44 0.88 0.00 -1.71 0.00 0.00 66.02 65.34 3m82 s SER 49 CO 0.32 -0.69 1.68 1.41 1.20 0.00 0.00 173.24 177.15 3m82 n HIS 50 N 0.41 0.02 -1.69 3.44 8.25 -1.26 -4.90 115.22 119.49 3m82 n HIS 50 Ca -0.18 0.01 -0.44 0.00 -0.26 0.00 0.00 57.72 56.84 3m82 n HIS 50 Cb 0.60 -0.39 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 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 -1.52 3.42 -0.03 2.41 4.77 -1.26 -4.92 117.00 119.87 3m82 n LEU 51 Ca 0.06 1.11 -0.01 0.00 -0.03 0.00 0.00 56.01 57.14 3m82 n LEU 51 Cb 0.34 -1.47 -0.06 0.00 -2.33 0.00 0.00 43.42 39.89 3m82 n LEU 51 CO 0.31 -0.21 -0.70 0.29 -1.33 0.00 0.00 177.39 175.75 3m82 n LYS 52 N 2.92 1.94 0.00 3.23 4.76 -1.26 -4.64 118.16 125.11 3m82 n LYS 52 Ca 0.14 -0.03 0.12 0.00 -2.87 0.00 0.00 58.31 55.67 3m82 n LYS 52 Cb 0.32 -1.20 0.13 0.00 -1.84 0.00 0.00 35.03 32.43 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 -2.13 0.00 -4.15 -0.18 -2.24 -1.26 -4.92 114.28 99.40 3m82 n THR 53 Ca -0.09 -0.30 -0.15 0.00 -2.27 0.00 0.00 64.05 61.24 3m82 n THR 53 Cb 0.58 1.12 -0.13 0.00 -2.10 0.00 0.00 70.33 69.80 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 -2.33 0.57 -0.18 2.28 1.01 -1.26 -1.08 120.40 119.41 3m82 s VAL 54 Ca 0.23 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 3m82 s VAL 54 Cb 0.19 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 3m82 s VAL 54 CO 0.48 -0.11 0.25 -1.61 0.00 0.00 0.00 175.10 174.11 3m82 s GLU 55 N -0.89 4.21 -0.12 2.72 2.02 0.17 -4.85 118.70 121.96 3m82 s GLU 55 Ca -0.03 -0.01 -0.04 0.00 0.02 0.00 0.00 54.97 54.91 3m82 s GLU 55 Cb -0.06 -3.45 -0.03 0.00 0.10 0.00 0.00 34.13 30.68 3m82 s GLU 55 CO 0.00 0.20 0.03 0.00 0.02 0.00 0.00 175.26 175.51 3m82 s ALA 56 N 0.60 3.35 -0.02 5.21 0.00 -1.26 -0.87 121.76 128.77 3m82 s ALA 56 Ca 0.14 -0.77 0.07 0.00 0.00 0.00 0.00 51.96 51.39 3m82 s ALA 56 Cb -0.13 -1.65 -0.02 0.00 0.00 0.00 0.00 23.12 21.33 3m82 s ALA 56 CO 0.03 0.45 -0.22 0.71 0.00 0.00 0.00 175.76 176.73 3m82 s TYR 57 N -0.45 1.98 -0.12 0.00 1.51 0.04 -1.46 117.35 118.84 3m82 s TYR 57 Ca 0.09 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.45 3m82 s TYR 57 Cb -0.12 -1.28 -0.02 0.00 -0.11 0.00 0.00 41.96 40.43 3m82 s TYR 57 CO 0.02 -0.06 1.22 0.34 -1.11 0.00 0.00 175.55 175.96 3m82 s ASP 58 N -0.45 7.00 -0.06 2.29 -1.08 0.45 -1.44 116.67 123.37 3m82 s ASP 58 Ca 0.07 1.72 -0.00 0.00 -0.52 0.00 0.00 52.55 53.82 3m82 s ASP 58 Cb -0.09 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.79 3m82 s ASP 58 CO -0.00 -0.68 -0.02 -0.69 0.52 0.00 0.00 175.17 174.30 3m82 s VAL 59 N 2.91 4.12 -0.03 1.11 1.01 -0.51 -1.49 120.40 127.52 3m82 s VAL 59 Ca 0.54 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.16 3m82 s VAL 59 Cb -0.22 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.44 3m82 s VAL 59 CO 0.17 0.56 -0.02 -0.89 0.00 0.00 0.00 175.10 174.92 3m82 s THR 60 N -0.90 0.34 0.14 3.92 2.01 -0.89 -1.31 115.64 118.95 3m82 s THR 60 Ca 0.14 -0.04 -0.09 0.00 0.31 0.00 0.00 61.69 62.01 3m82 s THR 60 Cb -0.11 -0.38 -0.01 0.00 0.01 0.00 0.00 72.50 72.01 3m82 s THR 60 CO 0.04 0.17 0.25 0.72 -0.69 0.00 0.00 174.62 175.10 3m82 s PHE 61 N 0.78 0.32 -0.21 4.92 -0.71 -0.87 -0.38 117.98 121.83 3m82 s PHE 61 Ca -0.09 -0.70 -0.15 0.00 -1.04 0.00 0.00 56.93 54.94 3m82 s PHE 61 Cb -0.12 -0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.59 3m82 s PHE 61 CO -0.01 -0.66 0.38 -1.12 -1.34 0.00 0.00 175.22 172.47 3m82 s SER 62 N -2.93 6.40 0.00 1.98 0.01 -0.57 -0.53 113.70 118.06 3m82 s SER 62 Ca 0.13 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.87 3m82 s SER 62 Cb 0.04 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 64.05 3m82 s SER 62 CO -0.03 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.15 3m82 n GLY 63 N 4.00 0.67 3.68 3.44 0.00 0.39 -4.78 105.19 112.60 3m82 n GLY 63 Ca -0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.49 3m82 n GLY 63 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3m82 n TYR 64 N 0.00 2.51 -4.23 1.61 9.36 -1.26 -3.49 117.16 121.65 3m82 n TYR 64 Ca 0.00 -0.08 -0.35 0.00 3.32 0.00 0.00 57.90 60.80 3m82 n TYR 64 Cb 0.00 -2.70 -0.04 0.00 -0.63 0.00 0.00 39.34 35.97 3m82 n TYR 64 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3m82 n ARG 65 N 5.63 -2.51 -0.94 2.98 1.74 -1.26 -0.58 116.66 121.72 3m82 n ARG 65 Ca 0.19 0.31 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 3m82 n ARG 65 Cb 0.35 -4.73 0.00 0.00 -1.02 0.00 0.00 32.46 27.06 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 -1.61 0.65 3.74 -0.13 0.00 -1.23 -4.99 105.19 101.61 3m82 n GLY 66 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.27 4.53 -0.29 1.61 -0.21 0.26 -4.67 119.66 120.62 3m82 s GLN 67 Ca 0.00 1.81 -0.22 0.00 0.02 0.00 0.00 55.36 56.97 3m82 s GLN 67 Cb 0.00 -3.25 -0.01 0.00 1.00 0.00 0.00 33.01 30.75 3m82 s GLN 67 CO 0.00 -0.02 0.72 1.03 -2.12 0.00 0.00 175.29 174.90 3m82 s ARG 68 N -0.33 4.01 -0.09 2.91 1.81 -1.26 -0.46 118.95 125.54 3m82 s ARG 68 Ca 0.51 0.56 -0.01 0.00 -1.72 0.00 0.00 55.73 55.07 3m82 s ARG 68 Cb -0.31 -3.70 -0.03 0.00 -0.45 0.00 0.00 34.95 30.46 3m82 s ARG 68 CO 0.36 -0.57 -0.04 0.42 -0.68 0.00 0.00 175.30 174.79 3m82 s ILE 69 N 2.75 3.97 0.50 1.52 -1.09 0.31 -4.85 121.20 124.31 3m82 s ILE 69 Ca 0.30 -0.37 -0.04 0.00 -2.23 0.00 0.00 60.65 58.31 3m82 s ILE 69 Cb -0.15 -2.66 -0.02 0.00 -1.58 0.00 0.00 42.46 38.05 3m82 s ILE 69 CO 0.11 0.58 0.79 -0.54 -1.23 0.00 0.00 174.94 174.64 3m82 s LYS 70 N -0.56 3.25 0.22 2.79 -0.14 -1.26 -2.05 119.74 121.99 3m82 s LYS 70 Ca 0.09 -0.02 -0.21 0.00 -1.36 0.00 0.00 55.97 54.47 3m82 s LYS 70 Cb -0.12 -2.39 0.07 0.00 -1.68 0.00 0.00 37.83 33.71 3m82 s LYS 70 CO 0.02 -0.35 1.00 0.20 -0.76 0.00 0.00 175.35 175.46 3m82 s GLY 71 N -4.19 0.19 0.11 -3.33 0.00 -0.43 -2.17 107.32 97.51 3m82 s GLY 71 Ca 0.49 -0.45 0.09 0.00 0.00 0.00 0.00 44.72 44.85 3m82 s GLY 71 CO 0.43 2.23 -0.24 -0.98 0.00 0.00 0.00 173.10 174.54 3m82 s TRP 72 N -2.09 2.04 -0.13 1.90 0.52 -0.57 -1.42 118.94 119.18 3m82 s TRP 72 Ca 0.22 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.96 3m82 s TRP 72 Cb -0.03 -1.12 0.01 0.00 -1.15 0.00 0.00 33.47 31.19 3m82 s TRP 72 CO 0.07 0.26 -0.18 -1.17 0.02 0.00 0.00 176.95 175.94 3m82 s LEU 73 N -1.95 1.92 -0.23 2.99 2.96 -0.52 -1.00 118.68 122.85 3m82 s LEU 73 Ca 0.10 -0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 53.46 3m82 s LEU 73 Cb -0.10 -1.28 0.01 0.00 0.50 0.00 0.00 46.19 45.32 3m82 s LEU 73 CO 0.05 0.04 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.28 3m82 s LEU 74 N 0.97 2.92 -0.28 -0.68 1.43 -0.18 -0.78 118.68 122.08 3m82 s LEU 74 Ca -0.05 -0.68 -0.04 0.00 -1.03 0.00 0.00 54.13 52.33 3m82 s LEU 74 Cb -0.15 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.43 3m82 s LEU 74 CO -0.03 -0.07 0.01 -0.69 0.23 0.00 0.00 176.35 175.80 3m82 s VAL 75 N 1.37 3.39 0.34 -1.59 1.01 -0.05 -0.93 120.40 123.95 3m82 s VAL 75 Ca 0.03 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 60.80 3m82 s VAL 75 Cb -0.15 -2.76 -0.10 0.00 0.00 0.00 0.00 36.38 33.36 3m82 s VAL 75 CO -0.05 0.10 1.31 -2.16 0.00 0.00 0.00 175.10 174.29 3m82 s PRO 76 N 1.39 4.31 -0.95 2.72 0.04 -1.26 0.42 135.00 141.67 3m82 s PRO 76 Ca 0.01 2.21 -0.24 0.00 0.04 0.00 0.00 61.00 63.02 3m82 s PRO 76 Cb -0.17 -3.03 0.02 0.00 0.04 0.00 0.00 34.50 31.35 3m82 s PRO 76 CO -0.01 -0.23 1.61 0.15 0.04 0.00 0.00 177.00 178.56 3m82 s LYS 77 N -1.86 3.21 0.08 4.56 1.02 -0.24 -4.85 119.74 121.65 3m82 s LYS 77 Ca 0.50 -0.74 0.04 0.00 0.02 0.00 0.00 55.97 55.79 3m82 s LYS 77 Cb -0.40 -5.15 -0.03 0.00 -0.52 0.00 0.00 37.83 31.73 3m82 s LYS 77 CO 0.52 -2.59 -0.12 -0.51 -0.92 0.00 0.00 175.35 171.73 3m82 s LEU 78 N 6.77 2.31 0.27 3.17 1.43 -1.26 -5.00 118.68 126.38 3m82 s LEU 78 Ca 0.54 -0.66 0.25 0.00 -1.03 0.00 0.00 54.13 53.22 3m82 s LEU 78 Cb -0.03 -0.41 0.52 0.00 0.03 0.00 0.00 46.19 46.31 3m82 s LEU 78 CO -0.04 -0.15 1.60 -0.33 0.23 0.00 0.00 176.35 177.66 3m82 h GLU 79 N 4.10 0.00 -6.29 1.70 3.07 -2.03 -3.45 114.58 111.68 3m82 h GLU 79 Ca -0.39 0.00 -0.66 0.00 -0.50 0.00 0.00 59.36 57.81 3m82 h GLU 79 Cb 1.19 0.00 0.07 0.00 -0.84 0.00 0.00 28.75 29.17 3m82 h GLU 79 CO 0.44 0.00 0.31 -1.91 -1.40 0.00 0.00 179.01 176.45 3m82 n GLU 80 N -2.55 1.10 0.11 2.33 2.13 -1.26 -4.84 120.64 117.66 3m82 n GLU 80 Ca 0.04 0.39 0.03 0.00 0.66 0.00 0.00 57.16 58.29 3m82 n GLU 80 Cb 0.47 -1.93 0.00 0.00 0.27 0.00 0.00 31.44 30.26 3m82 n GLU 80 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3m82 h GLU 81 N 3.72 0.00 -5.04 5.31 3.07 -1.94 -3.43 114.58 116.27 3m82 h GLU 81 Ca -0.45 0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 57.78 3m82 h GLU 81 Cb 1.35 0.00 -0.34 0.00 -0.84 0.00 0.00 28.75 28.92 3m82 h GLU 81 CO 0.72 0.36 -0.86 0.15 -1.40 0.00 0.00 179.01 177.99 3m82 s LYS 82 N -3.00 2.65 0.15 2.33 -0.14 -1.26 -4.55 119.74 115.91 3m82 s LYS 82 Ca 0.02 -0.73 0.09 0.00 -1.36 0.00 0.00 55.97 54.00 3m82 s LYS 82 Cb 0.08 -2.12 -0.04 0.00 -1.68 0.00 0.00 37.83 34.07 3m82 s LYS 82 CO 0.76 0.04 -0.16 -0.51 -0.76 0.00 0.00 175.35 174.72 3m82 s LEU 83 N 0.70 2.75 0.76 3.17 1.43 0.10 -4.76 118.68 122.84 3m82 s LEU 83 Ca -0.11 -0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 52.27 3m82 s LEU 83 Cb -0.16 -1.53 0.05 0.00 0.03 0.00 0.00 46.19 44.58 3m82 s LEU 83 CO 0.02 0.14 1.08 -2.16 0.23 0.00 0.00 176.35 175.67 3m82 s PRO 84 N -2.45 2.37 -0.02 1.29 0.04 -1.26 -0.21 135.00 134.76 3m82 s PRO 84 Ca 0.21 1.04 0.01 0.00 0.04 0.00 0.00 61.00 62.30 3m82 s PRO 84 Cb -0.10 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.54 3m82 s PRO 84 CO 0.12 -1.53 -0.01 0.00 0.04 0.00 0.00 177.00 175.62 3m82 s VAL 86 N 0.48 3.72 -0.37 0.00 1.01 0.13 -0.44 120.40 124.93 3m82 s VAL 86 Ca -0.05 -0.38 -0.19 0.00 0.00 0.00 0.00 61.98 61.36 3m82 s VAL 86 Cb -0.07 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.62 3m82 s VAL 86 CO -0.01 0.42 0.56 -0.69 0.00 0.00 0.00 175.10 175.38 3m82 s VAL 87 N 1.25 4.96 -0.23 2.92 1.01 0.66 -0.62 120.40 130.35 3m82 s VAL 87 Ca 0.03 0.33 -0.07 0.00 0.00 0.00 0.00 61.98 62.28 3m82 s VAL 87 Cb -0.15 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 3m82 s VAL 87 CO 0.00 -0.31 0.04 -1.58 0.00 0.00 0.00 175.10 173.25 3m82 s GLN 88 N 2.53 3.65 0.13 2.72 2.00 0.11 -0.60 119.66 130.20 3m82 s GLN 88 Ca 0.20 -0.49 0.04 0.00 -2.00 0.00 0.00 55.36 53.12 3m82 s GLN 88 Cb -0.15 -3.23 -0.04 0.00 0.80 0.00 0.00 33.01 30.39 3m82 s GLN 88 CO 0.15 -0.10 0.14 0.71 -0.50 0.00 0.00 175.29 175.68 3m82 s TYR 89 N 1.36 3.22 0.04 1.67 2.02 -0.17 -1.84 117.35 123.66 3m82 s TYR 89 Ca 0.05 0.04 0.05 0.00 -0.37 0.00 0.00 57.07 56.84 3m82 s TYR 89 Cb -0.15 -1.58 -0.04 0.00 -0.40 0.00 0.00 41.96 39.80 3m82 s TYR 89 CO 0.03 0.52 -0.09 0.42 -1.57 0.00 0.00 175.55 174.86 3m82 s ILE 90 N -1.62 3.43 0.84 2.71 1.01 -1.26 -4.46 121.20 121.85 3m82 s ILE 90 Ca 0.31 -1.00 -0.11 0.00 0.00 0.00 0.00 60.65 59.84 3m82 s ILE 90 Cb -0.11 -2.53 0.10 0.00 0.01 0.00 0.00 42.46 39.93 3m82 s ILE 90 CO 0.24 0.29 1.09 -0.83 0.00 0.00 0.00 174.94 175.73 3m82 s GLY 91 N -1.70 1.62 0.25 6.18 0.00 -1.26 -3.31 107.32 109.10 3m82 s GLY 91 Ca 0.18 -0.10 -0.31 0.00 0.00 0.00 0.00 44.72 44.50 3m82 s GLY 91 CO 0.10 0.35 1.27 2.98 0.00 0.00 0.00 173.10 177.80 3m82 n TYR 92 N -3.66 1.84 -1.09 1.90 9.36 -1.26 -1.30 117.16 122.94 3m82 n TYR 92 Ca 0.07 0.55 -0.03 0.00 3.32 0.00 0.00 57.90 61.81 3m82 n TYR 92 Cb 0.55 -2.38 -0.01 0.00 -0.63 0.00 0.00 39.34 36.87 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 1.77 -4.64 -4.95 2.98 3.02 -1.26 -4.85 115.26 107.33 3m82 n ASN 93 Ca 0.11 0.08 -0.20 0.00 -0.03 0.00 0.00 54.58 54.54 3m82 n ASN 93 Cb 0.31 -2.42 0.00 0.00 -0.61 0.00 0.00 39.78 37.06 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 -2.24 2.03 0.00 7.41 0.00 -0.42 -0.58 107.32 113.53 3m82 s GLY 94 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.93 3m82 s GLY 94 CO 0.00 -1.68 0.00 0.61 0.00 0.00 0.00 173.10 172.03 3m82 n GLY 95 N -1.82 3.19 0.12 0.20 0.00 -0.68 -1.59 105.19 104.61 3m82 n GLY 95 Ca 0.07 -1.25 0.12 0.00 0.00 0.00 0.00 46.02 44.96 3m82 n GLY 95 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3m82 n ARG 96 N 0.00 0.20 0.00 1.61 1.85 -1.16 -4.72 116.66 114.45 3m82 n ARG 96 Ca 0.00 0.38 0.00 0.00 -1.00 0.00 0.00 57.85 57.23 3m82 n ARG 96 Cb 0.00 -1.85 0.00 0.00 -1.05 0.00 0.00 32.46 29.56 3m82 n ARG 96 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3m82 n GLY 97 N 0.25 2.75 3.81 2.89 0.00 -0.15 -4.62 105.19 110.13 3m82 n GLY 97 Ca 0.03 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 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 3.15 0.37 1.61 0.08 -1.26 -4.97 117.98 116.96 3m82 s PHE 98 Ca 0.00 -0.05 0.12 0.00 0.12 0.00 0.00 56.93 57.12 3m82 s PHE 98 Cb 0.00 -1.48 0.91 0.00 -0.57 0.00 0.00 43.02 41.88 3m82 s PHE 98 CO 0.00 0.52 1.85 -1.35 -0.10 0.00 0.00 175.22 176.13 3m82 h PRO 99 N 2.06 0.57 0.00 0.24 0.11 -1.99 -1.75 132.00 131.24 3m82 h PRO 99 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3m82 h PRO 99 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3m82 h PRO 99 CO 0.62 0.38 0.00 -2.39 -0.21 0.00 0.00 178.00 176.40 3m82 n HIS 100 N -4.58 0.00 1.51 0.65 1.44 -1.26 -2.52 115.22 110.47 3m82 n HIS 100 Ca 0.19 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 56.05 3m82 n HIS 100 Cb 0.58 -0.14 0.76 0.00 0.12 0.00 0.00 29.99 31.31 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 -1.14 0.10 -2.58 4.39 8.00 -0.66 -4.29 116.55 120.39 3m82 n ASP 101 Ca 0.10 -0.37 -0.11 0.00 0.71 0.00 0.00 54.79 55.12 3m82 n ASP 101 Cb 0.09 -0.20 0.03 0.00 -0.02 0.00 0.00 41.12 41.03 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 -1.17 1.84 0.92 1.24 7.02 -1.05 -4.90 117.44 121.35 3m82 n TRP 102 Ca 0.16 -2.48 0.13 0.00 -1.02 0.00 0.00 57.50 54.29 3m82 n TRP 102 Cb 0.23 -0.27 0.49 0.00 -2.42 0.00 0.00 31.31 29.34 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 -0.46 0.26 0.42 -0.99 4.77 -1.26 -4.38 117.00 115.35 3m82 n LEU 103 Ca 0.20 0.40 -0.18 0.00 -0.03 0.00 0.00 56.01 56.40 3m82 n LEU 103 Cb 0.82 -0.41 -0.09 0.00 -2.33 0.00 0.00 43.42 41.41 3m82 n LEU 103 CO 0.23 -0.01 0.53 0.15 -1.33 0.00 0.00 177.39 176.96 3m82 h PHE 104 N 0.00 -1.20 -0.04 -1.77 3.57 -1.95 -2.15 116.94 113.40 3m82 h PHE 104 Ca 0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 3m82 h PHE 104 Cb 0.55 0.42 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 3m82 h PHE 104 CO 0.00 -0.68 0.01 -1.49 -2.23 0.00 0.00 178.31 173.92 3m82 h TRP 105 N -1.14 0.07 -0.82 0.41 4.06 -1.88 -2.16 115.95 114.49 3m82 h TRP 105 Ca -0.10 -0.01 0.19 0.00 2.06 0.00 0.00 58.89 61.03 3m82 h TRP 105 Cb 0.90 -0.02 -0.12 0.00 -1.00 0.00 0.00 29.16 28.92 3m82 h TRP 105 CO -0.07 0.25 0.28 -1.35 -3.56 0.00 0.00 178.44 173.99 3m82 h PRO 106 N -0.13 0.32 0.00 0.49 0.11 -1.52 -0.59 132.00 130.68 3m82 h PRO 106 Ca 0.01 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3m82 h PRO 106 Cb 0.21 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 3m82 h PRO 106 CO -0.00 0.21 -0.09 0.77 -0.21 0.00 0.00 178.00 178.68 3m82 h SER 107 N 0.33 0.00 -0.41 -2.05 0.02 -0.88 -1.36 113.55 109.20 3m82 h SER 107 Ca 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 3m82 h SER 107 Cb 0.89 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.43 3m82 h SER 107 CO -0.53 0.09 0.00 0.23 -1.14 0.00 0.00 176.83 175.48 3m82 n MET 108 N -3.81 2.06 -0.78 3.45 2.81 -0.33 -4.92 117.12 115.61 3m82 n MET 108 Ca -0.02 -1.52 0.00 0.00 -1.81 0.00 0.00 57.70 54.35 3m82 n MET 108 Cb 0.19 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 1.09 0.54 3.56 3.03 0.00 -0.51 -5.06 105.19 107.83 3m82 n GLY 109 Ca 0.14 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 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 2.97 0.43 1.61 1.51 -0.58 -4.41 117.35 116.88 3m82 s TYR 110 Ca 0.00 -0.08 -0.26 0.00 -1.01 0.00 0.00 57.07 55.72 3m82 s TYR 110 Cb 0.00 -1.79 -0.09 0.00 -0.11 0.00 0.00 41.96 39.98 3m82 s TYR 110 CO 0.00 0.22 1.40 0.42 -1.11 0.00 0.00 175.55 176.49 3m82 s ILE 111 N -0.47 2.21 -0.13 2.71 1.01 0.56 -2.15 121.20 124.95 3m82 s ILE 111 Ca 0.07 0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.92 3m82 s ILE 111 Cb -0.12 -3.11 0.02 0.00 0.01 0.00 0.00 42.46 39.25 3m82 s ILE 111 CO 0.02 0.03 -0.14 0.00 0.00 0.00 0.00 174.94 174.85 3m82 s PHE 113 N 1.28 3.28 -0.31 0.00 2.19 0.21 -1.02 117.98 123.60 3m82 s PHE 113 Ca 0.00 -1.26 -0.16 0.00 0.33 0.00 0.00 56.93 55.85 3m82 s PHE 113 Cb -0.14 -2.55 -0.02 0.00 -1.31 0.00 0.00 43.02 39.00 3m82 s PHE 113 CO -0.07 -0.73 0.41 0.08 1.83 0.00 0.00 175.22 176.74 3m82 s VAL 114 N 1.48 5.13 -0.25 3.12 1.01 -0.17 0.08 120.40 130.80 3m82 s VAL 114 Ca 0.01 0.33 -0.16 0.00 0.00 0.00 0.00 61.98 62.16 3m82 s VAL 114 Cb -0.20 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 3m82 s VAL 114 CO 0.04 -0.02 0.43 -0.32 0.00 0.00 0.00 175.10 175.22 3m82 s MET 115 N 2.13 4.06 0.42 2.72 1.75 -0.76 -1.51 119.30 128.11 3m82 s MET 115 Ca 0.15 0.17 -0.26 0.00 -1.25 0.00 0.00 55.69 54.50 3m82 s MET 115 Cb -0.16 -3.63 -0.09 0.00 2.84 0.00 0.00 34.83 33.79 3m82 s MET 115 CO 0.11 -0.26 1.37 0.34 -0.65 0.00 0.00 175.02 175.94 3m82 s ASP 116 N 1.49 6.14 -0.39 1.11 2.15 -0.92 -4.40 116.67 121.85 3m82 s ASP 116 Ca 0.18 2.81 -0.15 0.00 0.43 0.00 0.00 52.55 55.81 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 -0.98 0.35 -0.89 -0.17 0.00 0.00 175.17 173.57 3m82 s THR 117 N -1.22 5.19 -0.43 1.71 2.01 -1.26 -4.79 115.64 116.85 3m82 s THR 117 Ca 0.58 -0.33 -0.44 0.00 0.31 0.00 0.00 61.69 61.80 3m82 s THR 117 Cb -0.41 -3.91 -0.18 0.00 0.01 0.00 0.00 72.50 68.01 3m82 s THR 117 CO 0.54 -0.25 1.69 -2.11 -0.69 0.00 0.00 174.62 173.79 3m82 n ARG 118 N 5.34 0.40 -0.47 4.92 1.85 -1.26 -2.40 116.66 125.04 3m82 n ARG 118 Ca -0.10 0.15 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 3m82 n ARG 118 Cb 0.48 -1.72 0.00 0.00 -1.05 0.00 0.00 32.46 30.17 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 4.29 1.62 0.00 2.89 0.00 0.56 -4.56 105.19 110.00 3m82 n GLY 119 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.95 1.61 6.02 -1.01 -4.90 117.38 114.15 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 -0.62 -4.70 105.19 105.43 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 -2.36 0.00 -0.09 1.61 7.64 -1.19 -0.95 113.62 118.27 3m82 n SER 122 Ca -0.12 -1.00 -0.14 0.00 1.01 0.00 0.00 58.87 58.62 3m82 n SER 122 Cb 0.62 0.00 -0.05 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 0.00 -0.46 0.00 0.23 0.00 0.26 -4.91 105.19 100.31 3m82 n GLY 123 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.29 0.00 -3.70 1.61 4.27 -1.02 -5.04 117.44 109.28 3m82 n TRP 124 Ca -0.24 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.26 3m82 n TRP 124 Cb 0.59 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.44 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 -1.00 -0.09 0.64 5.67 2.96 -1.26 -5.03 118.68 120.56 3m82 s LEU 125 Ca 0.00 0.93 -0.18 0.00 -0.22 0.00 0.00 54.13 54.66 3m82 s LEU 125 Cb 0.00 1.42 -0.01 0.00 0.50 0.00 0.00 46.19 48.10 3m82 s LEU 125 CO 0.00 -0.19 1.23 -1.59 -1.32 0.00 0.00 176.35 174.48 3m82 s LYS 126 N 1.28 2.69 0.19 1.98 -2.85 -1.26 -1.69 119.74 120.08 3m82 s LYS 126 Ca -0.08 1.89 0.04 0.00 -1.00 0.00 0.00 55.97 56.81 3m82 s LYS 126 Cb -0.08 -1.89 -0.05 0.00 -2.06 0.00 0.00 37.83 33.76 3m82 s LYS 126 CO -0.12 -1.44 -0.04 0.20 0.10 0.00 0.00 175.35 174.06 3m82 s GLY 127 N -1.62 1.33 0.00 0.59 0.00 -0.13 -0.98 107.32 106.52 3m82 s GLY 127 Ca 0.78 -1.64 0.00 0.00 0.00 0.00 0.00 44.72 43.86 3m82 s GLY 127 CO 0.37 -1.62 0.38 1.22 0.00 0.00 0.00 173.10 173.46 3m82 n ASP 128 N -0.31 0.61 -4.47 1.64 8.00 -1.26 -4.89 116.55 115.87 3m82 n ASP 128 Ca -0.07 -1.14 -0.34 0.00 0.71 0.00 0.00 54.79 53.95 3m82 n ASP 128 Cb 0.63 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.60 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 -0.14 3.93 0.71 -3.53 2.01 -1.26 -4.92 115.64 112.44 3m82 s THR 129 Ca 0.00 -0.33 -0.10 0.00 0.31 0.00 0.00 61.69 61.56 3m82 s THR 129 Cb 0.00 -2.75 0.03 0.00 0.01 0.00 0.00 72.50 69.79 3m82 s THR 129 CO 0.00 0.46 1.08 -2.16 -0.69 0.00 0.00 174.62 173.31 3m82 s PRO 130 N 0.68 2.68 0.41 4.92 0.04 -1.26 -0.33 135.00 142.15 3m82 s PRO 130 Ca -0.01 0.29 -0.04 0.00 0.04 0.00 0.00 61.00 61.29 3m82 s PRO 130 Cb -0.14 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 3m82 s PRO 130 CO 0.02 -1.09 0.68 0.34 0.04 0.00 0.00 177.00 177.00 3m82 s ASP 131 N -4.40 6.31 -0.25 6.66 2.15 -1.26 -3.96 116.67 121.92 3m82 s ASP 131 Ca 0.58 0.77 -0.03 0.00 0.43 0.00 0.00 52.55 54.29 3m82 s ASP 131 Cb -0.11 -2.17 0.08 0.00 -0.30 0.00 0.00 42.92 40.42 3m82 s ASP 131 CO 0.50 -0.44 0.10 -0.31 -0.17 0.00 0.00 175.17 174.85 3m82 s TYR 132 N -2.51 0.68 0.74 -5.34 1.51 -1.26 -4.94 117.35 106.22 3m82 s TYR 132 Ca 0.45 -0.91 -0.11 0.00 -1.01 0.00 0.00 57.07 55.49 3m82 s TYR 132 Cb -0.10 -1.03 0.03 0.00 -0.11 0.00 0.00 41.96 40.75 3m82 s TYR 132 CO 0.40 -0.73 1.07 -1.25 -1.11 0.00 0.00 175.55 173.93 3m82 s PRO 133 N 1.98 2.59 -1.14 -1.71 0.04 -1.26 -4.94 135.00 130.55 3m82 s PRO 133 Ca 0.06 1.01 -0.21 0.00 0.04 0.00 0.00 61.00 61.91 3m82 s PRO 133 Cb -0.16 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 3m82 s PRO 133 CO -0.23 -1.36 1.92 0.39 0.04 0.00 0.00 177.00 177.75 3m82 n GLU 134 N -3.32 2.06 0.00 4.56 -0.58 -1.26 -4.90 120.64 117.20 3m82 n GLU 134 Ca 0.08 -2.52 0.00 0.00 -0.42 0.00 0.00 57.16 54.30 3m82 n GLU 134 Cb 0.53 -3.44 0.00 0.00 -0.57 0.00 0.00 31.44 27.96 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 1.11 3.72 0.62 0.00 -1.26 -4.82 105.19 109.79 3m82 n GLY 135 Ca 0.48 0.37 -0.42 0.00 0.00 0.00 0.00 46.02 46.45 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 4.51 -0.81 1.61 0.04 -1.26 -5.00 135.00 134.10 3m82 s PRO 136 Ca 0.00 1.69 -0.18 0.00 0.04 0.00 0.00 61.00 62.55 3m82 s PRO 136 Cb 0.00 -3.34 0.14 0.00 0.04 0.00 0.00 34.50 31.34 3m82 s PRO 136 CO 0.00 -0.10 0.94 0.08 0.04 0.00 0.00 177.00 177.96 3m82 s VAL 137 N 0.56 4.92 0.93 -0.36 1.01 -1.26 -5.01 120.40 121.18 3m82 s VAL 137 Ca 0.54 -1.56 -0.12 0.00 0.00 0.00 0.00 61.98 60.84 3m82 s VAL 137 Cb -0.28 -4.64 0.07 0.00 0.00 0.00 0.00 36.38 31.53 3m82 s VAL 137 CO 0.31 -1.31 0.68 0.47 0.00 0.00 0.00 175.10 175.25 3m82 n ASP 138 N 6.00 -1.16 -4.56 3.32 9.92 -1.26 -4.88 116.55 123.93 3m82 n ASP 138 Ca 0.12 0.37 -0.56 0.00 -0.53 0.00 0.00 54.79 54.19 3m82 n ASP 138 Cb 0.47 -1.31 -0.07 0.00 -0.64 0.00 0.00 41.12 39.57 3m82 n ASP 138 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 3m82 n PRO 139 N -2.59 0.55 -3.82 -0.24 -0.02 -1.26 -4.80 135.00 122.82 3m82 n PRO 139 Ca 0.09 0.20 -0.09 0.00 -2.02 0.00 0.00 63.50 61.67 3m82 n PRO 139 Cb 0.53 -1.77 -0.07 0.00 -0.02 0.00 0.00 33.50 32.17 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 0.53 0.93 0.23 -0.52 -2.07 -1.26 -4.90 119.66 112.61 3m82 s GLN 140 Ca 0.89 -0.93 -0.28 0.00 -1.82 0.00 0.00 55.36 53.23 3m82 s GLN 140 Cb -1.14 0.38 -0.09 0.00 -1.09 0.00 0.00 33.01 31.07 3m82 s GLN 140 CO 0.54 -0.32 0.89 -0.47 -1.32 0.00 0.00 175.29 174.61 3m82 s TYR 141 N -3.86 3.92 -0.13 9.60 5.04 -1.26 -4.99 117.35 125.68 3m82 s TYR 141 Ca 0.06 1.81 -0.42 0.00 -2.44 0.00 0.00 57.07 56.08 3m82 s TYR 141 Cb 0.04 -2.91 -0.20 0.00 0.35 0.00 0.00 41.96 39.24 3m82 s TYR 141 CO -0.10 0.44 1.22 -2.30 -1.34 0.00 0.00 175.55 173.47 3m82 n PRO 142 N 1.38 0.04 0.00 4.97 -0.02 -1.26 -4.68 135.00 135.42 3m82 n PRO 142 Ca -0.02 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3m82 n PRO 142 Cb 0.48 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 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 2.18 0.37 0.00 -1.23 0.00 -1.26 -4.89 105.19 100.36 3m82 n GLY 143 Ca 0.23 -2.27 0.06 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 0.72 0.00 0.20 1.61 3.72 -1.26 -4.51 117.46 117.94 3m82 n PHE 144 Ca 0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.45 3m82 n PHE 144 Cb 0.00 -0.20 0.43 0.00 -0.94 0.00 0.00 39.48 38.77 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 0.00 -0.22 -1.08 2.86 -1.90 -3.10 114.93 111.49 3m82 h MET 145 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3m82 h MET 145 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 3m82 h MET 145 CO 0.00 0.32 0.00 0.25 1.06 0.00 0.00 176.91 178.54 3m82 n THR 146 N -3.86 0.91 -2.30 2.22 -2.24 -1.26 -4.86 114.28 102.88 3m82 n THR 146 Ca -0.01 -0.95 -0.41 0.00 -2.27 0.00 0.00 64.05 60.40 3m82 n THR 146 Cb 0.40 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 69.16 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 -0.97 3.20 -0.02 -0.78 3.52 -1.17 -2.82 118.95 119.91 3m82 s ARG 147 Ca 0.15 0.56 0.00 0.00 -0.13 0.00 0.00 55.73 56.31 3m82 s ARG 147 Cb 0.08 -4.17 0.00 0.00 -1.56 0.00 0.00 34.95 29.30 3m82 s ARG 147 CO 0.11 -2.05 0.00 0.41 -0.81 0.00 0.00 175.30 172.95 3m82 n GLY 148 N 5.34 0.43 0.08 8.12 0.00 -1.26 -1.16 105.19 116.74 3m82 n GLY 148 Ca 0.14 -0.73 0.08 0.00 0.00 0.00 0.00 46.02 45.51 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 1.21 1.63 -0.61 3.06 -1.13 -2.61 119.36 117.92 3m82 n ILE 149 Ca -0.00 0.43 0.15 0.00 -2.50 0.00 0.00 62.75 60.83 3m82 n ILE 149 Cb 0.01 -1.36 0.78 0.00 0.54 0.00 0.00 39.64 39.61 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 -1.89 0.21 -3.66 9.51 4.77 -1.26 -4.61 117.00 120.06 3m82 n LEU 150 Ca 0.01 0.07 -0.07 0.00 -0.03 0.00 0.00 56.01 55.98 3m82 n LEU 150 Cb 0.11 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 40.97 3m82 n LEU 150 CO 0.11 0.04 0.18 -0.62 -1.33 0.00 0.00 177.39 175.76 3m82 s ASP 151 N -2.31 -0.71 0.58 -1.43 -1.08 -1.07 -4.96 116.67 105.68 3m82 s ASP 151 Ca 0.36 1.22 0.28 0.00 -0.52 0.00 0.00 52.55 53.89 3m82 s ASP 151 Cb 0.21 1.32 1.54 0.00 -1.46 0.00 0.00 42.92 44.53 3m82 s ASP 151 CO 0.42 -0.22 2.02 1.55 0.52 0.00 0.00 175.17 179.47 3m82 h PRO 152 N 7.42 0.00 0.00 4.34 0.13 -1.83 -1.94 132.00 140.11 3m82 h PRO 152 Ca -0.28 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.75 3m82 h PRO 152 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3m82 h PRO 152 CO 0.19 0.00 -0.49 0.00 -0.23 0.00 0.00 178.00 177.47 3m82 h ARG 153 N 0.00 0.00 -0.01 0.86 3.08 -1.96 -3.08 114.38 113.27 3m82 h ARG 153 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3m82 h ARG 153 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 3m82 h ARG 153 CO -0.00 0.49 -0.59 0.25 -1.07 0.00 0.00 179.97 179.05 3m82 n THR 154 N -3.62 0.00 -2.18 2.04 -2.24 -0.78 -4.95 114.28 102.55 3m82 n THR 154 Ca -0.00 -0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 3m82 n THR 154 Cb 0.57 0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 69.50 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 -2.77 3.21 0.26 4.78 5.04 -0.90 -4.35 117.35 122.63 3m82 s TYR 155 Ca 0.15 1.19 -0.03 0.00 -2.44 0.00 0.00 57.07 55.95 3m82 s TYR 155 Cb 0.18 -3.64 0.55 0.00 0.35 0.00 0.00 41.96 39.40 3m82 s TYR 155 CO 0.68 -2.00 1.66 -0.92 -1.34 0.00 0.00 175.55 173.63 3m82 h TYR 156 N 5.26 0.26 0.00 4.97 3.20 -1.43 -1.22 116.97 128.02 3m82 h TYR 156 Ca -0.45 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.47 3m82 h TYR 156 Cb 1.22 0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.50 3m82 h TYR 156 CO 0.61 -0.15 0.00 0.66 -1.64 0.00 0.00 178.16 177.64 3m82 n TYR 157 N -5.21 0.68 -0.19 -3.82 4.01 -1.26 -2.08 117.16 109.29 3m82 n TYR 157 Ca 0.17 0.22 -0.07 0.00 -0.16 0.00 0.00 57.90 58.06 3m82 n TYR 157 Cb 0.55 -0.86 0.02 0.00 -0.31 0.00 0.00 39.34 38.74 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 0.73 -0.32 -0.72 2.43 -1.52 0.15 114.38 115.13 3m82 h ARG 158 Ca 0.00 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 58.93 3m82 h ARG 158 Cb 0.54 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3m82 h ARG 158 CO 0.00 0.52 -0.48 0.00 -1.51 0.00 0.00 179.97 178.50 3m82 h ARG 159 N 0.73 0.89 -0.30 0.20 3.08 -1.52 -2.50 114.38 114.96 3m82 h ARG 159 Ca 0.19 -0.52 -0.04 0.00 0.07 0.00 0.00 59.98 59.68 3m82 h ARG 159 Cb -0.02 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3m82 h ARG 159 CO -0.04 1.16 0.04 0.28 -1.07 0.00 0.00 179.97 180.34 3m82 h VAL 160 N 0.70 1.24 -0.38 2.04 2.07 -1.37 -0.61 116.25 119.94 3m82 h VAL 160 Ca 0.03 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 3m82 h VAL 160 Cb 1.08 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 3m82 h VAL 160 CO 0.11 0.27 -0.03 -0.26 0.02 0.00 0.00 177.57 177.68 3m82 h PHE 161 N 0.32 0.66 -0.16 1.57 0.04 -0.99 -1.31 116.94 117.07 3m82 h PHE 161 Ca 0.09 -0.09 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 3m82 h PHE 161 Cb 0.37 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.33 3m82 h PHE 161 CO 0.03 0.65 -0.19 1.15 -0.60 0.00 0.00 178.31 179.35 3m82 h THR 162 N 0.59 1.35 -0.91 -1.55 2.02 -1.25 -1.83 112.91 111.33 3m82 h THR 162 Ca 0.12 -1.38 0.20 0.00 0.77 0.00 0.00 66.41 66.11 3m82 h THR 162 Cb 0.42 1.89 -0.11 0.00 -1.74 0.00 0.00 68.15 68.61 3m82 h THR 162 CO 0.02 0.41 0.47 0.44 0.37 0.00 0.00 175.52 177.23 3m82 h ASP 163 N 0.04 0.51 -0.05 4.18 3.32 -0.85 -2.00 116.42 121.57 3m82 h ASP 163 Ca 0.02 0.12 -0.17 0.00 0.02 0.00 0.00 57.03 57.03 3m82 h ASP 163 Cb 0.74 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 3m82 h ASP 163 CO 0.05 0.12 -0.54 0.00 -1.72 0.00 0.00 179.24 177.14 3m82 h ALA 164 N 1.66 0.64 -0.35 3.45 0.00 -0.79 -0.51 119.26 123.35 3m82 h ALA 164 Ca 0.55 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3m82 h ALA 164 Cb 0.94 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3m82 h ALA 164 CO -0.45 0.69 -0.21 0.28 0.00 0.00 0.00 179.25 179.56 3m82 h VAL 165 N 0.49 1.29 -0.07 0.00 2.07 -1.16 -3.12 116.25 115.75 3m82 h VAL 165 Ca 0.01 -1.35 -0.06 0.00 0.82 0.00 0.00 66.70 66.13 3m82 h VAL 165 Cb 1.10 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 3m82 h VAL 165 CO 0.11 0.44 -0.23 0.03 0.02 0.00 0.00 177.57 177.94 3m82 h ARG 166 N 0.54 0.11 -0.23 1.57 2.47 -1.16 -2.84 114.38 114.85 3m82 h ARG 166 Ca 0.07 -0.03 -0.05 0.00 -1.26 0.00 0.00 59.98 58.71 3m82 h ARG 166 Cb 0.76 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.06 3m82 h ARG 166 CO 0.06 0.34 -0.08 0.00 0.56 0.00 0.00 179.97 180.86 3m82 h ALA 167 N 1.66 1.45 -0.24 0.04 0.00 -1.03 -0.07 119.26 121.07 3m82 h ALA 167 Ca 0.02 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 3m82 h ALA 167 Cb 0.47 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3m82 h ALA 167 CO 0.03 0.38 -0.43 0.28 0.00 0.00 0.00 179.25 179.52 3m82 h VAL 168 N 0.34 1.30 -0.62 0.00 2.07 -1.51 -0.88 116.25 116.95 3m82 h VAL 168 Ca 0.07 -1.60 -0.09 0.00 0.82 0.00 0.00 66.70 65.89 3m82 h VAL 168 Cb 0.35 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 3m82 h VAL 168 CO 0.02 0.51 0.02 -0.33 0.02 0.00 0.00 177.57 177.80 3m82 h GLU 169 N 0.48 1.08 0.10 1.57 4.39 -1.43 -1.21 114.58 119.56 3m82 h GLU 169 Ca 0.04 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.40 3m82 h GLU 169 Cb 0.94 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 3m82 h GLU 169 CO 0.08 1.04 -0.05 0.00 -1.16 0.00 0.00 179.01 178.92 3m82 h ALA 170 N 1.02 -0.14 -0.48 3.43 0.00 -0.92 -2.61 119.26 119.55 3m82 h ALA 170 Ca 0.18 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3m82 h ALA 170 Cb 0.54 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 3m82 h ALA 170 CO 0.03 -0.54 0.17 0.00 0.00 0.00 0.00 179.25 178.91 3m82 h ALA 171 N 0.67 0.58 0.00 0.00 0.00 -1.06 -2.06 119.26 117.40 3m82 h ALA 171 Ca -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3m82 h ALA 171 Cb 0.18 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3m82 h ALA 171 CO 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 179.25 179.01 3m82 h ALA 172 N 1.33 1.20 0.00 0.00 0.00 -1.18 -1.41 119.26 119.20 3m82 h ALA 172 Ca 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3m82 h ALA 172 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3m82 h ALA 172 CO -0.24 0.04 0.00 0.66 0.00 0.00 0.00 179.25 179.71 3m82 h SER 173 N 0.00 0.00 -3.10 0.00 4.64 -0.97 -3.45 113.55 110.67 3m82 h SER 173 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.78 3m82 h SER 173 Cb 0.16 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.26 3m82 h SER 173 CO 0.00 0.00 0.65 0.12 -0.87 0.00 0.00 176.83 176.73 3m82 s PHE 174 N -3.27 3.30 0.25 4.77 5.36 -0.53 -4.93 117.98 122.93 3m82 s PHE 174 Ca 0.07 1.14 -0.04 0.00 -0.96 0.00 0.00 56.93 57.14 3m82 s PHE 174 Cb 0.09 -3.52 0.38 0.00 -0.34 0.00 0.00 43.02 39.63 3m82 s PHE 174 CO 0.56 -1.73 1.85 -1.35 -1.46 0.00 0.00 175.22 173.09 3m82 h PRO 175 N 6.96 0.98 0.00 10.12 0.11 -1.88 -2.26 132.00 146.03 3m82 h PRO 175 Ca -0.41 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3m82 h PRO 175 Cb 1.21 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3m82 h PRO 175 CO 0.84 0.65 0.00 0.94 -0.21 0.00 0.00 178.00 180.22 3m82 n GLN 176 N -4.60 0.04 -2.29 1.05 7.27 -1.26 -4.81 117.38 112.79 3m82 n GLN 176 Ca 0.14 0.14 -0.42 0.00 0.07 0.00 0.00 57.00 56.92 3m82 n GLN 176 Cb 0.21 -1.56 -0.03 0.00 2.41 0.00 0.00 30.24 31.27 3m82 n GLN 176 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3m82 s VAL 177 N -3.03 3.88 -0.47 1.69 1.01 -0.85 0.02 120.40 122.64 3m82 s VAL 177 Ca 0.11 1.23 -0.29 0.00 0.00 0.00 0.00 61.98 63.03 3m82 s VAL 177 Cb 0.15 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.75 3m82 s VAL 177 CO 0.44 -0.01 1.33 -0.62 0.00 0.00 0.00 175.10 176.23 3m82 s ASP 178 N 1.85 6.39 0.21 3.32 -1.08 0.70 -4.80 116.67 123.25 3m82 s ASP 178 Ca 0.62 0.59 0.22 0.00 -0.52 0.00 0.00 52.55 53.46 3m82 s ASP 178 Cb -0.29 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 39.54 3m82 s ASP 178 CO 0.25 -1.44 1.67 0.00 0.52 0.00 0.00 175.17 176.17 3m82 n GLN 179 N 8.14 0.16 0.00 4.34 6.02 -1.26 -1.18 117.38 133.59 3m82 n GLN 179 Ca 0.14 0.38 0.13 0.00 -0.01 0.00 0.00 57.00 57.65 3m82 n GLN 179 Cb 0.49 -1.80 0.51 0.00 1.02 0.00 0.00 30.24 30.46 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 -2.10 0.14 -2.69 -1.09 -0.58 -1.26 -4.20 120.64 108.87 3m82 n GLU 180 Ca 0.03 -0.04 -0.20 0.00 -0.42 0.00 0.00 57.16 56.53 3m82 n GLU 180 Cb 0.23 -1.50 0.00 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 -1.39 2.31 -3.44 3.49 1.74 -0.33 -4.91 116.66 114.13 3m82 n ARG 181 Ca 0.08 -3.98 -0.40 0.00 -0.77 0.00 0.00 57.85 52.78 3m82 n ARG 181 Cb 0.32 -1.83 -0.10 0.00 -1.02 0.00 0.00 32.46 29.84 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 -4.17 5.20 -0.11 0.55 1.01 -1.25 -1.18 121.20 121.25 3m82 s ILE 182 Ca 0.40 0.24 -0.04 0.00 0.00 0.00 0.00 60.65 61.25 3m82 s ILE 182 Cb 0.40 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 3m82 s ILE 182 CO -0.09 0.06 0.02 -0.69 0.00 0.00 0.00 174.94 174.24 3m82 s VAL 183 N 1.98 4.50 -0.13 2.92 1.01 0.42 -0.39 120.40 130.70 3m82 s VAL 183 Ca 0.12 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 3m82 s VAL 183 Cb -0.16 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 3m82 s VAL 183 CO 0.11 0.57 0.03 0.27 0.00 0.00 0.00 175.10 176.08 3m82 s ILE 184 N -0.57 4.49 -0.01 2.22 -4.36 0.46 -0.24 121.20 123.19 3m82 s ILE 184 Ca 0.10 -0.16 0.00 0.00 -0.26 0.00 0.00 60.65 60.33 3m82 s ILE 184 Cb -0.12 -2.95 0.02 0.00 1.25 0.00 0.00 42.46 40.66 3m82 s ILE 184 CO 0.02 0.54 0.01 0.00 0.24 0.00 0.00 174.94 175.76 3m82 s ALA 185 N -0.31 0.08 -0.12 2.27 0.00 0.23 -0.50 121.76 123.41 3m82 s ALA 185 Ca 0.07 0.15 -0.31 0.00 0.00 0.00 0.00 51.96 51.88 3m82 s ALA 185 Cb -0.12 -0.15 0.12 0.00 0.00 0.00 0.00 23.12 22.98 3m82 s ALA 185 CO 0.02 -0.05 1.02 0.20 0.00 0.00 0.00 175.76 176.95 3m82 s GLY 186 N 0.58 -0.32 -0.61 0.00 0.00 -0.77 -0.99 107.32 105.21 3m82 s GLY 186 Ca -0.05 1.64 0.03 0.00 0.00 0.00 0.00 44.72 46.34 3m82 s GLY 186 CO -0.02 0.69 1.38 0.61 0.00 0.00 0.00 173.10 175.77 3m82 n GLY 187 N 0.21 5.83 0.00 0.20 0.00 -1.26 -1.78 105.19 108.40 3m82 n GLY 187 Ca -0.07 -2.68 0.00 0.00 0.00 0.00 0.00 46.02 43.27 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 -0.43 0.00 0.04 1.61 7.27 -1.26 -3.25 117.38 121.35 3m82 n GLN 189 Ca 0.42 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.53 3m82 n GLN 189 Cb 0.48 0.00 0.41 0.00 2.41 0.00 0.00 30.24 33.54 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 0.48 1.53 1.69 0.00 -1.80 -0.81 103.07 104.17 3m82 h GLY 190 Ca 0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 47.33 46.95 3m82 h GLY 190 CO 0.00 0.21 -0.63 -1.33 0.00 0.00 0.00 176.54 174.78 3m82 h GLY 191 N 0.59 0.52 1.19 4.60 0.00 -1.51 -0.09 103.07 108.37 3m82 h GLY 191 Ca 0.11 -0.66 -0.17 0.00 0.00 0.00 0.00 47.33 46.61 3m82 h GLY 191 CO -0.01 0.59 -0.48 -1.33 0.00 0.00 0.00 176.54 175.31 3m82 h GLY 192 N 1.16 0.94 0.79 4.60 0.00 -1.44 -1.17 103.07 107.96 3m82 h GLY 192 Ca -0.01 -1.04 0.00 0.00 0.00 0.00 0.00 47.33 46.28 3m82 h GLY 192 CO 0.11 0.93 -0.19 -2.22 0.00 0.00 0.00 176.54 175.18 3m82 h ILE 193 N 0.68 0.59 -0.69 2.60 2.04 -1.09 -2.35 117.51 119.29 3m82 h ILE 193 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3m82 h ILE 193 Cb 1.07 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 3m82 h ILE 193 CO 0.11 0.00 0.44 0.00 0.00 0.00 0.00 178.15 178.70 3m82 h ALA 194 N 0.34 1.48 -0.65 1.87 0.00 -0.96 -1.42 119.26 119.93 3m82 h ALA 194 Ca -0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3m82 h ALA 194 Cb 0.38 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3m82 h ALA 194 CO -0.04 0.47 0.07 1.25 0.00 0.00 0.00 179.25 181.01 3m82 h LEU 195 N 0.94 1.05 -0.58 0.00 5.85 -1.10 0.11 115.31 121.59 3m82 h LEU 195 Ca 0.25 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3m82 h LEU 195 Cb -0.09 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.64 3m82 h LEU 195 CO -0.05 1.06 0.30 0.00 -0.34 0.00 0.00 178.44 179.41 3m82 h ALA 196 N 1.05 0.74 -0.46 1.25 0.00 -0.74 -2.97 119.26 118.14 3m82 h ALA 196 Ca 0.19 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3m82 h ALA 196 Cb 0.48 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3m82 h ALA 196 CO 0.02 0.28 0.06 0.28 0.00 0.00 0.00 179.25 179.89 3m82 h VAL 197 N 0.78 1.22 -0.12 0.00 2.07 -0.88 -1.81 116.25 117.50 3m82 h VAL 197 Ca 0.20 -0.84 0.04 0.00 0.82 0.00 0.00 66.70 66.92 3m82 h VAL 197 Cb 0.07 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3m82 h VAL 197 CO -0.03 0.30 0.12 0.77 0.02 0.00 0.00 177.57 178.76 3m82 h SER 198 N 0.69 0.00 0.20 0.57 4.64 -0.62 0.73 113.55 119.76 3m82 h SER 198 Ca 0.15 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.16 3m82 h SER 198 Cb 0.33 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.37 3m82 h SER 198 CO 0.01 0.00 -2.09 0.00 -0.87 0.00 0.00 176.83 173.88 3m82 n ALA 199 N -2.38 1.61 -0.04 5.18 0.00 -0.91 -4.34 120.51 119.64 3m82 n ALA 199 Ca 0.00 -1.06 0.03 0.00 0.00 0.00 0.00 53.44 52.41 3m82 n ALA 199 Cb 0.24 -0.48 -0.15 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.82 0.00 -4.83 0.00 4.77 -0.73 -4.90 117.00 108.49 3m82 n LEU 200 Ca -0.25 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.37 3m82 n LEU 200 Cb 1.07 0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 42.26 3m82 n LEU 200 CO 0.44 0.16 0.27 -0.55 -1.33 0.00 0.00 177.39 176.38 3m82 s SER 201 N -4.62 6.90 0.00 -1.43 0.15 0.20 -4.98 113.70 109.92 3m82 s SER 201 Ca -0.08 1.17 0.22 0.00 0.70 0.00 0.00 55.95 57.96 3m82 s SER 201 Cb 0.10 -2.32 -0.19 0.00 -1.71 0.00 0.00 66.02 61.90 3m82 s SER 201 CO 0.79 0.12 0.80 0.29 1.20 0.00 0.00 173.24 176.44 3m82 n LYS 202 N 0.93 0.29 0.01 5.44 4.76 -1.26 -4.53 118.16 123.80 3m82 n LYS 202 Ca -0.06 -0.06 0.11 0.00 -2.87 0.00 0.00 58.31 55.43 3m82 n LYS 202 Cb 0.51 -1.53 -0.11 0.00 -1.84 0.00 0.00 35.03 32.06 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 -1.87 0.49 -2.35 1.97 5.02 -1.26 -4.96 118.16 115.21 3m82 n LYS 203 Ca 0.01 -0.10 -0.41 0.00 -2.02 0.00 0.00 58.31 55.79 3m82 n LYS 203 Cb 0.43 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.85 3m82 n LYS 203 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3m82 s ALA 204 N -3.37 3.45 -0.05 7.82 0.00 -1.26 -4.72 121.76 123.62 3m82 s ALA 204 Ca -0.03 1.01 0.08 0.00 0.00 0.00 0.00 51.96 53.02 3m82 s ALA 204 Cb 0.14 -3.40 -0.11 0.00 0.00 0.00 0.00 23.12 19.75 3m82 s ALA 204 CO 0.87 -0.36 0.10 1.63 0.00 0.00 0.00 175.76 178.01 3m82 n LYS 205 N 1.63 1.57 -3.81 0.00 4.76 0.47 -4.96 118.16 117.83 3m82 n LYS 205 Ca 0.01 -0.04 -0.12 0.00 -2.87 0.00 0.00 58.31 55.29 3m82 n LYS 205 Cb 0.44 -1.20 -0.09 0.00 -1.84 0.00 0.00 35.03 32.34 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 -2.37 -0.58 -0.13 7.82 0.00 -1.12 -4.16 121.76 121.22 3m82 s ALA 206 Ca -0.03 0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.01 3m82 s ALA 206 Cb 0.04 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 3m82 s ALA 206 CO 0.33 -0.27 -0.17 -1.17 0.00 0.00 0.00 175.76 174.48 3m82 s LEU 207 N -1.51 2.45 -0.26 0.00 2.96 -0.21 -0.40 118.68 121.72 3m82 s LEU 207 Ca -0.12 -0.45 -0.06 0.00 -0.22 0.00 0.00 54.13 53.28 3m82 s LEU 207 Cb -0.05 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 3m82 s LEU 207 CO 0.02 0.13 0.05 -0.76 -1.32 0.00 0.00 176.35 174.46 3m82 s LEU 208 N 0.56 3.45 -0.31 -0.68 1.43 0.35 -1.09 118.68 122.39 3m82 s LEU 208 Ca -0.10 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 52.59 3m82 s LEU 208 Cb -0.16 -1.87 0.10 0.00 0.03 0.00 0.00 46.19 44.29 3m82 s LEU 208 CO 0.04 -0.08 0.10 0.00 0.23 0.00 0.00 176.35 176.63 3m82 s ASP 210 N 1.58 6.24 -0.98 0.00 1.01 -0.73 -1.89 116.67 121.89 3m82 s ASP 210 Ca 0.10 0.36 -0.19 0.00 0.71 0.00 0.00 52.55 53.53 3m82 s ASP 210 Cb -0.17 -2.05 0.03 0.00 1.01 0.00 0.00 42.92 41.74 3m82 s ASP 210 CO -0.24 0.32 0.36 1.33 0.21 0.00 0.00 175.17 177.14 3m82 n VAL 211 N 2.58 -1.59 -2.27 -1.27 0.24 -0.42 -4.29 118.33 111.32 3m82 n VAL 211 Ca -0.18 -0.42 -0.41 0.00 -2.04 0.00 0.00 64.34 61.29 3m82 n VAL 211 Cb 0.54 -1.38 -0.03 0.00 -1.47 0.00 0.00 33.84 31.49 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 -6.71 4.46 0.33 7.34 0.04 -1.26 -4.75 135.00 134.46 3m82 s PRO 212 Ca 0.26 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.40 3m82 s PRO 212 Cb -0.15 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 3m82 s PRO 212 CO 0.74 -0.06 0.41 0.12 0.04 0.00 0.00 177.00 178.24 3m82 s PHE 213 N -0.82 3.07 -0.51 0.56 5.36 -1.26 -4.66 117.98 119.71 3m82 s PHE 213 Ca 0.49 -0.23 -0.02 0.00 -0.96 0.00 0.00 56.93 56.21 3m82 s PHE 213 Cb -0.36 -1.90 0.00 0.00 -0.34 0.00 0.00 43.02 40.42 3m82 s PHE 213 CO 0.45 0.08 0.25 1.28 -1.46 0.00 0.00 175.22 175.82 3m82 n LEU 214 N -1.54 -2.04 -4.00 6.12 4.77 -1.26 -3.24 117.00 115.81 3m82 n LEU 214 Ca -0.01 -0.12 -0.23 0.00 -0.03 0.00 0.00 56.01 55.62 3m82 n LEU 214 Cb 0.59 -1.34 -0.16 0.00 -2.33 0.00 0.00 43.42 40.17 3m82 n LEU 214 CO 0.42 0.11 -0.46 0.00 -1.33 0.00 0.00 177.39 176.14 3m82 n HIS 216 N 3.76 -1.99 -0.33 0.00 -0.00 -1.26 -4.67 115.22 110.73 3m82 n HIS 216 Ca -0.23 0.75 0.11 0.00 -0.00 0.00 0.00 57.72 58.35 3m82 n HIS 216 Cb 0.52 -4.12 0.28 0.00 -0.00 0.00 0.00 29.99 26.68 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 -1.75 0.93 -0.57 1.57 0.04 -1.95 -1.27 116.94 113.94 3m82 h PHE 217 Ca -0.62 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.11 3m82 h PHE 217 Cb 1.35 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 39.21 3m82 h PHE 217 CO 0.41 0.19 0.08 -0.09 -0.60 0.00 0.00 178.31 178.30 3m82 h ARG 218 N 0.68 0.92 0.03 1.51 9.65 -1.99 -2.04 114.38 123.15 3m82 h ARG 218 Ca 0.54 -0.23 -0.20 0.00 -1.10 0.00 0.00 59.98 58.99 3m82 h ARG 218 Cb 0.82 -0.12 0.02 0.00 -1.39 0.00 0.00 29.97 29.30 3m82 h ARG 218 CO -0.39 0.86 -0.79 -0.09 2.80 0.00 0.00 179.97 182.37 3m82 h ARG 219 N 0.87 0.48 -0.66 0.20 9.65 -1.77 -3.25 114.38 119.90 3m82 h ARG 219 Ca 0.18 -0.56 0.12 0.00 -1.10 0.00 0.00 59.98 58.62 3m82 h ARG 219 Cb 0.40 0.17 -0.09 0.00 -1.39 0.00 0.00 29.97 29.06 3m82 h ARG 219 CO 0.01 1.20 0.20 0.00 2.80 0.00 0.00 179.97 184.18 3m82 h ALA 220 N 0.30 0.85 0.00 2.80 0.00 -1.03 -2.06 119.26 120.11 3m82 h ALA 220 Ca -0.11 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3m82 h ALA 220 Cb 1.50 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 3m82 h ALA 220 CO 0.15 -0.26 -0.08 0.28 0.00 0.00 0.00 179.25 179.34 3m82 h VAL 221 N 0.34 0.17 -0.17 0.00 2.07 -1.48 -2.22 116.25 114.97 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 0.52 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 3m82 h VAL 221 CO -0.39 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.27 3m82 n GLN 222 N -3.17 2.25 -0.06 1.57 6.02 -0.98 -4.50 117.38 118.51 3m82 n GLN 222 Ca 0.02 -2.00 -0.10 0.00 -0.01 0.00 0.00 57.00 54.91 3m82 n GLN 222 Cb 0.42 -1.45 -0.06 0.00 1.02 0.00 0.00 30.24 30.17 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 1.33 2.57 -4.29 1.08 0.00 -0.81 -5.07 117.00 111.80 3m82 n LEU 223 Ca 0.15 -0.02 -0.22 0.00 0.00 0.00 0.00 56.01 55.93 3m82 n LEU 223 Cb 0.57 -0.43 -0.12 0.00 0.00 0.00 0.00 43.42 43.44 3m82 n LEU 223 CO 0.14 0.62 -0.49 0.68 0.00 0.00 0.00 177.39 178.35 3m82 s VAL 224 N -2.25 1.66 -0.16 1.96 -7.23 -0.86 -5.02 120.40 108.49 3m82 s VAL 224 Ca -0.17 -1.73 0.17 0.00 -1.81 0.00 0.00 61.98 58.44 3m82 s VAL 224 Cb 0.05 -1.65 0.43 0.00 0.56 0.00 0.00 36.38 35.77 3m82 s VAL 224 CO 0.28 -0.24 1.31 -0.90 -0.31 0.00 0.00 175.10 175.24 3m82 n ASP 225 N 0.65 3.15 -4.84 4.85 5.68 -1.26 -4.71 116.55 120.07 3m82 n ASP 225 Ca -0.16 -3.10 -0.32 0.00 -0.50 0.00 0.00 54.79 50.71 3m82 n ASP 225 Cb 0.56 -0.50 -0.01 0.00 -1.14 0.00 0.00 41.12 40.02 3m82 n ASP 225 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3m82 s THR 226 N -2.88 4.37 0.44 2.12 -4.23 -1.26 -4.74 115.64 109.46 3m82 s THR 226 Ca 0.38 1.04 -0.21 0.00 -1.18 0.00 0.00 61.69 61.72 3m82 s THR 226 Cb 0.32 -3.65 -0.10 0.00 1.34 0.00 0.00 72.50 70.41 3m82 s THR 226 CO 0.06 -0.74 0.98 -1.00 -0.54 0.00 0.00 174.62 173.37 3m82 s HIS 227 N -2.71 3.25 -1.10 3.99 3.76 -1.26 -0.69 115.29 120.53 3m82 s HIS 227 Ca 0.59 1.61 0.27 0.00 -0.15 0.00 0.00 55.06 57.38 3m82 s HIS 227 Cb -0.12 -2.92 0.82 0.00 1.11 0.00 0.00 32.58 31.47 3m82 s HIS 227 CO 0.38 -0.30 1.63 -0.35 -0.85 0.00 0.00 174.74 175.25 3m82 n PRO 228 N -0.62 0.11 -0.24 8.40 -0.05 -1.26 -4.88 135.00 136.45 3m82 n PRO 228 Ca 0.07 -0.05 0.15 0.00 -0.05 0.00 0.00 63.50 63.62 3m82 n PRO 228 Cb 0.53 -1.50 0.45 0.00 -0.05 0.00 0.00 33.50 32.93 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 0.12 0.67 -0.08 0.54 0.05 -1.86 -1.82 116.97 114.59 3m82 h TYR 229 Ca 0.00 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.82 3m82 h TYR 229 Cb 0.49 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 38.02 3m82 h TYR 229 CO 0.00 0.22 0.23 0.00 -1.05 0.00 0.00 178.16 177.56 3m82 h ALA 230 N 1.62 1.42 -0.94 3.88 0.00 -1.20 -1.77 119.26 122.27 3m82 h ALA 230 Ca 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3m82 h ALA 230 Cb 0.91 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 3m82 h ALA 230 CO -0.19 -0.27 0.60 0.93 0.00 0.00 0.00 179.25 180.33 3m82 h GLU 231 N 0.00 1.26 -0.08 0.00 5.08 -1.61 -1.47 114.58 117.76 3m82 h GLU 231 Ca 0.04 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3m82 h GLU 231 Cb 0.49 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 3m82 h GLU 231 CO -0.00 0.86 -0.04 0.82 -1.00 0.00 0.00 179.01 179.65 3m82 h ILE 232 N 1.29 1.33 -0.50 3.13 2.04 -1.51 -2.28 117.51 121.02 3m82 h ILE 232 Ca 0.34 -1.07 0.06 0.00 1.00 0.00 0.00 64.86 65.20 3m82 h ILE 232 Cb -0.11 1.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.79 3m82 h ILE 232 CO -0.07 0.30 0.19 0.74 0.00 0.00 0.00 178.15 179.31 3m82 h THR 233 N -0.21 0.85 -0.71 -0.27 2.02 -1.51 -1.02 112.91 112.06 3m82 h THR 233 Ca 0.02 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 3m82 h THR 233 Cb 0.49 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 3m82 h THR 233 CO 0.01 0.07 0.34 0.78 0.37 0.00 0.00 175.52 177.09 3m82 h ASN 234 N 0.37 0.94 -0.51 4.18 2.35 -1.30 -0.20 115.58 121.41 3m82 h ASN 234 Ca 0.24 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3m82 h ASN 234 Cb 0.24 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 3m82 h ASN 234 CO -0.23 0.81 0.33 0.15 -1.65 0.00 0.00 177.43 176.84 3m82 h PHE 235 N 1.00 0.65 -0.10 1.19 3.04 -0.93 -2.90 116.94 118.88 3m82 h PHE 235 Ca 0.24 0.01 -0.09 0.00 3.98 0.00 0.00 57.97 62.12 3m82 h PHE 235 Cb 0.13 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.41 3m82 h PHE 235 CO 0.01 0.42 -0.32 -0.07 -2.02 0.00 0.00 178.31 176.32 3m82 h LEU 236 N 0.69 0.20 -1.65 0.59 3.38 -0.86 0.67 115.31 118.34 3m82 h LEU 236 Ca 0.19 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3m82 h LEU 236 Cb -0.06 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3m82 h LEU 236 CO -0.04 0.53 0.13 0.11 0.09 0.00 0.00 178.44 179.25 3m82 h LYS 237 N 0.18 0.35 0.00 1.13 1.57 -0.84 -3.28 116.57 115.67 3m82 h LYS 237 Ca 0.02 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 3m82 h LYS 237 Cb 0.67 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 3m82 h LYS 237 CO 0.05 0.28 -1.11 2.41 -0.57 0.00 0.00 179.45 180.51 3m82 n THR 238 N -4.45 1.50 -2.29 -0.16 -1.04 -1.03 -4.64 114.28 102.16 3m82 n THR 238 Ca 0.01 0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.62 3m82 n THR 238 Cb 0.11 -2.13 0.00 0.00 -1.82 0.00 0.00 70.33 66.49 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 -4.48 2.88 0.31 -1.42 8.25 0.20 -4.77 115.22 116.20 3m82 n HIS 239 Ca -0.26 -2.79 0.16 0.00 -0.26 0.00 0.00 57.72 54.57 3m82 n HIS 239 Cb 0.58 -1.94 0.64 0.00 1.12 0.00 0.00 29.99 30.39 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 5.62 0.00 -0.00 -0.41 3.08 -1.82 -0.77 114.38 120.08 3m82 h ARG 240 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.48 3m82 h ARG 240 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3m82 h ARG 240 CO 1.62 0.00 -0.09 -0.40 -1.07 0.00 0.00 179.97 180.03 3m82 n ASP 241 N -2.84 0.33 -0.92 7.04 5.75 -1.26 -4.42 116.55 120.22 3m82 n ASP 241 Ca 0.01 -0.43 0.07 0.00 -0.01 0.00 0.00 54.79 54.43 3m82 n ASP 241 Cb 0.28 -0.13 0.23 0.00 -1.03 0.00 0.00 41.12 40.47 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 -1.07 3.06 0.04 0.11 4.76 -0.29 -4.72 118.16 120.04 3m82 n LYS 242 Ca 0.14 -2.48 -0.12 0.00 -2.87 0.00 0.00 58.31 52.97 3m82 n LYS 242 Cb 0.27 -1.58 -0.08 0.00 -1.84 0.00 0.00 35.03 31.80 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 2.39 -0.03 -0.46 1.97 4.81 -1.77 -1.08 114.58 120.41 3m82 h GLU 243 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3m82 h GLU 243 Cb 1.11 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 3m82 h GLU 243 CO 0.12 0.10 0.27 1.49 -0.73 0.00 0.00 179.01 180.25 3m82 h GLU 244 N -0.15 0.64 -0.80 1.92 4.81 -1.95 -2.62 114.58 116.42 3m82 h GLU 244 Ca -0.00 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3m82 h GLU 244 Cb 0.14 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 3m82 h GLU 244 CO 0.00 0.49 0.43 0.82 -0.73 0.00 0.00 179.01 180.03 3m82 h ILE 245 N 0.61 1.24 -0.00 2.32 2.04 -1.87 -1.20 117.51 120.65 3m82 h ILE 245 Ca 0.16 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.42 3m82 h ILE 245 Cb 0.03 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 3m82 h ILE 245 CO -0.03 0.27 0.00 0.58 0.00 0.00 0.00 178.15 178.97 3m82 h VAL 246 N 1.12 1.02 0.00 1.67 2.07 -1.02 -1.72 116.25 119.38 3m82 h VAL 246 Ca 0.28 -0.05 -0.10 0.00 0.82 0.00 0.00 66.70 67.66 3m82 h VAL 246 Cb 0.04 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3m82 h VAL 246 CO -0.04 0.01 -0.47 -0.26 0.02 0.00 0.00 177.57 176.83 3m82 h PHE 247 N -0.02 0.00 0.27 1.57 0.04 -1.41 -1.30 116.94 116.09 3m82 h PHE 247 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3m82 h PHE 247 Cb 0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.17 3m82 h PHE 247 CO -0.07 0.47 -0.13 -0.09 -0.60 0.00 0.00 178.31 177.89 3m82 h ARG 248 N 0.00 -0.35 -0.40 1.51 2.43 -1.12 -2.31 114.38 114.14 3m82 h ARG 248 Ca -0.00 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3m82 h ARG 248 Cb 1.06 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.64 3m82 h ARG 248 CO 0.06 -0.11 0.12 1.15 -1.51 0.00 0.00 179.97 179.68 3m82 h THR 249 N -0.54 0.85 0.00 0.20 2.02 -1.11 -2.52 112.91 111.81 3m82 h THR 249 Ca -0.04 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 3m82 h THR 249 Cb 0.40 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3m82 h THR 249 CO 0.06 0.05 -0.10 -0.07 0.37 0.00 0.00 175.52 175.83 3m82 h LEU 250 N 0.27 0.00 -2.08 2.58 3.38 -1.24 -2.71 115.31 115.52 3m82 h LEU 250 Ca 0.19 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.17 3m82 h LEU 250 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3m82 h LEU 250 CO -0.21 0.10 0.02 0.77 0.09 0.00 0.00 178.44 179.21 3m82 h SER 251 N 0.00 0.00 0.72 -0.43 4.64 -0.95 -1.54 113.55 116.00 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 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3m82 h SER 251 CO 0.01 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.75 3m82 n TYR 252 N -4.42 0.11 -0.33 4.77 4.02 -1.02 -3.57 117.16 116.71 3m82 n TYR 252 Ca -0.02 0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3m82 n TYR 252 Cb 0.12 -0.56 0.00 0.00 -0.02 0.00 0.00 39.34 38.88 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 -1.59 0.00 -2.80 -0.72 3.72 -0.61 -5.02 117.46 110.42 3m82 n PHE 253 Ca 0.05 -0.19 -0.42 0.00 -0.05 0.00 0.00 57.45 56.83 3m82 n PHE 253 Cb 0.24 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.73 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 -0.39 7.15 0.54 4.37 -1.08 -0.98 -4.86 116.67 121.42 3m82 s ASP 254 Ca 0.00 1.41 0.23 0.00 -0.52 0.00 0.00 52.55 53.66 3m82 s ASP 254 Cb 0.00 -2.51 1.47 0.00 -1.46 0.00 0.00 42.92 40.42 3m82 s ASP 254 CO 0.00 -0.34 2.15 1.23 0.52 0.00 0.00 175.17 178.73 3m82 h GLY 255 N 7.65 0.00 1.03 2.66 0.00 -1.35 -1.10 103.07 111.97 3m82 h GLY 255 Ca -0.34 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 3m82 h GLY 255 CO 0.81 0.00 0.48 -2.08 0.00 0.00 0.00 176.54 175.75 3m82 h VAL 256 N 0.00 1.26 -0.06 4.60 2.07 -1.90 0.13 116.25 122.34 3m82 h VAL 256 Ca -0.00 -0.65 -0.20 0.00 0.82 0.00 0.00 66.70 66.66 3m82 h VAL 256 Cb 0.11 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 3m82 h VAL 256 CO 0.01 0.29 -0.80 0.78 0.02 0.00 0.00 177.57 177.87 3m82 h ASN 257 N 1.25 0.56 -0.45 0.57 2.35 -1.55 -2.87 115.58 115.44 3m82 h ASN 257 Ca 0.31 -0.39 -0.10 0.00 -0.55 0.00 0.00 56.30 55.58 3m82 h ASN 257 Cb 0.04 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3m82 h ASN 257 CO -0.05 1.16 -0.09 -0.26 -1.65 0.00 0.00 177.43 176.54 3m82 h PHE 258 N 0.30 0.97 -0.79 1.19 0.04 -1.42 -3.27 116.94 113.97 3m82 h PHE 258 Ca -0.05 -0.20 0.13 0.00 2.80 0.00 0.00 57.97 60.65 3m82 h PHE 258 Cb 1.40 -0.24 -0.09 0.00 2.20 0.00 0.00 35.95 39.22 3m82 h PHE 258 CO 0.05 0.95 0.38 0.00 -0.60 0.00 0.00 178.31 179.09 3m82 h ALA 259 N 0.88 1.14 0.00 2.45 0.00 -0.71 -0.75 119.26 122.27 3m82 h ALA 259 Ca 0.12 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3m82 h ALA 259 Cb 0.63 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3m82 h ALA 259 CO 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.18 3m82 h ALA 260 N 1.52 1.00 0.00 0.00 0.00 -1.52 -1.96 119.26 118.30 3m82 h ALA 260 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3m82 h ALA 260 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3m82 h ALA 260 CO -0.35 0.00 -0.68 0.54 0.00 0.00 0.00 179.25 178.76 3m82 n ARG 261 N -2.37 2.49 -2.81 0.00 1.74 -0.33 -4.69 116.66 110.69 3m82 n ARG 261 Ca -0.01 -0.01 -0.40 0.00 -0.77 0.00 0.00 57.85 56.67 3m82 n ARG 261 Cb 0.09 -1.14 -0.06 0.00 -1.02 0.00 0.00 32.46 30.33 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 -2.29 3.36 -0.00 7.54 0.00 -0.90 -4.81 121.76 124.65 3m82 s ALA 262 Ca 0.05 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.55 3m82 s ALA 262 Cb 0.10 -3.15 -0.00 0.00 0.00 0.00 0.00 23.12 20.07 3m82 s ALA 262 CO 0.55 0.21 0.00 1.63 0.00 0.00 0.00 175.76 178.15 3m82 n LYS 263 N 1.65 1.54 -2.49 0.00 4.76 -1.26 -1.09 118.16 121.27 3m82 n LYS 263 Ca -0.03 -0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.09 3m82 n LYS 263 Cb 0.48 -0.89 -0.04 0.00 -1.84 0.00 0.00 35.03 32.73 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 -1.79 4.42 0.49 -0.18 -4.36 -1.26 -4.25 121.20 114.27 3m82 s ILE 264 Ca -0.00 1.26 -0.24 0.00 -0.26 0.00 0.00 60.65 61.41 3m82 s ILE 264 Cb 0.00 -3.66 -0.07 0.00 1.25 0.00 0.00 42.46 39.98 3m82 s ILE 264 CO 0.01 -0.57 1.38 -2.16 0.24 0.00 0.00 174.94 173.84 3m82 s PRO 265 N -3.81 3.49 -0.00 0.37 0.04 -1.26 -4.22 135.00 129.60 3m82 s PRO 265 Ca 0.60 2.30 0.01 0.00 0.04 0.00 0.00 61.00 63.95 3m82 s PRO 265 Cb -0.10 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.94 3m82 s PRO 265 CO 0.27 -0.93 -0.03 0.00 0.04 0.00 0.00 177.00 176.35 3m82 s ALA 266 N -1.26 0.25 -0.24 8.56 0.00 -0.28 -1.04 121.76 127.75 3m82 s ALA 266 Ca 0.65 -0.10 -0.03 0.00 0.00 0.00 0.00 51.96 52.48 3m82 s ALA 266 Cb -0.41 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.64 3m82 s ALA 266 CO 0.51 0.05 -0.05 -1.17 0.00 0.00 0.00 175.76 175.10 3m82 s LEU 267 N 0.03 3.10 0.32 0.00 2.96 -0.25 -1.65 118.68 123.19 3m82 s LEU 267 Ca 0.00 -0.71 0.02 0.00 -0.22 0.00 0.00 54.13 53.22 3m82 s LEU 267 Cb -0.02 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 3m82 s LEU 267 CO -0.00 -0.10 0.49 -0.36 -1.32 0.00 0.00 176.35 175.06 3m82 s PHE 268 N 1.38 3.44 0.04 5.38 0.40 0.02 -1.30 117.98 127.34 3m82 s PHE 268 Ca 0.02 0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.54 3m82 s PHE 268 Cb -0.16 -1.82 -0.03 0.00 0.51 0.00 0.00 43.02 41.53 3m82 s PHE 268 CO -0.04 0.19 -0.05 -1.54 0.70 0.00 0.00 175.22 174.48 3m82 s SER 269 N -4.04 0.54 -0.03 1.36 1.04 -0.79 -1.17 113.70 110.60 3m82 s SER 269 Ca 0.39 -0.62 -0.05 0.00 0.48 0.00 0.00 55.95 56.15 3m82 s SER 269 Cb -0.09 0.09 0.01 0.00 0.10 0.00 0.00 66.02 66.13 3m82 s SER 269 CO 0.33 -0.32 0.13 0.54 0.98 0.00 0.00 173.24 174.90 3m82 s VAL 270 N -1.92 0.03 -0.23 5.02 0.11 -0.73 -1.30 120.40 121.38 3m82 s VAL 270 Ca -0.09 -0.23 -0.07 0.00 -2.93 0.00 0.00 61.98 58.66 3m82 s VAL 270 Cb -0.06 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.49 3m82 s VAL 270 CO -0.02 -0.13 0.05 -0.83 -3.33 0.00 0.00 175.10 170.84 3m82 s GLY 271 N -0.39 1.76 0.37 6.54 0.00 -1.26 -1.06 107.32 113.27 3m82 s GLY 271 Ca -0.05 -1.06 0.28 0.00 0.00 0.00 0.00 44.72 43.89 3m82 s GLY 271 CO 0.00 0.40 1.82 1.41 0.00 0.00 0.00 173.10 176.73 3m82 h LEU 272 N 7.88 0.00 -3.22 0.66 3.38 -1.29 -2.01 115.31 120.71 3m82 h LEU 272 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3m82 h LEU 272 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 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 -2.58 3.35 -2.28 1.13 2.81 -0.46 -4.61 117.12 114.47 3m82 n MET 273 Ca 0.02 -2.76 -0.43 0.00 -1.81 0.00 0.00 57.70 52.72 3m82 n MET 273 Cb 0.28 -1.81 -0.02 0.00 -0.71 0.00 0.00 33.22 30.95 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 -1.43 6.60 0.00 7.83 -1.08 -0.76 -4.38 116.67 123.46 3m82 s ASP 274 Ca 0.42 1.49 0.16 0.00 -0.52 0.00 0.00 52.55 54.10 3m82 s ASP 274 Cb 0.31 -2.54 0.26 0.00 -1.46 0.00 0.00 42.92 39.49 3m82 s ASP 274 CO 0.14 -1.09 1.16 -0.46 0.52 0.00 0.00 175.17 175.44 3m82 n ASN 275 N 7.75 2.77 -0.10 -0.34 6.94 -1.26 -3.72 115.26 127.30 3m82 n ASN 275 Ca 0.16 -1.81 -0.22 0.00 -0.02 0.00 0.00 54.58 52.69 3m82 n ASN 275 Cb 0.46 -0.13 -0.12 0.00 -2.36 0.00 0.00 39.78 37.63 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 0.97 1.54 -3.93 1.53 2.08 -1.26 -4.55 119.36 115.74 3m82 n ILE 276 Ca 0.13 -0.05 -0.30 0.00 0.56 0.00 0.00 62.75 63.09 3m82 n ILE 276 Cb 0.45 -2.03 -0.14 0.00 -0.75 0.00 0.00 39.64 37.17 3m82 n ILE 276 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3m82 s PRO 278 N -0.21 3.55 0.40 0.00 0.02 -1.24 -4.75 135.00 132.76 3m82 s PRO 278 Ca 0.17 2.29 0.14 0.00 0.02 0.00 0.00 61.00 63.62 3m82 s PRO 278 Cb -0.26 -2.52 0.98 0.00 0.02 0.00 0.00 34.50 32.72 3m82 s PRO 278 CO -0.00 -0.88 1.88 -1.35 -0.33 0.00 0.00 177.00 176.32 3m82 h PRO 279 N 2.07 0.49 -0.13 5.54 0.11 -1.79 0.23 132.00 138.53 3m82 h PRO 279 Ca -0.51 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 3m82 h PRO 279 Cb 1.27 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3m82 h PRO 279 CO 0.60 0.32 -0.10 0.66 -0.21 0.00 0.00 178.00 179.28 3m82 h SER 280 N 0.50 0.18 0.14 -2.05 4.64 -1.93 0.59 113.55 115.62 3m82 h SER 280 Ca 0.43 -0.03 -0.30 0.00 -0.47 0.00 0.00 61.79 61.42 3m82 h SER 280 Cb 0.91 -0.05 0.03 0.00 -0.31 0.00 0.00 62.40 62.98 3m82 h SER 280 CO -0.17 0.30 -1.25 0.71 -0.87 0.00 0.00 176.83 175.55 3m82 h THR 281 N 0.19 1.28 -0.29 2.95 1.35 -1.29 -2.07 112.91 115.03 3m82 h THR 281 Ca 0.04 -2.47 -0.04 0.00 -0.55 0.00 0.00 66.41 63.39 3m82 h THR 281 Cb 0.30 2.70 -0.01 0.00 -1.73 0.00 0.00 68.15 69.41 3m82 h THR 281 CO 0.02 0.75 0.03 0.58 -0.25 0.00 0.00 175.52 176.65 3m82 h VAL 282 N 0.27 1.24 -0.47 6.82 2.07 -1.27 -2.81 116.25 122.10 3m82 h VAL 282 Ca -0.19 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.40 3m82 h VAL 282 Cb 1.92 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.90 3m82 h VAL 282 CO 0.24 0.27 -0.06 -0.26 0.02 0.00 0.00 177.57 177.78 3m82 h PHE 283 N 0.31 0.89 -0.44 1.57 0.04 -0.97 -0.33 116.94 118.01 3m82 h PHE 283 Ca 0.09 -0.15 0.05 0.00 2.80 0.00 0.00 57.97 60.75 3m82 h PHE 283 Cb 0.37 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.24 3m82 h PHE 283 CO 0.03 0.85 0.19 0.00 -0.60 0.00 0.00 178.31 178.78 3m82 h ALA 284 N 1.17 0.54 -0.32 2.45 0.00 -1.32 0.26 119.26 122.05 3m82 h ALA 284 Ca 0.13 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3m82 h ALA 284 Cb 0.55 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3m82 h ALA 284 CO 0.03 -0.19 0.02 0.00 0.00 0.00 0.00 179.25 179.11 3m82 h ALA 285 N 1.26 0.43 -0.19 0.00 0.00 -1.24 -2.68 119.26 116.84 3m82 h ALA 285 Ca 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3m82 h ALA 285 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3m82 h ALA 285 CO -0.17 0.17 0.13 -0.92 0.00 0.00 0.00 179.25 178.46 3m82 h TYR 286 N 0.37 0.24 -0.13 0.00 3.20 -0.72 -1.57 116.97 118.35 3m82 h TYR 286 Ca 0.09 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 3m82 h TYR 286 Cb 0.42 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 3m82 h TYR 286 CO 0.03 0.15 -0.13 -0.91 -1.64 0.00 0.00 178.16 175.66 3m82 h ASN 287 N 0.26 0.19 1.02 -2.11 2.35 -0.50 -2.15 115.58 114.64 3m82 h ASN 287 Ca 0.07 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3m82 h ASN 287 Cb -0.03 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.29 3m82 h ASN 287 CO -0.02 0.35 -0.41 -1.22 -1.65 0.00 0.00 177.43 174.49 3m82 n TYR 288 N -4.29 0.60 -1.67 1.19 4.01 -1.01 -4.92 117.16 111.07 3m82 n TYR 288 Ca -0.01 0.17 -0.49 0.00 -0.16 0.00 0.00 57.90 57.42 3m82 n TYR 288 Cb 0.26 -0.70 -0.05 0.00 -0.31 0.00 0.00 39.34 38.54 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 -2.08 2.21 0.99 -0.72 9.36 -0.60 -3.41 117.16 122.90 3m82 n TYR 289 Ca 0.04 0.20 0.11 0.00 3.32 0.00 0.00 57.90 61.57 3m82 n TYR 289 Cb 0.42 -2.57 -0.00 0.00 -0.63 0.00 0.00 39.34 36.56 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 4.95 3.50 -1.99 2.98 0.00 -0.77 -4.93 120.51 124.24 3m82 n ALA 290 Ca 0.20 -0.64 -0.21 0.00 0.00 0.00 0.00 53.44 52.79 3m82 n ALA 290 Cb 0.27 -0.78 0.05 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.43 1.83 0.33 0.00 0.00 -0.25 -4.73 107.32 102.06 3m82 s GLY 291 Ca 0.19 -1.57 -0.29 0.00 0.00 0.00 0.00 44.72 43.04 3m82 s GLY 291 CO 0.55 -1.23 1.51 -1.05 0.00 0.00 0.00 173.10 172.89 3m82 n PRO 292 N -2.33 2.59 -3.70 2.90 -0.02 -1.26 -4.87 135.00 128.32 3m82 n PRO 292 Ca 0.10 0.92 -0.14 0.00 -2.02 0.00 0.00 63.50 62.36 3m82 n PRO 292 Cb 0.60 -2.65 -0.08 0.00 -0.02 0.00 0.00 33.50 31.35 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 -1.22 0.80 0.07 -0.52 -2.85 -1.26 -1.12 119.74 113.64 3m82 s LYS 293 Ca 0.59 -0.17 0.02 0.00 -1.00 0.00 0.00 55.97 55.41 3m82 s LYS 293 Cb -0.51 0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 35.59 3m82 s LYS 293 CO 0.56 -0.24 -0.07 -1.21 0.10 0.00 0.00 175.35 174.49 3m82 s GLU 294 N -1.63 0.71 -0.05 1.78 2.02 -0.66 -4.98 118.70 115.89 3m82 s GLU 294 Ca -0.11 -1.13 0.02 0.00 0.02 0.00 0.00 54.97 53.77 3m82 s GLU 294 Cb -0.03 -0.19 0.01 0.00 0.10 0.00 0.00 34.13 34.02 3m82 s GLU 294 CO 0.03 -0.00 -0.08 -1.50 0.02 0.00 0.00 175.26 173.73 3m82 s ILE 295 N -2.89 0.79 -0.21 -1.63 2.07 -1.26 -0.80 121.20 117.27 3m82 s ILE 295 Ca 0.04 -0.30 -0.13 0.00 -1.41 0.00 0.00 60.65 58.85 3m82 s ILE 295 Cb 0.00 -0.75 -0.05 0.00 0.13 0.00 0.00 42.46 41.80 3m82 s ILE 295 CO -0.03 0.27 0.26 -0.13 -1.91 0.00 0.00 174.94 173.40 3m82 s ARG 296 N 0.66 4.15 -0.15 3.50 1.81 -0.32 -4.97 118.95 123.64 3m82 s ARG 296 Ca -0.11 -0.04 -0.02 0.00 -1.72 0.00 0.00 55.73 53.85 3m82 s ARG 296 Cb -0.14 -3.51 -0.02 0.00 -0.45 0.00 0.00 34.95 30.84 3m82 s ARG 296 CO 0.02 0.08 -0.09 0.42 -0.68 0.00 0.00 175.30 175.04 3m82 s ILE 297 N 0.97 3.35 -0.44 1.52 1.01 -1.26 -1.77 121.20 124.57 3m82 s ILE 297 Ca 0.13 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.27 3m82 s ILE 297 Cb -0.14 -2.44 0.12 0.00 0.01 0.00 0.00 42.46 40.01 3m82 s ILE 297 CO 0.05 0.51 0.18 -0.31 0.00 0.00 0.00 174.94 175.36 3m82 s TYR 298 N 0.46 3.27 0.48 3.97 2.02 -0.23 -4.99 117.35 122.33 3m82 s TYR 298 Ca -0.07 -3.03 0.15 0.00 -0.37 0.00 0.00 57.07 53.75 3m82 s TYR 298 Cb -0.15 -2.77 1.11 0.00 -0.40 0.00 0.00 41.96 39.76 3m82 s TYR 298 CO 0.04 -0.82 2.06 -1.35 -1.57 0.00 0.00 175.55 173.91 3m82 h PRO 299 N 6.95 0.02 -0.19 -1.71 0.11 -1.96 -1.71 132.00 133.51 3m82 h PRO 299 Ca -0.06 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3m82 h PRO 299 Cb 0.94 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3m82 h PRO 299 CO 0.61 0.11 0.00 0.66 -0.21 0.00 0.00 178.00 179.17 3m82 n TYR 300 N -4.43 0.24 -3.77 0.65 4.01 -1.26 -3.98 117.16 108.63 3m82 n TYR 300 Ca -0.03 -0.20 -0.33 0.00 -0.16 0.00 0.00 57.90 57.18 3m82 n TYR 300 Cb 0.17 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.14 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 -1.13 6.47 0.00 7.72 -0.87 -1.15 -4.85 114.94 121.13 3m82 s ASN 301 Ca 0.22 0.51 0.00 0.00 -1.57 0.00 0.00 52.86 52.02 3m82 s ASN 301 Cb 0.14 -2.06 0.00 0.00 -0.02 0.00 0.00 41.25 39.30 3m82 s ASN 301 CO 0.19 0.19 0.00 0.59 -2.57 0.00 0.00 177.10 175.50 3m82 n ASN 302 N 0.70 0.00 0.17 -1.22 4.13 -1.26 -1.35 115.26 116.43 3m82 n ASN 302 Ca -0.08 0.00 0.13 0.00 1.68 0.00 0.00 54.58 56.31 3m82 n ASN 302 Cb 0.52 0.00 0.59 0.00 -1.54 0.00 0.00 39.78 39.35 3m82 n ASN 302 CO 0.00 0.00 0.00 -0.74 0.28 0.00 0.00 177.26 176.80 3m82 h HIS 303 N 0.00 0.00 0.00 3.10 -0.00 -1.92 -1.32 115.15 115.01 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 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.39 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 -0.85 3.37 0.06 1.06 0.00 -0.50 -2.26 105.19 106.07 3m82 n GLY 305 Ca -0.02 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.14 7.00 -0.02 0.00 -1.26 -4.80 105.19 104.97 3m82 n GLY 306 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 1.41 3.09 0.23 -0.02 0.00 -0.96 -1.99 105.19 106.96 3m82 n GLY 307 Ca 0.09 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 0.27 0.00 -0.51 1.61 0.02 -1.95 -2.61 113.55 110.38 3m82 h SER 308 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3m82 h SER 308 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3m82 h SER 308 CO 0.00 0.18 0.25 -0.26 -1.14 0.00 0.00 176.83 175.86 3m82 h PHE 309 N 0.00 0.74 -0.34 3.45 -1.00 -1.83 -2.90 116.94 115.06 3m82 h PHE 309 Ca -0.00 -0.04 -0.09 0.00 2.81 0.00 0.00 57.97 60.65 3m82 h PHE 309 Cb 0.75 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 40.06 3m82 h PHE 309 CO 0.00 0.58 -0.16 0.37 -1.61 0.00 0.00 178.31 177.49 3m82 h GLN 310 N 0.68 0.61 -0.97 1.51 5.75 -1.15 -2.49 115.11 119.06 3m82 h GLN 310 Ca 0.18 -0.20 0.04 0.00 -0.15 0.00 0.00 58.65 58.51 3m82 h GLN 310 Cb 0.12 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.56 3m82 h GLN 310 CO -0.02 0.74 0.63 0.00 -2.65 0.00 0.00 178.83 177.53 3m82 h ALA 311 N 1.28 1.28 -0.33 3.38 0.00 -1.44 -0.04 119.26 123.40 3m82 h ALA 311 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3m82 h ALA 311 Cb 0.59 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3m82 h ALA 311 CO 0.04 0.51 0.18 0.28 0.00 0.00 0.00 179.25 180.26 3m82 h VAL 312 N 1.22 1.14 -1.00 0.00 2.07 -1.37 -2.51 116.25 115.79 3m82 h VAL 312 Ca 0.39 -0.37 0.08 0.00 0.82 0.00 0.00 66.70 67.62 3m82 h VAL 312 Cb 0.01 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 30.49 3m82 h VAL 312 CO -0.12 0.14 0.64 -0.33 0.02 0.00 0.00 177.57 177.92 3m82 h GLU 313 N 0.40 1.08 -0.32 1.57 4.39 -0.80 -2.25 114.58 118.65 3m82 h GLU 313 Ca 0.11 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.60 3m82 h GLU 313 Cb 0.07 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.47 3m82 h GLU 313 CO -0.02 0.71 -0.38 1.96 -1.16 0.00 0.00 179.01 180.12 3m82 h GLN 314 N 1.11 0.83 -0.52 2.33 4.20 -0.87 -0.13 115.11 122.06 3m82 h GLN 314 Ca 0.45 -0.46 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 3m82 h GLN 314 Cb 0.27 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3m82 h GLN 314 CO -0.20 1.10 0.18 0.28 -0.67 0.00 0.00 178.83 179.52 3m82 h VAL 315 N 0.61 1.23 -0.56 -0.54 2.07 -1.28 -2.24 116.25 115.54 3m82 h VAL 315 Ca 0.04 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 3m82 h VAL 315 Cb 0.98 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 3m82 h VAL 315 CO 0.09 0.27 0.07 0.11 0.02 0.00 0.00 177.57 178.13 3m82 h LYS 316 N 0.70 0.94 -0.52 1.57 1.57 -1.35 -2.43 116.57 117.05 3m82 h LYS 316 Ca 0.17 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3m82 h LYS 316 Cb 0.24 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3m82 h LYS 316 CO -0.01 0.92 0.31 0.35 -0.57 0.00 0.00 179.45 180.45 3m82 h PHE 317 N 0.83 0.69 -0.07 -1.35 3.57 -0.94 -2.49 116.94 117.18 3m82 h PHE 317 Ca 0.17 -0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.45 3m82 h PHE 317 Cb 0.45 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.97 3m82 h PHE 317 CO 0.03 0.48 -0.83 -0.07 -2.23 0.00 0.00 178.31 175.70 3m82 h LEU 318 N 0.69 0.68 -0.19 0.59 3.38 -1.43 -0.96 115.31 118.08 3m82 h LEU 318 Ca 0.19 -0.48 0.02 0.00 0.09 0.00 0.00 57.88 57.69 3m82 h LEU 318 Cb 0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3m82 h LEU 318 CO -0.03 1.26 0.08 0.50 0.09 0.00 0.00 178.44 180.33 3m82 h LYS 319 N 0.36 0.17 -0.45 1.13 3.64 -1.39 -1.71 116.57 118.31 3m82 h LYS 319 Ca -0.06 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 3m82 h LYS 319 Cb 1.44 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.21 3m82 h LYS 319 CO 0.15 0.11 0.14 -0.22 -2.27 0.00 0.00 179.45 177.36 3m82 h LYS 320 N 0.17 0.71 -0.58 1.90 3.64 -1.46 -2.67 116.57 118.29 3m82 h LYS 320 Ca 0.08 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3m82 h LYS 320 Cb 0.04 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 3m82 h LYS 320 CO -0.07 0.68 0.35 1.25 -2.27 0.00 0.00 179.45 179.38 3m82 h LEU 321 N 0.60 0.55 -0.95 5.20 5.85 -1.03 -3.04 115.31 122.48 3m82 h LEU 321 Ca 0.15 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3m82 h LEU 321 Cb 0.27 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3m82 h LEU 321 CO -0.00 0.38 0.00 0.49 -0.34 0.00 0.00 178.44 178.97 3m82 n PHE 322 N -4.77 0.01 1.75 1.25 3.72 -0.65 -5.09 117.46 113.68 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 0.09 0.00 0.83 0.00 -0.94 0.00 0.00 39.48 39.47 3m82 n PHE 322 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10