#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 0.00 -3.36 1.38 -1.74 -1.26 -4.98 117.46 107.50 3m82 n PHE 4 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 3m82 n PHE 4 Cb 0.00 -0.08 0.00 0.00 1.52 0.00 0.00 39.48 40.92 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 -1.28 0.76 -4.73 5.98 -0.08 -1.26 -5.08 116.55 110.86 3m82 n ASP 5 Ca 0.06 -0.99 -0.38 0.00 -1.51 0.00 0.00 54.79 51.97 3m82 n ASP 5 Cb 0.35 0.00 0.06 0.00 2.34 0.00 0.00 41.12 43.87 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 5.65 -4.71 -2.67 4.77 -1.26 -4.96 117.00 113.82 3m82 n LEU 6 Ca 0.00 0.89 -0.34 0.00 -0.03 0.00 0.00 56.01 56.53 3m82 n LEU 6 Cb 0.00 -1.55 0.11 0.00 -2.33 0.00 0.00 43.42 39.65 3m82 n LEU 6 CO 0.00 -0.88 0.79 -2.84 -1.33 0.00 0.00 177.39 173.13 3m82 s PRO 7 N -3.11 1.84 0.39 3.23 0.02 -1.26 -4.66 135.00 131.45 3m82 s PRO 7 Ca 0.77 1.79 0.06 0.00 0.02 0.00 0.00 61.00 63.65 3m82 s PRO 7 Cb -0.40 -1.79 0.80 0.00 0.02 0.00 0.00 34.50 33.13 3m82 s PRO 7 CO 0.45 -2.07 2.05 1.25 -0.33 0.00 0.00 177.00 178.34 3m82 h LEU 8 N -0.62 0.53 -1.25 -5.54 5.85 -1.98 -0.07 115.31 112.23 3m82 h LEU 8 Ca -0.47 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.19 3m82 h LEU 8 Cb 1.30 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 3m82 h LEU 8 CO 0.48 0.39 0.03 -0.33 -0.34 0.00 0.00 178.44 178.67 3m82 h GLU 9 N 0.63 0.54 0.04 1.25 3.07 -2.00 -1.37 114.58 116.75 3m82 h GLU 9 Ca 0.17 -0.11 -0.18 0.00 -0.50 0.00 0.00 59.36 58.75 3m82 h GLU 9 Cb -0.07 -0.08 0.02 0.00 -0.84 0.00 0.00 28.75 27.77 3m82 h GLU 9 CO -0.04 0.54 -0.71 0.93 -1.40 0.00 0.00 179.01 178.33 3m82 h GLU 10 N 0.53 0.41 -0.89 2.33 5.08 -1.59 -3.31 114.58 117.14 3m82 h GLU 10 Ca 0.12 -0.50 0.15 0.00 -1.00 0.00 0.00 59.36 58.13 3m82 h GLU 10 Cb 0.29 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.60 3m82 h GLU 10 CO 0.01 1.17 0.49 -0.07 -1.00 0.00 0.00 179.01 179.60 3m82 h LEU 11 N -0.12 0.61 -2.34 1.33 3.38 -0.86 -0.83 115.31 116.48 3m82 h LEU 11 Ca -0.10 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3m82 h LEU 11 Cb 1.45 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 3m82 h LEU 11 CO 0.14 0.26 -0.01 0.11 0.09 0.00 0.00 178.44 179.02 3m82 h LYS 12 N 0.69 0.00 -0.01 1.13 1.57 -1.34 -2.42 116.57 116.19 3m82 h LYS 12 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 3m82 h LYS 12 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3m82 h LYS 12 CO -0.35 0.01 -0.23 1.63 -0.57 0.00 0.00 179.45 179.94 3m82 n LYS 13 N -3.17 1.66 -2.18 3.15 5.02 -0.50 -5.01 118.16 117.12 3m82 n LYS 13 Ca -0.02 -0.87 -0.43 0.00 -2.02 0.00 0.00 58.31 54.98 3m82 n LYS 13 Cb 0.17 -1.22 -0.02 0.00 -0.02 0.00 0.00 35.03 33.93 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 -1.61 2.14 -0.39 2.13 5.04 -0.43 -4.90 117.35 119.32 3m82 s TYR 14 Ca 0.13 0.64 0.08 0.00 -2.44 0.00 0.00 57.07 55.48 3m82 s TYR 14 Cb 0.11 -4.17 0.26 0.00 0.35 0.00 0.00 41.96 38.52 3m82 s TYR 14 CO 0.32 -2.51 0.54 -2.13 -1.34 0.00 0.00 175.55 170.43 3m82 n ARG 15 N 8.10 0.73 -1.43 4.97 0.63 -1.26 -4.34 116.66 124.07 3m82 n ARG 15 Ca 0.19 -3.22 -0.34 0.00 -0.92 0.00 0.00 57.85 53.56 3m82 n ARG 15 Cb 0.47 -1.25 0.09 0.00 0.45 0.00 0.00 32.46 32.22 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 -1.27 2.17 0.22 -0.14 0.04 -1.26 -4.90 135.00 129.86 3m82 s PRO 16 Ca 0.35 1.66 -0.32 0.00 0.04 0.00 0.00 61.00 62.73 3m82 s PRO 16 Cb 0.18 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.76 3m82 s PRO 16 CO -0.11 -1.79 1.69 -2.00 0.04 0.00 0.00 177.00 174.83 3m82 s GLU 17 N -4.03 4.13 0.29 4.56 2.12 -1.26 -4.96 118.70 119.54 3m82 s GLU 17 Ca 0.72 2.59 -0.21 0.00 0.36 0.00 0.00 54.97 58.43 3m82 s GLU 17 Cb -0.27 -3.07 -0.09 0.00 0.26 0.00 0.00 34.13 30.96 3m82 s GLU 17 CO 0.46 -0.72 0.82 1.03 -0.54 0.00 0.00 175.26 176.30 3m82 s ARG 18 N 0.86 4.32 -0.15 4.30 0.52 -1.26 -5.07 118.95 122.48 3m82 s ARG 18 Ca 0.72 1.01 0.01 0.00 -0.52 0.00 0.00 55.73 56.96 3m82 s ARG 18 Cb -0.49 -2.72 0.02 0.00 0.52 0.00 0.00 34.95 32.27 3m82 s ARG 18 CO 0.35 0.28 -0.17 -0.47 0.02 0.00 0.00 175.30 175.31 3m82 s TYR 19 N -1.68 2.35 0.06 -0.53 5.04 -1.26 -5.12 117.35 116.21 3m82 s TYR 19 Ca 0.49 -1.27 -0.12 0.00 -2.44 0.00 0.00 57.07 53.73 3m82 s TYR 19 Cb -0.16 -1.67 0.01 0.00 0.35 0.00 0.00 41.96 40.50 3m82 s TYR 19 CO 0.21 -0.65 0.26 -1.83 -1.34 0.00 0.00 175.55 172.20 3m82 s GLU 20 N 1.22 0.83 0.70 4.97 -1.05 -1.26 -4.84 118.70 119.26 3m82 s GLU 20 Ca 0.00 -0.68 -0.11 0.00 -0.15 0.00 0.00 54.97 54.03 3m82 s GLU 20 Cb -0.14 0.35 0.01 0.00 -0.44 0.00 0.00 34.13 33.91 3m82 s GLU 20 CO -0.08 -0.27 1.06 -1.21 0.95 0.00 0.00 175.26 175.72 3m82 s GLU 21 N -3.07 2.91 0.37 -4.83 0.41 -1.26 -4.96 118.70 108.27 3m82 s GLU 21 Ca -0.01 0.91 0.27 0.00 -0.41 0.00 0.00 54.97 55.73 3m82 s GLU 21 Cb 0.01 -1.99 1.00 0.00 -1.78 0.00 0.00 34.13 31.37 3m82 s GLU 21 CO -0.07 -1.11 1.80 1.57 -0.49 0.00 0.00 175.26 176.97 3m82 h LYS 22 N -0.72 0.00 -0.72 1.61 2.10 -2.04 -2.79 116.57 114.02 3m82 h LYS 22 Ca -0.44 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.10 3m82 h LYS 22 Cb 1.21 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.48 3m82 h LYS 22 CO 0.57 0.00 0.14 -0.40 -2.00 0.00 0.00 179.45 177.76 3m82 n ASP 23 N -2.64 4.87 -0.06 7.07 5.75 -1.26 -4.66 116.55 125.62 3m82 n ASP 23 Ca 0.02 -2.97 -0.09 0.00 -0.01 0.00 0.00 54.79 51.75 3m82 n ASP 23 Cb 0.33 -0.70 -0.02 0.00 -1.03 0.00 0.00 41.12 39.70 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 2.94 -0.77 -0.26 2.11 3.04 -1.88 0.47 116.94 122.59 3m82 h PHE 24 Ca 0.13 0.04 -0.11 0.00 3.98 0.00 0.00 57.97 62.01 3m82 h PHE 24 Cb 2.02 0.38 -0.01 0.00 2.56 0.00 0.00 35.95 40.90 3m82 h PHE 24 CO 1.08 -0.36 -0.31 -0.44 -2.02 0.00 0.00 178.31 176.26 3m82 h ASP 25 N -0.28 0.55 -0.33 0.41 3.32 -1.87 -2.81 116.42 115.40 3m82 h ASP 25 Ca 0.14 -0.21 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 3m82 h ASP 25 Cb 0.50 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3m82 h ASP 25 CO -0.42 0.83 -0.14 -0.33 -1.72 0.00 0.00 179.24 177.45 3m82 h GLU 26 N 0.46 0.69 -0.54 3.56 3.07 -1.80 -0.34 114.58 119.67 3m82 h GLU 26 Ca 0.06 -0.29 0.09 0.00 -0.50 0.00 0.00 59.36 58.71 3m82 h GLU 26 Cb 0.77 -0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 28.59 3m82 h GLU 26 CO 0.06 0.89 0.14 0.35 -1.40 0.00 0.00 179.01 179.05 3m82 h PHE 27 N 0.46 0.24 -0.10 4.33 3.57 -0.82 -1.81 116.94 122.81 3m82 h PHE 27 Ca 0.08 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.40 3m82 h PHE 27 Cb 0.67 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.39 3m82 h PHE 27 CO 0.06 0.02 -0.79 -1.49 -2.23 0.00 0.00 178.31 173.88 3m82 h TRP 28 N 0.29 0.81 -0.14 0.41 4.06 -1.22 -1.79 115.95 118.37 3m82 h TRP 28 Ca 0.27 -0.37 0.01 0.00 2.06 0.00 0.00 58.89 60.86 3m82 h TRP 28 Cb 0.36 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 28.39 3m82 h TRP 28 CO -0.21 1.17 0.08 0.93 -3.56 0.00 0.00 178.44 176.85 3m82 h GLU 29 N 0.39 0.16 -0.59 0.49 5.08 -0.99 -1.17 114.58 117.96 3m82 h GLU 29 Ca -0.05 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3m82 h GLU 29 Cb 1.40 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.59 3m82 h GLU 29 CO 0.15 0.10 0.27 0.93 -1.00 0.00 0.00 179.01 179.46 3m82 h GLU 30 N 0.16 0.85 0.04 2.33 5.08 -1.36 -0.22 114.58 121.46 3m82 h GLU 30 Ca 0.06 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3m82 h GLU 30 Cb 0.00 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3m82 h GLU 30 CO -0.03 0.71 -0.12 1.15 -1.00 0.00 0.00 179.01 179.72 3m82 h THR 31 N 0.80 0.72 -0.37 1.13 2.02 -1.13 -0.91 112.91 115.17 3m82 h THR 31 Ca 0.20 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.31 3m82 h THR 31 Cb 0.15 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3m82 h THR 31 CO -0.02 0.00 -0.06 -0.07 0.37 0.00 0.00 175.52 175.74 3m82 h LEU 32 N -0.22 0.69 -0.52 2.58 3.38 -1.18 -2.60 115.31 117.44 3m82 h LEU 32 Ca 0.03 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.66 3m82 h LEU 32 Cb 0.25 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3m82 h LEU 32 CO -0.09 0.87 0.34 0.00 0.09 0.00 0.00 178.44 179.66 3m82 h ALA 33 N 0.84 0.66 -0.87 1.53 0.00 -0.96 -1.10 119.26 119.37 3m82 h ALA 33 Ca 0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3m82 h ALA 33 Cb 0.55 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3m82 h ALA 33 CO 0.03 0.10 0.53 0.93 0.00 0.00 0.00 179.25 180.84 3m82 h GLU 34 N 0.71 1.17 0.00 0.00 5.08 -1.12 -3.02 114.58 117.40 3m82 h GLU 34 Ca 0.19 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 3m82 h GLU 34 Cb -0.08 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 28.90 3m82 h GLU 34 CO -0.04 0.81 -0.67 0.77 -1.00 0.00 0.00 179.01 178.88 3m82 h SER 35 N 1.19 0.00 0.79 1.42 0.02 -1.17 -3.10 113.55 112.69 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 -0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.48 3m82 h SER 35 CO -0.06 0.67 0.00 -0.62 -1.14 0.00 0.00 176.83 175.68 3m82 n GLU 36 N -3.73 0.17 0.19 3.45 1.02 -0.44 -2.70 120.64 118.59 3m82 n GLU 36 Ca -0.01 0.36 0.14 0.00 -0.02 0.00 0.00 57.16 57.63 3m82 n GLU 36 Cb 0.66 -1.80 0.56 0.00 -0.02 0.00 0.00 31.44 30.85 3m82 n GLU 36 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3m82 h LYS 37 N 0.00 0.00 -6.01 3.49 1.57 -1.47 -3.42 116.57 110.72 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 0.39 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 3m82 h LYS 37 CO 0.00 0.00 -0.25 -0.06 -0.57 0.00 0.00 179.45 178.57 3m82 s PHE 38 N -3.45 3.66 0.39 -1.35 0.40 -1.10 -5.06 117.98 111.48 3m82 s PHE 38 Ca 0.03 0.86 -0.27 0.00 -0.60 0.00 0.00 56.93 56.95 3m82 s PHE 38 Cb 0.09 -2.20 -0.10 0.00 0.51 0.00 0.00 43.02 41.33 3m82 s PHE 38 CO 0.47 0.61 1.41 -2.14 0.70 0.00 0.00 175.22 176.26 3m82 s PRO 39 N -1.40 4.02 0.20 0.24 0.02 -1.26 -4.92 135.00 131.89 3m82 s PRO 39 Ca 0.26 2.39 -0.11 0.00 0.02 0.00 0.00 61.00 63.57 3m82 s PRO 39 Cb -0.15 -2.87 0.23 0.00 0.02 0.00 0.00 34.50 31.73 3m82 s PRO 39 CO 0.14 -0.54 1.74 1.25 -0.33 0.00 0.00 177.00 179.27 3m82 h LEU 40 N 2.83 0.20 -3.01 -5.54 5.85 -1.91 -3.42 115.31 110.31 3m82 h LEU 40 Ca -0.50 0.07 -0.49 0.00 0.84 0.00 0.00 57.88 57.80 3m82 h LEU 40 Cb 1.24 0.05 0.02 0.00 0.37 0.00 0.00 40.66 42.35 3m82 h LEU 40 CO 0.63 0.13 -0.94 0.47 -0.34 0.00 0.00 178.44 178.39 3m82 n ASP 41 N -5.00 -3.62 -4.77 1.25 8.00 -1.26 -1.00 116.55 110.15 3m82 n ASP 41 Ca 0.07 -1.09 -0.40 0.00 0.71 0.00 0.00 54.79 54.08 3m82 n ASP 41 Cb 0.24 -2.88 -0.03 0.00 -0.02 0.00 0.00 41.12 38.44 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 -6.48 4.44 -0.10 -0.24 0.04 -1.26 -4.49 135.00 126.92 3m82 s PRO 42 Ca 0.35 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.44 3m82 s PRO 42 Cb -0.14 -3.09 0.02 0.00 0.04 0.00 0.00 34.50 31.33 3m82 s PRO 42 CO 0.90 -0.05 -0.06 0.08 0.04 0.00 0.00 177.00 177.90 3m82 s VAL 43 N -1.16 0.87 -0.18 -0.36 1.01 0.16 -5.01 120.40 115.73 3m82 s VAL 43 Ca 0.48 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.25 3m82 s VAL 43 Cb -0.37 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.12 3m82 s VAL 43 CO 0.48 0.34 -0.18 -0.36 0.00 0.00 0.00 175.10 175.38 3m82 s PHE 44 N 1.61 2.79 -0.19 5.22 0.08 -1.26 -1.82 117.98 124.40 3m82 s PHE 44 Ca 0.02 -1.42 0.00 0.00 0.12 0.00 0.00 56.93 55.65 3m82 s PHE 44 Cb -0.13 -1.92 0.04 0.00 -0.57 0.00 0.00 43.02 40.44 3m82 s PHE 44 CO -0.06 -0.70 -0.08 -2.00 -0.10 0.00 0.00 175.22 172.28 3m82 s GLU 45 N 1.18 1.83 0.26 0.44 2.56 -0.57 -4.95 118.70 119.45 3m82 s GLU 45 Ca 0.02 -0.76 -0.30 0.00 0.00 0.00 0.00 54.97 53.93 3m82 s GLU 45 Cb -0.14 -2.31 -0.10 0.00 2.00 0.00 0.00 34.13 33.58 3m82 s GLU 45 CO -0.08 -0.44 1.46 0.50 -0.56 0.00 0.00 175.26 176.13 3m82 s ARG 46 N 1.47 4.25 0.01 4.30 3.52 -1.26 -0.68 118.95 130.55 3m82 s ARG 46 Ca -0.01 2.34 -0.02 0.00 -0.13 0.00 0.00 55.73 57.92 3m82 s ARG 46 Cb -0.16 -3.09 -0.04 0.00 -1.56 0.00 0.00 34.95 30.10 3m82 s ARG 46 CO -0.08 -0.44 0.17 -1.64 -0.81 0.00 0.00 175.30 172.50 3m82 s MET 47 N -0.52 3.38 0.02 5.12 -1.94 -0.13 -4.89 119.30 120.33 3m82 s MET 47 Ca 0.59 -0.38 -0.30 0.00 -1.71 0.00 0.00 55.69 53.89 3m82 s MET 47 Cb -0.43 -3.05 -0.05 0.00 2.01 0.00 0.00 34.83 33.31 3m82 s MET 47 CO 0.45 0.66 1.30 -1.21 -0.01 0.00 0.00 175.02 176.21 3m82 s GLU 48 N -2.04 4.34 0.05 2.03 2.02 -1.26 -4.74 118.70 119.09 3m82 s GLU 48 Ca 0.28 1.87 -0.16 0.00 0.02 0.00 0.00 54.97 56.98 3m82 s GLU 48 Cb -0.13 -3.47 0.03 0.00 0.10 0.00 0.00 34.13 30.66 3m82 s GLU 48 CO 0.20 -0.45 0.37 0.45 0.02 0.00 0.00 175.26 175.85 3m82 s SER 49 N 1.49 -0.22 0.00 -0.19 0.15 -1.26 -5.02 113.70 108.65 3m82 s SER 49 Ca 0.61 -0.09 0.27 0.00 0.70 0.00 0.00 55.95 57.44 3m82 s SER 49 Cb -0.30 0.40 0.87 0.00 -1.71 0.00 0.00 66.02 65.28 3m82 s SER 49 CO 0.27 -0.65 1.67 1.41 1.20 0.00 0.00 173.24 177.14 3m82 n HIS 50 N 0.52 0.00 -1.83 3.44 8.25 -1.26 -4.90 115.22 119.43 3m82 n HIS 50 Ca -0.18 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.86 3m82 n HIS 50 Cb 0.60 -0.36 -0.01 0.00 1.12 0.00 0.00 29.99 31.33 3m82 n HIS 50 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3m82 s LEU 51 N -2.97 4.35 -0.05 2.41 1.43 -1.26 -4.94 118.68 117.64 3m82 s LEU 51 Ca 0.13 2.91 0.07 0.00 -1.03 0.00 0.00 54.13 56.21 3m82 s LEU 51 Cb 0.18 -3.64 -0.10 0.00 0.03 0.00 0.00 46.19 42.67 3m82 s LEU 51 CO 0.61 -0.86 0.06 0.29 0.23 0.00 0.00 176.35 176.69 3m82 n LYS 52 N 1.84 2.13 0.00 1.70 4.76 -1.26 -4.66 118.16 122.66 3m82 n LYS 52 Ca 0.06 -0.02 0.11 0.00 -2.87 0.00 0.00 58.31 55.59 3m82 n LYS 52 Cb 0.38 -1.18 0.12 0.00 -1.84 0.00 0.00 35.03 32.51 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 -4.07 -0.18 -2.24 -1.26 -4.93 114.28 99.47 3m82 n THR 53 Ca -0.09 -0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.51 3m82 n THR 53 Cb 0.59 0.65 -0.12 0.00 -2.10 0.00 0.00 70.33 69.34 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 -2.85 0.42 -0.13 2.28 1.01 -1.26 -0.63 120.40 119.23 3m82 s VAL 54 Ca 0.13 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 3m82 s VAL 54 Cb 0.17 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 36.06 3m82 s VAL 54 CO 0.71 -0.22 0.23 -1.61 0.00 0.00 0.00 175.10 174.21 3m82 s GLU 55 N -1.02 3.95 -0.11 2.72 2.02 0.86 -4.85 118.70 122.28 3m82 s GLU 55 Ca -0.06 0.00 -0.00 0.00 0.02 0.00 0.00 54.97 54.93 3m82 s GLU 55 Cb -0.07 -3.33 -0.02 0.00 0.10 0.00 0.00 34.13 30.81 3m82 s GLU 55 CO 0.00 0.48 -0.10 0.00 0.02 0.00 0.00 175.26 175.66 3m82 s ALA 56 N -0.21 2.78 -0.00 5.21 0.00 -1.26 -0.98 121.76 127.30 3m82 s ALA 56 Ca 0.15 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.31 3m82 s ALA 56 Cb -0.13 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 3m82 s ALA 56 CO 0.04 0.35 -0.25 0.71 0.00 0.00 0.00 175.76 176.61 3m82 s TYR 57 N -0.02 2.22 -0.16 0.00 1.51 -0.15 -0.96 117.35 119.78 3m82 s TYR 57 Ca -0.02 -0.41 -0.29 0.00 -1.01 0.00 0.00 57.07 55.33 3m82 s TYR 57 Cb -0.14 -1.40 -0.00 0.00 -0.11 0.00 0.00 41.96 40.31 3m82 s TYR 57 CO 0.03 0.00 1.08 0.34 -1.11 0.00 0.00 175.55 175.90 3m82 s ASP 58 N -0.76 7.11 -0.07 2.29 2.15 0.15 -1.35 116.67 126.20 3m82 s ASP 58 Ca 0.10 1.52 -0.02 0.00 0.43 0.00 0.00 52.55 54.59 3m82 s ASP 58 Cb -0.10 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.94 3m82 s ASP 58 CO -0.00 -0.61 0.01 -0.69 -0.17 0.00 0.00 175.17 173.71 3m82 s VAL 59 N 2.78 4.36 -0.01 1.11 1.01 -0.65 -1.51 120.40 127.49 3m82 s VAL 59 Ca 0.48 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.18 3m82 s VAL 59 Cb -0.18 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.35 3m82 s VAL 59 CO 0.13 0.56 -0.01 -0.89 0.00 0.00 0.00 175.10 174.89 3m82 s THR 60 N -0.93 0.12 0.15 3.92 2.01 -0.76 -1.79 115.64 118.37 3m82 s THR 60 Ca 0.15 -0.01 -0.12 0.00 0.31 0.00 0.00 61.69 62.02 3m82 s THR 60 Cb -0.11 -0.15 0.01 0.00 0.01 0.00 0.00 72.50 72.25 3m82 s THR 60 CO 0.04 0.07 0.33 0.72 -0.69 0.00 0.00 174.62 175.09 3m82 s PHE 61 N 0.32 0.15 -0.28 4.92 -0.71 -0.73 -0.67 117.98 120.98 3m82 s PHE 61 Ca -0.03 -0.51 -0.19 0.00 -1.04 0.00 0.00 56.93 55.16 3m82 s PHE 61 Cb -0.05 0.09 -0.02 0.00 -1.21 0.00 0.00 43.02 41.83 3m82 s PHE 61 CO -0.01 -0.72 0.56 -1.12 -1.34 0.00 0.00 175.22 172.59 3m82 s SER 62 N -2.90 6.46 0.00 1.98 0.01 -0.17 -0.39 113.70 118.69 3m82 s SER 62 Ca 0.11 0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.85 3m82 s SER 62 Cb 0.02 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.95 3m82 s SER 62 CO -0.05 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 173.85 3m82 n GLY 63 N 4.39 0.44 3.68 3.44 0.00 0.53 -4.78 105.19 112.89 3m82 n GLY 63 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 2.70 2.05 -1.55 1.61 5.04 -1.26 -3.64 117.35 122.30 3m82 s TYR 64 Ca 0.00 0.03 -0.07 0.00 -2.44 0.00 0.00 57.07 54.59 3m82 s TYR 64 Cb 0.00 -4.09 0.06 0.00 0.35 0.00 0.00 41.96 38.29 3m82 s TYR 64 CO 0.00 -4.55 0.49 0.54 -1.34 0.00 0.00 175.55 170.69 3m82 n ARG 65 N 6.19 -2.81 -0.96 4.97 1.74 -1.26 -1.25 116.66 123.28 3m82 n ARG 65 Ca 0.17 0.34 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 3m82 n ARG 65 Cb 0.40 -4.59 0.00 0.00 -1.02 0.00 0.00 32.46 27.25 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 -1.84 0.43 3.76 -0.13 0.00 -1.24 -4.99 105.19 101.18 3m82 n GLY 66 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.55 4.71 -0.24 1.61 -0.21 -0.38 -4.71 119.66 119.88 3m82 s GLN 67 Ca 0.00 1.71 -0.21 0.00 0.02 0.00 0.00 55.36 56.88 3m82 s GLN 67 Cb 0.00 -3.22 -0.02 0.00 1.00 0.00 0.00 33.01 30.77 3m82 s GLN 67 CO 0.00 0.31 0.66 1.03 -2.12 0.00 0.00 175.29 175.17 3m82 s ARG 68 N -1.35 4.14 -0.09 2.91 1.81 -1.26 -0.35 118.95 124.76 3m82 s ARG 68 Ca 0.43 0.62 0.02 0.00 -1.72 0.00 0.00 55.73 55.08 3m82 s ARG 68 Cb -0.30 -3.63 -0.02 0.00 -0.45 0.00 0.00 34.95 30.55 3m82 s ARG 68 CO 0.38 -0.39 -0.15 0.42 -0.68 0.00 0.00 175.30 174.88 3m82 s ILE 69 N 2.44 2.97 0.53 1.52 -1.09 0.48 -4.83 121.20 123.22 3m82 s ILE 69 Ca 0.28 -0.73 -0.04 0.00 -2.23 0.00 0.00 60.65 57.93 3m82 s ILE 69 Cb -0.16 -2.20 -0.01 0.00 -1.58 0.00 0.00 42.46 38.52 3m82 s ILE 69 CO 0.09 0.56 0.83 -0.54 -1.23 0.00 0.00 174.94 174.64 3m82 s LYS 70 N -0.17 3.11 0.18 2.79 -0.14 -1.26 -1.77 119.74 122.47 3m82 s LYS 70 Ca -0.01 -0.05 -0.23 0.00 -1.36 0.00 0.00 55.97 54.33 3m82 s LYS 70 Cb -0.13 -2.35 0.08 0.00 -1.68 0.00 0.00 37.83 33.74 3m82 s LYS 70 CO 0.03 -0.49 1.03 0.20 -0.76 0.00 0.00 175.35 175.37 3m82 s GLY 71 N -4.24 0.04 0.08 -3.33 0.00 -0.74 -2.22 107.32 96.91 3m82 s GLY 71 Ca 0.51 -0.22 0.09 0.00 0.00 0.00 0.00 44.72 45.10 3m82 s GLY 71 CO 0.44 1.87 -0.23 -0.98 0.00 0.00 0.00 173.10 174.20 3m82 s TRP 72 N -2.39 2.03 -0.13 1.90 0.23 -0.48 -1.63 118.94 118.47 3m82 s TRP 72 Ca 0.20 -0.39 0.02 0.00 -2.03 0.00 0.00 56.10 53.89 3m82 s TRP 72 Cb -0.02 -1.16 0.01 0.00 0.03 0.00 0.00 33.47 32.33 3m82 s TRP 72 CO 0.05 0.19 -0.19 -1.17 0.96 0.00 0.00 176.95 176.78 3m82 s LEU 73 N -1.59 1.94 -0.24 2.99 2.96 -0.45 -0.61 118.68 123.67 3m82 s LEU 73 Ca 0.10 -0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 53.42 3m82 s LEU 73 Cb -0.10 -1.30 -0.01 0.00 0.50 0.00 0.00 46.19 45.29 3m82 s LEU 73 CO 0.03 0.04 -0.00 -0.76 -1.32 0.00 0.00 176.35 174.34 3m82 s LEU 74 N 0.98 3.16 -0.32 -0.68 1.43 -0.17 -0.98 118.68 122.09 3m82 s LEU 74 Ca -0.05 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.59 3m82 s LEU 74 Cb -0.15 -1.79 0.06 0.00 0.03 0.00 0.00 46.19 44.34 3m82 s LEU 74 CO -0.04 -0.06 0.05 -0.69 0.23 0.00 0.00 176.35 175.84 3m82 s VAL 75 N 1.50 3.16 0.40 -1.59 1.01 -0.15 -1.00 120.40 123.73 3m82 s VAL 75 Ca 0.05 -1.44 -0.26 0.00 0.00 0.00 0.00 61.98 60.33 3m82 s VAL 75 Cb -0.15 -2.87 -0.09 0.00 0.00 0.00 0.00 36.38 33.28 3m82 s VAL 75 CO -0.01 -0.20 1.33 -2.16 0.00 0.00 0.00 175.10 174.05 3m82 s PRO 76 N 1.26 3.96 -0.91 2.72 0.04 -1.26 -0.10 135.00 140.71 3m82 s PRO 76 Ca -0.03 2.22 -0.24 0.00 0.04 0.00 0.00 61.00 62.99 3m82 s PRO 76 Cb -0.20 -2.78 0.02 0.00 0.04 0.00 0.00 34.50 31.58 3m82 s PRO 76 CO -0.01 -0.52 1.57 0.15 0.04 0.00 0.00 177.00 178.23 3m82 s LYS 77 N -2.23 3.20 0.11 4.56 1.02 0.20 -4.86 119.74 121.74 3m82 s LYS 77 Ca 0.57 -0.64 0.04 0.00 0.02 0.00 0.00 55.97 55.95 3m82 s LYS 77 Cb -0.39 -5.02 -0.04 0.00 -0.52 0.00 0.00 37.83 31.86 3m82 s LYS 77 CO 0.51 -2.52 -0.10 -0.51 -0.92 0.00 0.00 175.35 171.81 3m82 s LEU 78 N 6.63 2.43 0.48 3.17 1.43 -1.26 -5.01 118.68 126.55 3m82 s LEU 78 Ca 0.51 -0.86 0.29 0.00 -1.03 0.00 0.00 54.13 53.05 3m82 s LEU 78 Cb -0.04 -0.30 0.92 0.00 0.03 0.00 0.00 46.19 46.80 3m82 s LEU 78 CO -0.01 -0.28 1.82 -0.33 0.23 0.00 0.00 176.35 177.77 3m82 h GLU 79 N 3.40 0.00 -6.66 1.70 5.08 -2.03 -3.45 114.58 112.63 3m82 h GLU 79 Ca -0.37 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.46 3m82 h GLU 79 Cb 1.19 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.49 3m82 h GLU 79 CO 0.55 0.00 0.86 -2.00 -1.00 0.00 0.00 179.01 177.42 3m82 s GLU 80 N -3.45 4.21 0.17 2.33 2.12 -1.26 -4.94 118.70 117.89 3m82 s GLU 80 Ca 0.04 2.38 0.08 0.00 0.36 0.00 0.00 54.97 57.83 3m82 s GLU 80 Cb 0.08 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 3m82 s GLU 80 CO 0.59 -0.58 1.38 0.93 -0.54 0.00 0.00 175.26 177.04 3m82 h GLU 81 N 6.24 0.00 -5.13 4.30 3.07 -1.94 -3.42 114.58 117.70 3m82 h GLU 81 Ca -0.44 0.00 -0.58 0.00 -0.50 0.00 0.00 59.36 57.84 3m82 h GLU 81 Cb 1.21 0.00 -0.32 0.00 -0.84 0.00 0.00 28.75 28.80 3m82 h GLU 81 CO 0.88 0.88 -0.84 0.15 -1.40 0.00 0.00 179.01 178.67 3m82 s LYS 82 N -2.97 2.05 0.17 2.33 -0.14 -1.26 -4.62 119.74 115.29 3m82 s LYS 82 Ca 0.00 -0.62 0.09 0.00 -1.36 0.00 0.00 55.97 54.09 3m82 s LYS 82 Cb 0.11 -1.69 -0.04 0.00 -1.68 0.00 0.00 37.83 34.53 3m82 s LYS 82 CO 0.80 0.18 -0.14 -0.51 -0.76 0.00 0.00 175.35 174.92 3m82 s LEU 83 N 0.27 2.81 0.77 3.17 1.43 0.59 -4.77 118.68 122.95 3m82 s LEU 83 Ca -0.10 -0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 52.26 3m82 s LEU 83 Cb -0.14 -1.54 0.06 0.00 0.03 0.00 0.00 46.19 44.60 3m82 s LEU 83 CO 0.04 0.12 1.10 -2.16 0.23 0.00 0.00 176.35 175.69 3m82 s PRO 84 N -2.65 2.19 -0.02 1.29 0.04 -1.26 0.15 135.00 134.73 3m82 s PRO 84 Ca 0.23 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.52 3m82 s PRO 84 Cb -0.09 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.58 3m82 s PRO 84 CO 0.13 -1.71 -0.02 0.00 0.04 0.00 0.00 177.00 175.45 3m82 s VAL 86 N 0.66 4.08 -0.42 0.00 1.01 0.63 -0.06 120.40 126.29 3m82 s VAL 86 Ca -0.07 -0.26 -0.22 0.00 0.00 0.00 0.00 61.98 61.44 3m82 s VAL 86 Cb -0.10 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.41 3m82 s VAL 86 CO -0.01 0.37 0.70 -0.69 0.00 0.00 0.00 175.10 175.47 3m82 s VAL 87 N 1.46 4.78 -0.26 2.92 1.01 0.11 -0.94 120.40 129.49 3m82 s VAL 87 Ca 0.05 0.35 -0.09 0.00 0.00 0.00 0.00 61.98 62.29 3m82 s VAL 87 Cb -0.15 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 3m82 s VAL 87 CO 0.02 -0.57 0.13 -1.58 0.00 0.00 0.00 175.10 173.10 3m82 s GLN 88 N 2.97 3.82 0.16 2.72 2.00 0.99 -1.09 119.66 131.23 3m82 s GLN 88 Ca 0.26 -0.39 0.02 0.00 -2.00 0.00 0.00 55.36 53.25 3m82 s GLN 88 Cb -0.13 -3.49 -0.04 0.00 0.80 0.00 0.00 33.01 30.15 3m82 s GLN 88 CO 0.19 -0.17 0.30 0.71 -0.50 0.00 0.00 175.29 175.83 3m82 s TYR 89 N 1.65 3.48 0.10 1.67 2.02 -0.28 -1.92 117.35 124.08 3m82 s TYR 89 Ca 0.07 0.15 0.09 0.00 -0.37 0.00 0.00 57.07 57.00 3m82 s TYR 89 Cb -0.15 -1.69 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 3m82 s TYR 89 CO 0.07 0.49 -0.20 0.42 -1.57 0.00 0.00 175.55 174.76 3m82 s ILE 90 N -1.77 2.72 0.87 2.71 1.01 -1.26 -4.50 121.20 120.96 3m82 s ILE 90 Ca 0.35 -1.46 -0.12 0.00 0.00 0.00 0.00 60.65 59.43 3m82 s ILE 90 Cb -0.11 -2.21 0.11 0.00 0.01 0.00 0.00 42.46 40.26 3m82 s ILE 90 CO 0.29 0.17 1.10 -0.83 0.00 0.00 0.00 174.94 175.66 3m82 s GLY 91 N -1.92 1.61 0.26 6.18 0.00 -1.26 -3.27 107.32 108.93 3m82 s GLY 91 Ca 0.16 -0.16 -0.30 0.00 0.00 0.00 0.00 44.72 44.42 3m82 s GLY 91 CO 0.08 0.31 1.27 2.98 0.00 0.00 0.00 173.10 177.75 3m82 n TYR 92 N -3.72 1.90 -1.28 1.90 9.36 -1.26 -1.68 117.16 122.38 3m82 n TYR 92 Ca 0.07 0.54 -0.09 0.00 3.32 0.00 0.00 57.90 61.74 3m82 n TYR 92 Cb 0.56 -2.39 -0.04 0.00 -0.63 0.00 0.00 39.34 36.84 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 1.67 -5.00 -4.92 2.98 3.02 -1.26 -4.85 115.26 106.90 3m82 n ASN 93 Ca 0.10 0.24 -0.21 0.00 -0.03 0.00 0.00 54.58 54.68 3m82 n ASN 93 Cb 0.31 -3.34 -0.01 0.00 -0.61 0.00 0.00 39.78 36.13 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 -2.51 2.10 0.15 7.41 0.00 -0.68 -0.96 107.32 112.83 3m82 s GLY 94 Ca 0.00 -1.80 -0.01 0.00 0.00 0.00 0.00 44.72 42.91 3m82 s GLY 94 CO 0.00 -1.69 0.21 0.61 0.00 0.00 0.00 173.10 172.23 3m82 n GLY 95 N -1.69 2.66 0.23 0.20 0.00 -0.39 -1.49 105.19 104.70 3m82 n GLY 95 Ca 0.05 -1.46 0.16 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.96 3m82 h ARG 96 Cb 0.50 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.58 3m82 h ARG 96 CO 0.16 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.64 3m82 n GLY 97 N -0.76 2.86 3.81 0.08 0.00 -0.02 -4.64 105.19 106.50 3m82 n GLY 97 Ca -0.01 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 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 3.22 0.43 1.61 0.08 -1.26 -4.97 117.98 117.10 3m82 s PHE 98 Ca 0.00 0.07 0.18 0.00 0.12 0.00 0.00 56.93 57.30 3m82 s PHE 98 Cb 0.00 -1.60 1.10 0.00 -0.57 0.00 0.00 43.02 41.95 3m82 s PHE 98 CO 0.00 0.53 1.87 -1.35 -0.10 0.00 0.00 175.22 176.17 3m82 h PRO 99 N 2.93 0.37 0.00 0.24 0.11 -2.00 -0.99 132.00 132.67 3m82 h PRO 99 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3m82 h PRO 99 Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3m82 h PRO 99 CO 0.66 0.25 0.00 -2.39 -0.21 0.00 0.00 178.00 176.31 3m82 n HIS 100 N -4.49 0.00 1.54 0.65 1.44 -1.26 -2.45 115.22 110.65 3m82 n HIS 100 Ca 0.18 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 56.04 3m82 n HIS 100 Cb 0.67 -0.15 0.74 0.00 0.12 0.00 0.00 29.99 31.38 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 -1.15 0.19 -2.49 4.39 8.00 -0.38 -4.23 116.55 120.89 3m82 n ASP 101 Ca 0.10 -0.49 -0.12 0.00 0.71 0.00 0.00 54.79 54.99 3m82 n ASP 101 Cb 0.09 -0.15 0.03 0.00 -0.02 0.00 0.00 41.12 41.08 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 -1.08 1.98 0.71 1.24 7.02 -1.03 -4.88 117.44 121.39 3m82 n TRP 102 Ca 0.16 -2.31 0.13 0.00 -1.02 0.00 0.00 57.50 54.47 3m82 n TRP 102 Cb 0.23 -0.27 0.46 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 -0.58 0.62 0.37 -0.99 4.77 -1.26 -4.29 117.00 115.64 3m82 n LEU 103 Ca 0.24 0.56 -0.19 0.00 -0.03 0.00 0.00 56.01 56.59 3m82 n LEU 103 Cb 0.86 -0.37 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 3m82 n LEU 103 CO 0.23 -0.15 0.53 0.15 -1.33 0.00 0.00 177.39 176.82 3m82 h PHE 104 N 0.00 -1.36 -0.36 -1.77 3.57 -1.95 -2.10 116.94 112.98 3m82 h PHE 104 Ca 0.00 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 3m82 h PHE 104 Cb 0.67 0.50 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 3m82 h PHE 104 CO 0.00 -0.71 -0.03 -1.49 -2.23 0.00 0.00 178.31 173.85 3m82 h TRP 105 N -1.12 0.72 -0.92 0.41 4.06 -1.88 -2.61 115.95 114.60 3m82 h TRP 105 Ca -0.09 -0.14 0.09 0.00 2.06 0.00 0.00 58.89 60.82 3m82 h TRP 105 Cb 0.93 -0.18 -0.07 0.00 -1.00 0.00 0.00 29.16 28.83 3m82 h TRP 105 CO -0.17 0.78 0.57 -1.35 -3.56 0.00 0.00 178.44 174.71 3m82 h PRO 106 N 0.46 0.93 0.00 0.49 0.11 -1.52 -0.27 132.00 132.20 3m82 h PRO 106 Ca 0.10 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 3m82 h PRO 106 Cb 0.51 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 3m82 h PRO 106 CO 0.03 0.61 -0.04 0.77 -0.21 0.00 0.00 178.00 179.16 3m82 h SER 107 N 0.96 0.00 -0.37 -2.05 0.02 -1.05 -0.18 113.55 110.87 3m82 h SER 107 Ca 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 3m82 h SER 107 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3m82 h SER 107 CO -0.23 0.04 0.00 0.23 -1.14 0.00 0.00 176.83 175.73 3m82 n MET 108 N -3.74 2.02 -0.88 3.45 2.81 -0.62 -4.93 117.12 115.22 3m82 n MET 108 Ca -0.03 -1.57 0.00 0.00 -1.81 0.00 0.00 57.70 54.29 3m82 n MET 108 Cb 0.14 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 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 1.23 0.63 3.52 3.03 0.00 -0.08 -5.07 105.19 108.45 3m82 n GLY 109 Ca 0.16 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 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 2.92 0.41 1.61 1.51 -0.21 -4.45 117.35 117.15 3m82 s TYR 110 Ca 0.00 -0.18 -0.26 0.00 -1.01 0.00 0.00 57.07 55.62 3m82 s TYR 110 Cb 0.00 -1.79 -0.09 0.00 -0.11 0.00 0.00 41.96 39.97 3m82 s TYR 110 CO 0.00 0.14 1.42 0.42 -1.11 0.00 0.00 175.55 176.42 3m82 s ILE 111 N -0.33 2.18 -0.12 2.71 1.01 0.38 -2.31 121.20 124.73 3m82 s ILE 111 Ca 0.04 0.17 -0.00 0.00 0.00 0.00 0.00 60.65 60.86 3m82 s ILE 111 Cb -0.13 -3.10 0.02 0.00 0.01 0.00 0.00 42.46 39.27 3m82 s ILE 111 CO 0.02 0.03 -0.09 0.00 0.00 0.00 0.00 174.94 174.90 3m82 s PHE 113 N 1.61 3.24 -0.32 0.00 2.19 -0.11 -1.00 117.98 123.59 3m82 s PHE 113 Ca 0.04 -0.68 -0.12 0.00 0.33 0.00 0.00 56.93 56.49 3m82 s PHE 113 Cb -0.13 -2.55 -0.03 0.00 -1.31 0.00 0.00 43.02 39.00 3m82 s PHE 113 CO -0.08 -0.60 0.23 0.08 1.83 0.00 0.00 175.22 176.68 3m82 s VAL 114 N 1.65 5.29 -0.24 3.12 1.01 0.22 -0.01 120.40 131.44 3m82 s VAL 114 Ca 0.04 -0.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.76 3m82 s VAL 114 Cb -0.19 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 3m82 s VAL 114 CO 0.09 0.07 0.56 -0.32 0.00 0.00 0.00 175.10 175.50 3m82 s MET 115 N 1.75 4.13 0.41 2.72 1.75 -0.81 -1.38 119.30 127.88 3m82 s MET 115 Ca 0.07 0.44 -0.25 0.00 -1.25 0.00 0.00 55.69 54.70 3m82 s MET 115 Cb -0.17 -3.62 -0.08 0.00 2.84 0.00 0.00 34.83 33.80 3m82 s MET 115 CO 0.11 -0.30 1.28 0.34 -0.65 0.00 0.00 175.02 175.79 3m82 s ASP 116 N 1.38 6.29 -0.39 1.11 2.15 -0.94 -4.45 116.67 121.81 3m82 s ASP 116 Ca 0.24 2.59 -0.14 0.00 0.43 0.00 0.00 52.55 55.67 3m82 s ASP 116 Cb -0.16 -2.63 0.01 0.00 -0.30 0.00 0.00 42.92 39.84 3m82 s ASP 116 CO 0.09 -0.86 0.28 -0.89 -0.17 0.00 0.00 175.17 173.62 3m82 s THR 117 N -1.30 5.24 -0.35 1.71 2.01 -1.26 -4.80 115.64 116.88 3m82 s THR 117 Ca 0.58 -0.57 -0.43 0.00 0.31 0.00 0.00 61.69 61.58 3m82 s THR 117 Cb -0.36 -3.86 -0.18 0.00 0.01 0.00 0.00 72.50 68.10 3m82 s THR 117 CO 0.46 -0.24 1.61 -2.11 -0.69 0.00 0.00 174.62 173.66 3m82 n ARG 118 N 5.14 0.52 -0.03 4.92 1.85 -1.26 -2.42 116.66 125.38 3m82 n ARG 118 Ca -0.11 0.19 0.00 0.00 -1.00 0.00 0.00 57.85 56.93 3m82 n ARG 118 Cb 0.48 -1.77 0.00 0.00 -1.05 0.00 0.00 32.46 30.12 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 3.85 2.25 0.00 2.89 0.00 1.00 -4.57 105.19 110.61 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 -3.35 1.61 6.02 -1.02 -4.90 117.38 113.75 3m82 n GLN 120 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.75 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 -0.56 -4.74 105.19 105.47 3m82 n GLY 121 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.51 0.00 -0.07 1.61 7.64 -1.19 -1.82 113.62 117.28 3m82 n SER 122 Ca -0.04 -1.00 -0.10 0.00 1.01 0.00 0.00 58.87 58.75 3m82 n SER 122 Cb 0.57 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.74 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 -0.41 0.00 0.23 0.00 -0.14 -4.92 105.19 99.95 3m82 n GLY 123 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.19 0.00 -3.68 1.61 4.27 -1.02 -5.04 117.44 109.39 3m82 n TRP 124 Ca -0.16 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.36 3m82 n TRP 124 Cb 0.46 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.32 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 -1.15 -0.40 0.69 5.67 2.96 -1.26 -5.02 118.68 120.17 3m82 s LEU 125 Ca 0.00 1.11 -0.17 0.00 -0.22 0.00 0.00 54.13 54.85 3m82 s LEU 125 Cb 0.00 1.70 0.01 0.00 0.50 0.00 0.00 46.19 48.40 3m82 s LEU 125 CO 0.00 -0.21 1.24 -1.59 -1.32 0.00 0.00 176.35 174.47 3m82 s LYS 126 N 1.53 2.36 0.17 1.98 -2.85 -1.26 -1.27 119.74 120.42 3m82 s LYS 126 Ca -0.09 1.90 -0.01 0.00 -1.00 0.00 0.00 55.97 56.77 3m82 s LYS 126 Cb -0.07 -1.84 -0.04 0.00 -2.06 0.00 0.00 37.83 33.81 3m82 s LYS 126 CO -0.15 -1.70 0.10 0.20 0.10 0.00 0.00 175.35 173.89 3m82 s GLY 127 N -1.72 1.27 0.00 0.59 0.00 -0.76 -0.84 107.32 105.86 3m82 s GLY 127 Ca 0.78 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.89 3m82 s GLY 127 CO 0.42 -1.40 0.30 1.22 0.00 0.00 0.00 173.10 173.64 3m82 n ASP 128 N -0.21 0.55 -4.45 1.64 8.00 -1.26 -4.87 116.55 115.95 3m82 n ASP 128 Ca -0.01 -1.05 -0.36 0.00 0.71 0.00 0.00 54.79 54.08 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 -0.05 4.15 0.74 -3.53 2.01 -1.26 -4.93 115.64 112.76 3m82 s THR 129 Ca 0.00 -0.23 -0.12 0.00 0.31 0.00 0.00 61.69 61.65 3m82 s THR 129 Cb 0.00 -2.92 0.03 0.00 0.01 0.00 0.00 72.50 69.63 3m82 s THR 129 CO 0.00 0.38 1.11 -2.16 -0.69 0.00 0.00 174.62 173.26 3m82 s PRO 130 N 1.35 2.59 0.48 4.92 0.04 -1.26 -0.00 135.00 143.12 3m82 s PRO 130 Ca 0.05 0.40 -0.03 0.00 0.04 0.00 0.00 61.00 61.46 3m82 s PRO 130 Cb -0.15 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 3m82 s PRO 130 CO 0.02 -1.22 0.75 0.34 0.04 0.00 0.00 177.00 176.94 3m82 s ASP 131 N -4.36 6.01 -0.35 6.66 2.15 -1.26 -3.95 116.67 121.58 3m82 s ASP 131 Ca 0.59 0.66 0.00 0.00 0.43 0.00 0.00 52.55 54.23 3m82 s ASP 131 Cb -0.11 -1.92 0.14 0.00 -0.30 0.00 0.00 42.92 40.72 3m82 s ASP 131 CO 0.51 -0.68 0.23 -0.31 -0.17 0.00 0.00 175.17 174.76 3m82 s TYR 132 N -2.70 0.47 0.73 -5.34 1.51 -1.26 -4.94 117.35 105.83 3m82 s TYR 132 Ca 0.48 -1.38 -0.15 0.00 -1.01 0.00 0.00 57.07 55.01 3m82 s TYR 132 Cb -0.10 -0.81 0.04 0.00 -0.11 0.00 0.00 41.96 40.98 3m82 s TYR 132 CO 0.42 -0.86 1.21 -1.25 -1.11 0.00 0.00 175.55 173.97 3m82 s PRO 133 N 1.26 2.14 -1.08 -1.71 0.04 -1.26 -4.93 135.00 129.47 3m82 s PRO 133 Ca 0.17 1.79 -0.22 0.00 0.04 0.00 0.00 61.00 62.77 3m82 s PRO 133 Cb -0.21 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 3m82 s PRO 133 CO -0.04 -1.84 1.92 0.39 0.04 0.00 0.00 177.00 177.47 3m82 n GLU 134 N -2.68 1.67 0.00 4.56 -0.58 -1.26 -4.89 120.64 117.46 3m82 n GLU 134 Ca 0.14 -2.34 0.00 0.00 -0.42 0.00 0.00 57.16 54.54 3m82 n GLU 134 Cb 0.50 -3.48 0.00 0.00 -0.57 0.00 0.00 31.44 27.89 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 5.39 1.26 3.75 0.62 0.00 -1.26 -4.78 105.19 110.17 3m82 n GLY 135 Ca 0.47 0.35 -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 4.49 -0.74 1.61 0.04 -1.26 -4.99 135.00 134.15 3m82 s PRO 136 Ca 0.00 1.94 -0.15 0.00 0.04 0.00 0.00 61.00 62.83 3m82 s PRO 136 Cb 0.00 -3.20 0.18 0.00 0.04 0.00 0.00 34.50 31.52 3m82 s PRO 136 CO 0.00 -0.07 0.72 0.08 0.04 0.00 0.00 177.00 177.77 3m82 s VAL 137 N -0.40 5.37 0.90 -0.36 1.01 -1.26 -5.02 120.40 120.63 3m82 s VAL 137 Ca 0.51 -2.01 -0.14 0.00 0.00 0.00 0.00 61.98 60.35 3m82 s VAL 137 Cb -0.34 -4.46 0.02 0.00 0.00 0.00 0.00 36.38 31.60 3m82 s VAL 137 CO 0.40 -1.03 0.41 0.47 0.00 0.00 0.00 175.10 175.35 3m82 n ASP 138 N 4.72 -1.95 -4.49 3.32 8.00 -1.26 -4.89 116.55 120.01 3m82 n ASP 138 Ca 0.05 0.39 -0.53 0.00 0.71 0.00 0.00 54.79 55.40 3m82 n ASP 138 Cb 0.45 -1.20 -0.05 0.00 -0.02 0.00 0.00 41.12 40.29 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 -1.40 0.32 -3.72 -0.24 -0.02 -1.26 -4.81 135.00 123.87 3m82 n PRO 139 Ca 0.07 0.12 -0.10 0.00 -2.02 0.00 0.00 63.50 61.57 3m82 n PRO 139 Cb 0.53 -1.47 -0.06 0.00 -0.02 0.00 0.00 33.50 32.48 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 -0.38 0.99 0.32 -0.52 -2.07 -1.26 -4.85 119.66 111.88 3m82 s GLN 140 Ca 0.78 -0.81 -0.26 0.00 -1.82 0.00 0.00 55.36 53.25 3m82 s GLN 140 Cb -1.06 0.42 -0.10 0.00 -1.09 0.00 0.00 33.01 31.19 3m82 s GLN 140 CO 0.55 -0.36 0.95 -0.47 -1.32 0.00 0.00 175.29 174.64 3m82 s TYR 141 N -3.83 3.69 -0.15 9.60 5.04 -1.26 -4.99 117.35 125.44 3m82 s TYR 141 Ca 0.04 1.78 -0.41 0.00 -2.44 0.00 0.00 57.07 56.04 3m82 s TYR 141 Cb 0.03 -2.95 -0.18 0.00 0.35 0.00 0.00 41.96 39.21 3m82 s TYR 141 CO -0.11 0.16 1.39 -2.30 -1.34 0.00 0.00 175.55 173.34 3m82 n PRO 142 N 0.61 0.49 0.00 4.97 -0.02 -1.26 -4.69 135.00 135.10 3m82 n PRO 142 Ca 0.02 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3m82 n PRO 142 Cb 0.50 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 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 2.86 0.54 0.00 -1.23 0.00 -1.26 -4.90 105.19 101.20 3m82 n GLY 143 Ca 0.24 -2.21 0.05 0.00 0.00 0.00 0.00 46.02 44.09 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 1.84 0.00 0.18 1.61 3.72 -1.26 -4.53 117.46 119.02 3m82 n PHE 144 Ca 0.00 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.43 3m82 n PHE 144 Cb 0.00 -0.13 0.37 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 0.02 -0.26 -1.08 2.86 -1.90 -3.10 114.93 111.48 3m82 h MET 145 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3m82 h MET 145 Cb 0.35 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 3m82 h MET 145 CO 0.00 0.36 0.00 0.25 1.06 0.00 0.00 176.91 178.58 3m82 n THR 146 N -4.13 1.04 -2.16 2.22 -2.24 -1.26 -4.86 114.28 102.89 3m82 n THR 146 Ca -0.02 -1.03 -0.40 0.00 -2.27 0.00 0.00 64.05 60.32 3m82 n THR 146 Cb 0.38 0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 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 -1.06 3.02 0.00 -0.78 3.52 -1.17 -2.80 118.95 119.67 3m82 s ARG 147 Ca 0.18 0.71 0.00 0.00 -0.13 0.00 0.00 55.73 56.49 3m82 s ARG 147 Cb 0.10 -4.25 0.00 0.00 -1.56 0.00 0.00 34.95 29.23 3m82 s ARG 147 CO 0.12 -2.27 0.00 0.41 -0.81 0.00 0.00 175.30 172.75 3m82 n GLY 148 N 5.48 0.43 0.00 8.12 0.00 -1.26 -1.38 105.19 116.58 3m82 n GLY 148 Ca 0.18 -0.79 0.06 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.97 1.11 1.78 -0.61 3.06 -1.12 -2.68 119.36 117.93 3m82 n ILE 149 Ca 0.00 0.28 0.15 0.00 -2.50 0.00 0.00 62.75 60.68 3m82 n ILE 149 Cb 0.00 -1.06 0.77 0.00 0.54 0.00 0.00 39.64 39.89 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 -1.50 0.62 -3.65 9.51 4.77 -1.26 -4.57 117.00 120.92 3m82 n LEU 150 Ca 0.03 -0.20 -0.06 0.00 -0.03 0.00 0.00 56.01 55.75 3m82 n LEU 150 Cb 0.15 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 3m82 n LEU 150 CO 0.12 0.10 0.29 -0.62 -1.33 0.00 0.00 177.39 175.95 3m82 s ASP 151 N -2.01 -0.95 0.61 -1.43 2.15 -1.09 -4.98 116.67 108.97 3m82 s ASP 151 Ca 0.43 1.47 0.33 0.00 0.43 0.00 0.00 52.55 55.22 3m82 s ASP 151 Cb 0.22 1.59 1.95 0.00 -0.30 0.00 0.00 42.92 46.37 3m82 s ASP 151 CO 0.36 -0.23 2.26 1.55 -0.17 0.00 0.00 175.17 178.94 3m82 h PRO 152 N 7.31 0.00 0.00 4.34 0.13 -1.84 -2.09 132.00 139.85 3m82 h PRO 152 Ca -0.27 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.78 3m82 h PRO 152 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3m82 h PRO 152 CO 0.15 0.00 -0.40 0.00 -0.23 0.00 0.00 178.00 177.53 3m82 h ARG 153 N 0.00 0.00 -0.01 0.86 3.08 -1.96 -3.12 114.38 113.23 3m82 h ARG 153 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3m82 h ARG 153 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3m82 h ARG 153 CO -0.00 0.40 -0.47 0.25 -1.07 0.00 0.00 179.97 179.08 3m82 n THR 154 N -3.69 0.00 -2.28 2.04 -2.24 -0.82 -4.97 114.28 102.33 3m82 n THR 154 Ca -0.01 -0.25 -0.41 0.00 -2.27 0.00 0.00 64.05 61.11 3m82 n THR 154 Cb 0.49 1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 69.87 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 -2.49 3.32 0.25 4.78 5.04 -1.03 -4.31 117.35 122.91 3m82 s TYR 155 Ca 0.19 1.29 -0.07 0.00 -2.44 0.00 0.00 57.07 56.04 3m82 s TYR 155 Cb 0.18 -3.54 0.44 0.00 0.35 0.00 0.00 41.96 39.39 3m82 s TYR 155 CO 0.57 -1.63 1.62 -0.92 -1.34 0.00 0.00 175.55 173.86 3m82 h TYR 156 N 5.37 -0.11 0.00 4.97 3.20 -1.51 -1.57 116.97 127.31 3m82 h TYR 156 Ca -0.45 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.48 3m82 h TYR 156 Cb 1.21 0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.66 3m82 h TYR 156 CO 0.62 -0.27 0.00 0.66 -1.64 0.00 0.00 178.16 177.53 3m82 n TYR 157 N -5.38 0.63 -0.26 -3.82 4.01 -1.26 -1.94 117.16 109.13 3m82 n TYR 157 Ca 0.14 0.21 -0.06 0.00 -0.16 0.00 0.00 57.90 58.03 3m82 n TYR 157 Cb 0.48 -0.85 0.05 0.00 -0.31 0.00 0.00 39.34 38.71 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 1.04 -0.21 -0.72 2.43 -1.58 -0.82 114.38 114.52 3m82 h ARG 158 Ca 0.00 -0.17 -0.11 0.00 -0.81 0.00 0.00 59.98 58.89 3m82 h ARG 158 Cb 0.50 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3m82 h ARG 158 CO 0.00 0.84 -0.29 0.00 -1.51 0.00 0.00 179.97 179.01 3m82 h ARG 159 N 1.00 0.57 -0.43 0.20 3.08 -1.49 -2.47 114.38 114.84 3m82 h ARG 159 Ca 0.24 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3m82 h ARG 159 Cb 0.16 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3m82 h ARG 159 CO -0.03 0.93 0.19 0.28 -1.07 0.00 0.00 179.97 180.28 3m82 h VAL 160 N 0.25 1.19 -0.36 2.04 2.07 -1.45 -1.05 116.25 118.94 3m82 h VAL 160 Ca 0.02 -0.56 -0.10 0.00 0.82 0.00 0.00 66.70 66.89 3m82 h VAL 160 Cb 0.86 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3m82 h VAL 160 CO 0.07 0.21 -0.20 -0.26 0.02 0.00 0.00 177.57 177.41 3m82 h PHE 161 N 0.56 0.77 -0.21 1.57 -1.00 -1.20 -1.21 116.94 116.22 3m82 h PHE 161 Ca 0.15 -0.16 -0.03 0.00 2.81 0.00 0.00 57.97 60.74 3m82 h PHE 161 Cb 0.15 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 3m82 h PHE 161 CO -0.01 0.83 0.02 1.15 -1.61 0.00 0.00 178.31 178.69 3m82 h THR 162 N 0.61 1.24 -0.74 -1.55 2.02 -1.28 -1.85 112.91 111.36 3m82 h THR 162 Ca 0.09 -0.82 0.17 0.00 0.77 0.00 0.00 66.41 66.62 3m82 h THR 162 Cb 0.67 1.37 -0.12 0.00 -1.74 0.00 0.00 68.15 68.34 3m82 h THR 162 CO 0.05 0.25 0.14 0.44 0.37 0.00 0.00 175.52 176.77 3m82 h ASP 163 N 0.14 -0.08 -0.35 4.18 3.32 -0.99 -2.09 116.42 120.55 3m82 h ASP 163 Ca 0.06 0.16 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 3m82 h ASP 163 Cb 0.36 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3m82 h ASP 163 CO 0.01 -0.08 -0.16 0.00 -1.72 0.00 0.00 179.24 177.29 3m82 h ALA 164 N 1.64 0.92 -0.43 3.45 0.00 -0.93 -0.43 119.26 123.48 3m82 h ALA 164 Ca 0.42 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3m82 h ALA 164 Cb 0.74 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3m82 h ALA 164 CO -0.56 0.62 -0.07 0.28 0.00 0.00 0.00 179.25 179.52 3m82 h VAL 165 N 0.72 1.27 -0.04 0.00 2.07 -1.04 -3.14 116.25 116.09 3m82 h VAL 165 Ca 0.11 -1.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.41 3m82 h VAL 165 Cb 0.66 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3m82 h VAL 165 CO 0.05 0.39 -0.27 0.03 0.02 0.00 0.00 177.57 177.79 3m82 h ARG 166 N 0.63 0.07 -0.39 1.57 2.47 -1.12 -2.91 114.38 114.69 3m82 h ARG 166 Ca 0.11 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.77 3m82 h ARG 166 Cb 0.59 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.89 3m82 h ARG 166 CO 0.04 0.33 0.06 0.00 0.56 0.00 0.00 179.97 180.96 3m82 h ALA 167 N 1.67 1.37 -0.33 0.04 0.00 -1.04 -0.58 119.26 120.38 3m82 h ALA 167 Ca 0.01 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 3m82 h ALA 167 Cb 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3m82 h ALA 167 CO 0.04 0.45 -0.26 0.28 0.00 0.00 0.00 179.25 179.76 3m82 h VAL 168 N 0.58 1.27 -0.55 0.00 2.07 -1.51 -0.68 116.25 117.43 3m82 h VAL 168 Ca 0.13 -1.35 -0.08 0.00 0.82 0.00 0.00 66.70 66.21 3m82 h VAL 168 Cb 0.28 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3m82 h VAL 168 CO 0.00 0.44 0.02 -0.33 0.02 0.00 0.00 177.57 177.73 3m82 h GLU 169 N 0.58 0.95 -0.48 1.57 4.39 -1.44 -1.67 114.58 118.48 3m82 h GLU 169 Ca 0.08 -0.29 -0.04 0.00 0.34 0.00 0.00 59.36 59.45 3m82 h GLU 169 Cb 0.74 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 3m82 h GLU 169 CO 0.06 0.95 0.15 0.00 -1.16 0.00 0.00 179.01 179.01 3m82 h ALA 170 N 0.97 0.63 -0.24 3.43 0.00 -1.02 -2.27 119.26 120.76 3m82 h ALA 170 Ca 0.16 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3m82 h ALA 170 Cb 0.50 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3m82 h ALA 170 CO 0.02 0.28 0.13 0.00 0.00 0.00 0.00 179.25 179.69 3m82 h ALA 171 N 1.01 0.29 -0.05 0.00 0.00 -1.07 -2.74 119.26 116.69 3m82 h ALA 171 Ca 0.15 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3m82 h ALA 171 Cb 0.27 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3m82 h ALA 171 CO -0.00 -0.26 0.05 0.00 0.00 0.00 0.00 179.25 179.04 3m82 h ALA 172 N 1.11 1.72 0.00 0.00 0.00 -1.20 -1.80 119.26 119.09 3m82 h ALA 172 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3m82 h ALA 172 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3m82 h ALA 172 CO -0.05 -0.08 0.00 0.66 0.00 0.00 0.00 179.25 179.78 3m82 h SER 173 N 0.00 0.00 -3.03 0.00 4.64 -1.09 -3.45 113.55 110.62 3m82 h SER 173 Ca 0.03 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.81 3m82 h SER 173 Cb 0.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3m82 h SER 173 CO -0.00 0.00 0.70 0.12 -0.87 0.00 0.00 176.83 176.78 3m82 s PHE 174 N -3.47 3.19 0.50 4.77 5.36 -0.68 -4.91 117.98 122.74 3m82 s PHE 174 Ca 0.04 1.03 0.27 0.00 -0.96 0.00 0.00 56.93 57.30 3m82 s PHE 174 Cb 0.09 -3.59 1.57 0.00 -0.34 0.00 0.00 43.02 40.74 3m82 s PHE 174 CO 0.54 -2.04 2.15 -1.35 -1.46 0.00 0.00 175.22 173.06 3m82 h PRO 175 N 7.11 0.00 -0.03 10.12 0.11 -1.89 -2.37 132.00 145.06 3m82 h PRO 175 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3m82 h PRO 175 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3m82 h PRO 175 CO 0.86 0.07 0.00 1.04 -0.21 0.00 0.00 178.00 179.76 3m82 n GLN 176 N -3.81 1.83 -2.97 1.05 6.02 -1.26 -4.87 117.38 113.36 3m82 n GLN 176 Ca -0.02 -1.20 -0.41 0.00 -0.01 0.00 0.00 57.00 55.36 3m82 n GLN 176 Cb 0.17 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 29.91 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 -1.99 4.93 -0.38 5.09 1.01 -0.89 -0.30 120.40 127.87 3m82 s VAL 177 Ca 0.36 1.47 -0.29 0.00 0.00 0.00 0.00 61.98 63.52 3m82 s VAL 177 Cb 0.21 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.53 3m82 s VAL 177 CO 0.32 0.05 1.33 -0.62 0.00 0.00 0.00 175.10 176.18 3m82 s ASP 178 N 1.18 6.51 0.10 3.32 -1.08 0.12 -4.81 116.67 122.02 3m82 s ASP 178 Ca 0.35 0.92 0.22 0.00 -0.52 0.00 0.00 52.55 53.52 3m82 s ASP 178 Cb -0.16 -2.54 0.88 0.00 -1.46 0.00 0.00 42.92 39.64 3m82 s ASP 178 CO 0.11 -1.27 1.68 0.00 0.52 0.00 0.00 175.17 176.21 3m82 n GLN 179 N 7.74 0.09 0.00 4.34 6.02 -1.26 -1.83 117.38 132.49 3m82 n GLN 179 Ca 0.15 0.23 0.14 0.00 -0.01 0.00 0.00 57.00 57.51 3m82 n GLN 179 Cb 0.48 -1.64 0.58 0.00 1.02 0.00 0.00 30.24 30.67 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 -1.80 0.47 -2.62 -1.09 -0.58 -1.26 -4.21 120.64 109.54 3m82 n GLU 180 Ca 0.04 -0.15 -0.16 0.00 -0.42 0.00 0.00 57.16 56.47 3m82 n GLU 180 Cb 0.26 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 29.65 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 -1.14 2.00 -3.43 3.49 1.74 -0.76 -4.92 116.66 113.65 3m82 n ARG 181 Ca 0.12 -3.74 -0.40 0.00 -0.77 0.00 0.00 57.85 53.06 3m82 n ARG 181 Cb 0.29 -1.64 -0.09 0.00 -1.02 0.00 0.00 32.46 30.00 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 -4.00 5.19 -0.10 0.55 1.01 -1.25 -1.16 121.20 121.44 3m82 s ILE 182 Ca 0.35 0.27 -0.04 0.00 0.00 0.00 0.00 60.65 61.24 3m82 s ILE 182 Cb 0.43 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 3m82 s ILE 182 CO -0.05 0.06 0.04 -0.69 0.00 0.00 0.00 174.94 174.30 3m82 s VAL 183 N 2.00 4.66 -0.13 2.92 1.01 0.91 -0.41 120.40 131.35 3m82 s VAL 183 Ca 0.12 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 3m82 s VAL 183 Cb -0.16 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 3m82 s VAL 183 CO 0.11 0.60 0.00 0.27 0.00 0.00 0.00 175.10 176.08 3m82 s ILE 184 N -0.81 4.29 -0.02 2.22 -4.36 -0.09 0.09 121.20 122.51 3m82 s ILE 184 Ca 0.13 -0.23 -0.03 0.00 -0.26 0.00 0.00 60.65 60.26 3m82 s ILE 184 Cb -0.12 -2.86 0.01 0.00 1.25 0.00 0.00 42.46 40.73 3m82 s ILE 184 CO 0.03 0.53 0.07 0.00 0.24 0.00 0.00 174.94 175.81 3m82 s ALA 185 N -0.13 -0.17 -0.19 2.27 0.00 -0.25 -0.64 121.76 122.65 3m82 s ALA 185 Ca 0.04 0.17 -0.31 0.00 0.00 0.00 0.00 51.96 51.86 3m82 s ALA 185 Cb -0.13 -0.10 0.15 0.00 0.00 0.00 0.00 23.12 23.03 3m82 s ALA 185 CO 0.02 -0.04 1.15 0.20 0.00 0.00 0.00 175.76 177.09 3m82 s GLY 186 N -0.03 -0.21 -0.56 0.00 0.00 -0.58 -1.12 107.32 104.81 3m82 s GLY 186 Ca -0.01 1.98 0.03 0.00 0.00 0.00 0.00 44.72 46.72 3m82 s GLY 186 CO 0.00 0.81 1.38 0.61 0.00 0.00 0.00 173.10 175.90 3m82 n GLY 187 N 0.29 5.86 0.00 0.20 0.00 -1.26 -1.30 105.19 108.99 3m82 n GLY 187 Ca -0.04 -2.68 0.00 0.00 0.00 0.00 0.00 46.02 43.30 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 -0.50 0.00 -0.28 1.61 7.27 -1.26 -3.23 117.38 120.99 3m82 n GLN 189 Ca 0.43 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.57 3m82 n GLN 189 Cb 0.53 0.00 0.30 0.00 2.41 0.00 0.00 30.24 33.48 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 1.28 1.24 1.69 0.00 -1.80 -0.63 103.07 104.86 3m82 h GLY 190 Ca 0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 47.33 46.82 3m82 h GLY 190 CO 0.00 0.21 -0.34 -1.33 0.00 0.00 0.00 176.54 175.08 3m82 h GLY 191 N 0.89 0.91 1.18 4.60 0.00 -1.51 0.38 103.07 109.52 3m82 h GLY 191 Ca 0.41 -0.88 -0.18 0.00 0.00 0.00 0.00 47.33 46.68 3m82 h GLY 191 CO -0.17 0.80 -0.52 -1.33 0.00 0.00 0.00 176.54 175.32 3m82 h GLY 192 N 0.89 0.95 0.76 4.60 0.00 -1.47 -1.84 103.07 106.96 3m82 h GLY 192 Ca 0.07 -1.08 0.02 0.00 0.00 0.00 0.00 47.33 46.34 3m82 h GLY 192 CO 0.08 0.97 -0.02 -2.22 0.00 0.00 0.00 176.54 175.35 3m82 h ILE 193 N 0.67 0.88 -0.90 2.60 2.04 -1.07 -2.38 117.51 119.36 3m82 h ILE 193 Ca 0.02 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.91 3m82 h ILE 193 Cb 1.12 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 38.01 3m82 h ILE 193 CO 0.12 0.00 0.58 0.00 0.00 0.00 0.00 178.15 178.85 3m82 h ALA 194 N 1.13 1.18 -0.75 1.87 0.00 -0.84 -1.63 119.26 120.23 3m82 h ALA 194 Ca 0.06 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3m82 h ALA 194 Cb 0.09 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3m82 h ALA 194 CO -0.13 0.44 0.22 1.25 0.00 0.00 0.00 179.25 181.04 3m82 h LEU 195 N 1.13 1.10 -0.41 0.00 5.85 -1.28 0.23 115.31 121.93 3m82 h LEU 195 Ca 0.36 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.89 3m82 h LEU 195 Cb -0.00 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 3m82 h LEU 195 CO -0.12 1.02 0.23 0.00 -0.34 0.00 0.00 178.44 179.24 3m82 h ALA 196 N 1.12 0.52 -0.53 1.25 0.00 -0.81 -3.01 119.26 117.79 3m82 h ALA 196 Ca 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3m82 h ALA 196 Cb 0.32 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3m82 h ALA 196 CO -0.01 -0.11 0.13 0.28 0.00 0.00 0.00 179.25 179.54 3m82 h VAL 197 N 0.47 1.22 -0.21 0.00 2.07 -0.64 -1.78 116.25 117.37 3m82 h VAL 197 Ca 0.17 -0.81 0.06 0.00 0.82 0.00 0.00 66.70 66.94 3m82 h VAL 197 Cb 0.03 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3m82 h VAL 197 CO -0.09 0.30 0.19 0.77 0.02 0.00 0.00 177.57 178.75 3m82 h SER 198 N 0.78 0.00 0.21 0.57 4.64 -0.44 0.60 113.55 119.92 3m82 h SER 198 Ca 0.17 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.15 3m82 h SER 198 Cb 0.29 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.32 3m82 h SER 198 CO -0.00 0.00 -2.10 0.00 -0.87 0.00 0.00 176.83 173.86 3m82 n ALA 199 N -2.45 1.46 -0.00 5.18 0.00 -0.85 -4.36 120.51 119.49 3m82 n ALA 199 Ca 0.02 -1.05 0.06 0.00 0.00 0.00 0.00 53.44 52.47 3m82 n ALA 199 Cb 0.32 -0.48 -0.13 0.00 0.00 0.00 0.00 19.45 19.17 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 -2.94 0.25 -4.86 0.00 4.77 -0.73 -4.90 117.00 108.60 3m82 n LEU 200 Ca -0.27 0.10 -0.35 0.00 -0.03 0.00 0.00 56.01 55.46 3m82 n LEU 200 Cb 1.10 0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 42.22 3m82 n LEU 200 CO 0.43 0.07 0.13 -0.55 -1.33 0.00 0.00 177.39 176.13 3m82 s SER 201 N -4.97 6.72 0.00 -1.43 0.15 0.15 -4.99 113.70 109.34 3m82 s SER 201 Ca -0.06 0.90 0.21 0.00 0.70 0.00 0.00 55.95 57.70 3m82 s SER 201 Cb 0.11 -2.22 -0.18 0.00 -1.71 0.00 0.00 66.02 62.03 3m82 s SER 201 CO 0.86 0.18 0.94 0.29 1.20 0.00 0.00 173.24 176.71 3m82 n LYS 202 N 1.02 0.18 0.02 5.44 4.76 -1.26 -4.50 118.16 123.83 3m82 n LYS 202 Ca -0.08 -0.15 0.09 0.00 -2.87 0.00 0.00 58.31 55.30 3m82 n LYS 202 Cb 0.52 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.11 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 -1.28 0.64 -2.32 1.97 4.76 -1.26 -4.96 118.16 115.71 3m82 n LYS 203 Ca 0.05 -0.06 -0.40 0.00 -2.87 0.00 0.00 58.31 55.03 3m82 n LYS 203 Cb 0.35 -1.64 -0.03 0.00 -1.84 0.00 0.00 35.03 31.87 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 -3.38 3.39 -0.02 7.82 0.00 -1.26 -4.74 121.76 123.57 3m82 s ALA 204 Ca -0.05 1.03 0.08 0.00 0.00 0.00 0.00 51.96 53.01 3m82 s ALA 204 Cb 0.12 -3.39 -0.12 0.00 0.00 0.00 0.00 23.12 19.74 3m82 s ALA 204 CO 0.86 -0.39 0.14 1.63 0.00 0.00 0.00 175.76 178.01 3m82 n LYS 205 N 0.85 0.81 -3.71 0.00 4.76 0.45 -4.97 118.16 116.35 3m82 n LYS 205 Ca 0.00 -0.06 -0.13 0.00 -2.87 0.00 0.00 58.31 55.26 3m82 n LYS 205 Cb 0.44 -1.19 -0.07 0.00 -1.84 0.00 0.00 35.03 32.37 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 -2.47 -0.87 -0.10 7.82 0.00 -1.17 -4.27 121.76 120.69 3m82 s ALA 206 Ca -0.03 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.22 3m82 s ALA 206 Cb 0.04 0.25 -0.00 0.00 0.00 0.00 0.00 23.12 23.41 3m82 s ALA 206 CO 0.32 -0.39 -0.22 -1.17 0.00 0.00 0.00 175.76 174.30 3m82 s LEU 207 N -1.81 2.18 -0.29 0.00 2.96 -0.13 -0.92 118.68 120.67 3m82 s LEU 207 Ca -0.08 -0.53 -0.04 0.00 -0.22 0.00 0.00 54.13 53.27 3m82 s LEU 207 Cb -0.02 -1.44 0.03 0.00 0.50 0.00 0.00 46.19 45.26 3m82 s LEU 207 CO -0.00 0.16 0.02 -0.76 -1.32 0.00 0.00 176.35 174.44 3m82 s LEU 208 N 0.34 3.70 -0.34 -0.68 1.43 0.18 -1.27 118.68 122.04 3m82 s LEU 208 Ca -0.18 -0.96 0.01 0.00 -1.03 0.00 0.00 54.13 51.97 3m82 s LEU 208 Cb -0.18 -1.76 0.10 0.00 0.03 0.00 0.00 46.19 44.38 3m82 s LEU 208 CO 0.09 -0.21 0.10 0.00 0.23 0.00 0.00 176.35 176.56 3m82 s ASP 210 N 1.15 5.90 -0.96 0.00 1.01 -0.42 -1.94 116.67 121.41 3m82 s ASP 210 Ca 0.11 0.31 -0.06 0.00 0.71 0.00 0.00 52.55 53.62 3m82 s ASP 210 Cb -0.19 -1.85 0.01 0.00 1.01 0.00 0.00 42.92 41.90 3m82 s ASP 210 CO -0.15 0.37 0.12 1.33 0.21 0.00 0.00 175.17 177.05 3m82 n VAL 211 N 2.23 -0.95 -1.85 -1.27 0.24 -0.66 -4.22 118.33 111.85 3m82 n VAL 211 Ca -0.19 -0.35 -0.41 0.00 -2.04 0.00 0.00 64.34 61.35 3m82 n VAL 211 Cb 0.54 -0.88 -0.01 0.00 -1.47 0.00 0.00 33.84 32.02 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 -6.11 4.15 0.38 7.34 0.04 -1.26 -4.78 135.00 134.76 3m82 s PRO 212 Ca 0.09 2.51 0.07 0.00 0.04 0.00 0.00 61.00 63.72 3m82 s PRO 212 Cb -0.05 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.48 3m82 s PRO 212 CO 0.66 -0.52 0.52 0.12 0.04 0.00 0.00 177.00 177.82 3m82 s PHE 213 N -0.66 2.97 -0.69 0.56 5.36 -1.26 -4.66 117.98 119.60 3m82 s PHE 213 Ca 0.56 -0.29 -0.04 0.00 -0.96 0.00 0.00 56.93 56.21 3m82 s PHE 213 Cb -0.46 -2.19 0.00 0.00 -0.34 0.00 0.00 43.02 40.04 3m82 s PHE 213 CO 0.55 -0.22 0.46 1.28 -1.46 0.00 0.00 175.22 175.84 3m82 n LEU 214 N -1.75 -2.45 -3.97 6.12 4.77 -1.26 -3.42 117.00 115.03 3m82 n LEU 214 Ca 0.04 -0.21 -0.21 0.00 -0.03 0.00 0.00 56.01 55.60 3m82 n LEU 214 Cb 0.59 -1.71 -0.16 0.00 -2.33 0.00 0.00 43.42 39.81 3m82 n LEU 214 CO 0.41 0.24 -0.43 0.00 -1.33 0.00 0.00 177.39 176.27 3m82 n HIS 216 N 3.63 -1.90 -0.32 0.00 -0.00 -1.26 -4.67 115.22 110.69 3m82 n HIS 216 Ca -0.21 0.63 0.10 0.00 0.46 0.00 0.00 57.72 58.69 3m82 n HIS 216 Cb 0.53 -3.77 0.26 0.00 -0.12 0.00 0.00 29.99 26.89 3m82 n HIS 216 CO 0.00 0.00 0.00 0.74 0.46 0.00 0.00 176.34 177.54 3m82 h PHE 217 N -1.81 0.88 -0.65 1.57 0.04 -1.95 -0.50 116.94 114.52 3m82 h PHE 217 Ca -0.64 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.13 3m82 h PHE 217 Cb 1.36 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 39.23 3m82 h PHE 217 CO 0.39 0.20 0.27 -0.09 -0.60 0.00 0.00 178.31 178.48 3m82 h ARG 218 N 0.68 0.97 -0.17 1.51 9.65 -1.98 -1.90 114.38 123.12 3m82 h ARG 218 Ca 0.51 -0.17 -0.14 0.00 -1.10 0.00 0.00 59.98 59.08 3m82 h ARG 218 Cb 0.76 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.18 3m82 h ARG 218 CO -0.38 0.80 -0.44 -0.09 2.80 0.00 0.00 179.97 182.67 3m82 h ARG 219 N 0.91 0.60 -0.57 0.20 9.65 -1.76 -3.22 114.38 120.19 3m82 h ARG 219 Ca 0.22 -0.42 0.08 0.00 -1.10 0.00 0.00 59.98 58.76 3m82 h ARG 219 Cb 0.19 0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 28.77 3m82 h ARG 219 CO -0.02 1.03 0.22 0.00 2.80 0.00 0.00 179.97 184.01 3m82 h ALA 220 N 0.57 0.72 0.00 2.80 0.00 -0.96 -1.90 119.26 120.49 3m82 h ALA 220 Ca -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3m82 h ALA 220 Cb 1.05 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3m82 h ALA 220 CO 0.10 -0.18 -0.04 0.28 0.00 0.00 0.00 179.25 179.40 3m82 h VAL 221 N 0.41 0.10 0.00 0.00 2.07 -1.46 -2.22 116.25 115.15 3m82 h VAL 221 Ca 0.28 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3m82 h VAL 221 Cb 0.31 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3m82 h VAL 221 CO -0.27 0.04 -1.03 0.00 0.02 0.00 0.00 177.57 176.34 3m82 n GLN 222 N -3.13 0.31 -0.07 1.57 10.64 -1.02 -4.52 117.38 121.16 3m82 n GLN 222 Ca 0.02 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 54.98 3m82 n GLN 222 Cb 0.40 -1.61 -0.13 0.00 -0.86 0.00 0.00 30.24 28.05 3m82 n GLN 222 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3m82 n LEU 223 N -2.02 2.67 -4.28 2.61 4.77 -0.74 -5.01 117.00 115.01 3m82 n LEU 223 Ca 0.02 0.09 -0.20 0.00 -0.03 0.00 0.00 56.01 55.89 3m82 n LEU 223 Cb 0.45 -1.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.42 3m82 n LEU 223 CO 0.40 0.83 -0.47 0.68 -1.33 0.00 0.00 177.39 177.50 3m82 s VAL 224 N -2.53 1.55 -0.38 4.08 -7.23 -0.87 -5.03 120.40 110.01 3m82 s VAL 224 Ca -0.29 -1.73 0.13 0.00 -1.81 0.00 0.00 61.98 58.28 3m82 s VAL 224 Cb 0.08 -1.61 0.34 0.00 0.56 0.00 0.00 36.38 35.75 3m82 s VAL 224 CO 0.67 -0.30 1.26 -0.90 -0.31 0.00 0.00 175.10 175.52 3m82 n ASP 225 N 0.60 3.06 -4.82 4.85 5.68 -1.26 -4.71 116.55 119.95 3m82 n ASP 225 Ca -0.16 -2.57 -0.32 0.00 -0.50 0.00 0.00 54.79 51.25 3m82 n ASP 225 Cb 0.56 -0.35 0.01 0.00 -1.14 0.00 0.00 41.12 40.20 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 -2.00 4.11 0.39 2.12 -4.23 -1.26 -4.69 115.64 110.07 3m82 s THR 226 Ca 0.28 0.90 -0.23 0.00 -1.18 0.00 0.00 61.69 61.46 3m82 s THR 226 Cb 0.21 -3.51 -0.10 0.00 1.34 0.00 0.00 72.50 70.44 3m82 s THR 226 CO 0.09 -0.69 0.97 -1.00 -0.54 0.00 0.00 174.62 173.46 3m82 s HIS 227 N -2.69 3.41 -1.10 3.99 3.76 -1.26 -0.80 115.29 120.61 3m82 s HIS 227 Ca 0.60 1.67 0.26 0.00 -0.15 0.00 0.00 55.06 57.45 3m82 s HIS 227 Cb -0.14 -2.95 0.67 0.00 1.11 0.00 0.00 32.58 31.28 3m82 s HIS 227 CO 0.41 -0.16 1.52 -0.35 -0.85 0.00 0.00 174.74 175.32 3m82 n PRO 228 N -0.14 0.10 -0.25 8.40 -0.05 -1.26 -4.89 135.00 136.91 3m82 n PRO 228 Ca 0.05 -0.05 0.14 0.00 -0.05 0.00 0.00 63.50 63.59 3m82 n PRO 228 Cb 0.52 -1.50 0.42 0.00 -0.05 0.00 0.00 33.50 32.89 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 0.13 0.72 -0.12 0.54 0.05 -1.86 -1.89 116.97 114.54 3m82 h TYR 229 Ca 0.00 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.84 3m82 h TYR 229 Cb 0.49 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 38.00 3m82 h TYR 229 CO 0.00 0.24 0.30 0.00 -1.05 0.00 0.00 178.16 177.66 3m82 h ALA 230 N 1.61 1.54 -0.53 3.88 0.00 -1.24 -1.33 119.26 123.18 3m82 h ALA 230 Ca 0.45 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 3m82 h ALA 230 Cb 0.85 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3m82 h ALA 230 CO -0.20 -0.36 0.26 0.93 0.00 0.00 0.00 179.25 179.88 3m82 h GLU 231 N 0.00 0.74 -0.04 0.00 5.08 -1.62 -0.43 114.58 118.31 3m82 h GLU 231 Ca 0.06 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3m82 h GLU 231 Cb 0.66 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3m82 h GLU 231 CO -0.00 0.58 -0.13 0.82 -1.00 0.00 0.00 179.01 179.27 3m82 h ILE 232 N 0.75 1.47 -0.32 3.13 2.04 -1.43 -2.47 117.51 120.67 3m82 h ILE 232 Ca 0.19 -1.58 0.06 0.00 1.00 0.00 0.00 64.86 64.52 3m82 h ILE 232 Cb 0.07 2.42 -0.05 0.00 -0.74 0.00 0.00 36.82 38.52 3m82 h ILE 232 CO -0.03 0.43 -0.01 0.74 0.00 0.00 0.00 178.15 179.28 3m82 h THR 233 N -0.42 0.75 -0.85 -0.27 2.02 -1.53 -0.49 112.91 112.12 3m82 h THR 233 Ca -0.01 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 3m82 h THR 233 Cb 0.77 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 3m82 h THR 233 CO 0.03 0.01 0.41 0.78 0.37 0.00 0.00 175.52 177.12 3m82 h ASN 234 N 0.08 1.10 -0.13 4.18 2.35 -1.13 0.11 115.58 122.14 3m82 h ASN 234 Ca 0.16 -0.13 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3m82 h ASN 234 Cb 0.22 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 3m82 h ASN 234 CO -0.27 0.92 0.01 0.15 -1.65 0.00 0.00 177.43 176.59 3m82 h PHE 235 N 1.20 0.02 -0.28 1.19 3.04 -1.06 -2.99 116.94 118.06 3m82 h PHE 235 Ca 0.29 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.21 3m82 h PHE 235 Cb 0.11 0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 3m82 h PHE 235 CO 0.01 -0.00 0.00 -0.07 -2.02 0.00 0.00 178.31 176.24 3m82 h LEU 236 N 0.06 0.40 -1.87 0.59 3.38 -0.32 0.19 115.31 117.74 3m82 h LEU 236 Ca 0.06 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3m82 h LEU 236 Cb 0.06 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3m82 h LEU 236 CO -0.09 0.46 0.15 0.11 0.09 0.00 0.00 178.44 179.17 3m82 h LYS 237 N 0.42 0.16 0.00 1.13 1.57 -0.68 -3.24 116.57 115.94 3m82 h LYS 237 Ca 0.09 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.69 3m82 h LYS 237 Cb 0.28 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 3m82 h LYS 237 CO 0.01 0.11 -1.21 2.41 -0.57 0.00 0.00 179.45 180.19 3m82 n THR 238 N -4.50 1.49 -2.33 -0.16 -1.04 -0.97 -4.68 114.28 102.09 3m82 n THR 238 Ca 0.01 0.01 -0.43 0.00 -2.04 0.00 0.00 64.05 61.61 3m82 n THR 238 Cb 0.18 -2.16 0.00 0.00 -1.82 0.00 0.00 70.33 66.54 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 -4.46 3.26 0.30 -1.42 8.25 0.02 -4.76 115.22 116.41 3m82 n HIS 239 Ca -0.26 -2.87 0.16 0.00 -0.26 0.00 0.00 57.72 54.48 3m82 n HIS 239 Cb 0.57 -2.06 0.60 0.00 1.12 0.00 0.00 29.99 30.22 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 5.96 0.00 -0.00 -0.41 3.08 -1.83 -1.07 114.38 120.10 3m82 h ARG 240 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 3m82 h ARG 240 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3m82 h ARG 240 CO 1.61 0.00 -0.06 -0.40 -1.07 0.00 0.00 179.97 180.06 3m82 n ASP 241 N -2.93 0.49 -0.58 7.04 5.75 -1.26 -4.41 116.55 120.66 3m82 n ASP 241 Ca 0.01 -0.82 0.06 0.00 -0.01 0.00 0.00 54.79 54.04 3m82 n ASP 241 Cb 0.32 -0.05 0.17 0.00 -1.03 0.00 0.00 41.12 40.52 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 -0.79 2.73 -0.01 0.11 4.76 -0.40 -4.76 118.16 119.79 3m82 n LYS 242 Ca 0.18 -2.33 -0.11 0.00 -2.87 0.00 0.00 58.31 53.18 3m82 n LYS 242 Cb 0.24 -1.47 -0.05 0.00 -1.84 0.00 0.00 35.03 31.91 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 1.43 0.12 -0.31 1.97 4.81 -1.77 -0.74 114.58 120.10 3m82 h GLU 243 Ca 0.00 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3m82 h GLU 243 Cb 0.99 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 3m82 h GLU 243 CO 0.08 0.08 0.11 1.49 -0.73 0.00 0.00 179.01 180.05 3m82 h GLU 244 N 0.13 0.48 -0.90 1.92 4.81 -1.95 -2.52 114.58 116.56 3m82 h GLU 244 Ca 0.04 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3m82 h GLU 244 Cb -0.00 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 3m82 h GLU 244 CO -0.02 0.51 0.51 0.82 -0.73 0.00 0.00 179.01 180.09 3m82 h ILE 245 N 0.35 1.25 -0.12 2.32 2.04 -1.87 -1.27 117.51 120.22 3m82 h ILE 245 Ca 0.10 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 3m82 h ILE 245 Cb 0.22 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 3m82 h ILE 245 CO -0.01 0.28 0.06 0.58 0.00 0.00 0.00 178.15 179.06 3m82 h VAL 246 N 1.25 1.12 0.00 1.67 2.07 -0.97 -1.82 116.25 119.57 3m82 h VAL 246 Ca 0.32 -0.35 -0.12 0.00 0.82 0.00 0.00 66.70 67.36 3m82 h VAL 246 Cb -0.00 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3m82 h VAL 246 CO -0.05 0.11 -0.58 -0.26 0.02 0.00 0.00 177.57 176.81 3m82 h PHE 247 N 0.07 0.00 0.15 1.57 0.04 -1.38 -0.91 116.94 116.48 3m82 h PHE 247 Ca 0.04 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 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 -0.03 0.58 -0.07 -0.09 -0.60 0.00 0.00 178.31 178.10 3m82 h ARG 248 N 0.00 -0.20 -0.32 1.51 2.43 -1.15 -1.88 114.38 114.78 3m82 h ARG 248 Ca -0.01 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 3m82 h ARG 248 Cb 1.19 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.74 3m82 h ARG 248 CO 0.07 -0.03 0.08 1.15 -1.51 0.00 0.00 179.97 179.73 3m82 h THR 249 N -0.32 0.87 0.00 0.20 2.02 -1.06 -2.91 112.91 111.71 3m82 h THR 249 Ca -0.02 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 3m82 h THR 249 Cb 0.25 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3m82 h THR 249 CO 0.03 0.04 -0.15 -0.07 0.37 0.00 0.00 175.52 175.74 3m82 h LEU 250 N 0.21 0.00 -1.75 2.58 3.38 -1.10 -2.59 115.31 116.04 3m82 h LEU 250 Ca 0.15 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.20 3m82 h LEU 250 Cb 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3m82 h LEU 250 CO -0.18 0.15 0.33 0.77 0.09 0.00 0.00 178.44 179.61 3m82 h SER 251 N 0.00 0.26 0.64 -0.43 4.64 -1.13 -1.53 113.55 116.00 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 0.32 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3m82 h SER 251 CO 0.02 0.16 0.00 -1.22 -0.87 0.00 0.00 176.83 174.92 3m82 n TYR 252 N -4.46 0.03 -0.37 4.77 4.02 -0.98 -3.36 117.16 116.82 3m82 n TYR 252 Ca 0.07 0.01 0.01 0.00 -0.01 0.00 0.00 57.90 57.98 3m82 n TYR 252 Cb 0.35 -0.52 0.01 0.00 -0.02 0.00 0.00 39.34 39.16 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 -1.53 0.00 -2.77 -0.72 3.72 -0.60 -5.04 117.46 110.51 3m82 n PHE 253 Ca 0.04 -0.38 -0.42 0.00 -0.05 0.00 0.00 57.45 56.64 3m82 n PHE 253 Cb 0.22 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 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 -0.84 6.99 0.55 4.37 -1.08 -1.04 -4.86 116.67 120.75 3m82 s ASP 254 Ca 0.02 1.23 0.25 0.00 -0.52 0.00 0.00 52.55 53.53 3m82 s ASP 254 Cb 0.02 -2.49 1.44 0.00 -1.46 0.00 0.00 42.92 40.43 3m82 s ASP 254 CO 0.00 -0.57 2.03 1.23 0.52 0.00 0.00 175.17 178.38 3m82 h GLY 255 N 9.14 0.00 1.06 2.66 0.00 -1.34 -0.23 103.07 114.36 3m82 h GLY 255 Ca -0.22 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 3m82 h GLY 255 CO 0.92 0.00 0.26 -2.08 0.00 0.00 0.00 176.54 175.64 3m82 h VAL 256 N 0.00 1.26 0.00 4.60 2.07 -1.90 0.10 116.25 122.38 3m82 h VAL 256 Ca 0.19 -0.89 -0.13 0.00 0.82 0.00 0.00 66.70 66.68 3m82 h VAL 256 Cb 0.80 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3m82 h VAL 256 CO -0.00 0.36 -0.62 0.78 0.02 0.00 0.00 177.57 178.10 3m82 h ASN 257 N 1.14 0.00 -0.17 0.57 2.35 -1.38 -2.75 115.58 115.33 3m82 h ASN 257 Ca 0.25 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.89 3m82 h ASN 257 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3m82 h ASN 257 CO -0.01 0.62 -0.32 -0.26 -1.65 0.00 0.00 177.43 175.81 3m82 h PHE 258 N 0.00 0.65 -0.74 1.19 0.04 -1.44 -3.33 116.94 113.31 3m82 h PHE 258 Ca -0.01 -0.23 0.15 0.00 2.80 0.00 0.00 57.97 60.68 3m82 h PHE 258 Cb 1.18 -0.12 -0.10 0.00 2.20 0.00 0.00 35.95 39.11 3m82 h PHE 258 CO 0.00 0.95 0.24 0.00 -0.60 0.00 0.00 178.31 178.90 3m82 h ALA 259 N 0.58 1.00 -0.06 2.45 0.00 -0.72 -0.53 119.26 121.97 3m82 h ALA 259 Ca 0.01 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3m82 h ALA 259 Cb 0.91 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3m82 h ALA 259 CO 0.07 -0.28 0.20 0.00 0.00 0.00 0.00 179.25 179.24 3m82 h ALA 260 N 1.58 1.38 -0.00 0.00 0.00 -1.48 -2.06 119.26 118.68 3m82 h ALA 260 Ca 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3m82 h ALA 260 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3m82 h ALA 260 CO -0.46 -0.23 -0.54 0.54 0.00 0.00 0.00 179.25 178.56 3m82 n ARG 261 N -3.21 3.11 -2.68 0.00 1.74 -0.26 -4.62 116.66 110.73 3m82 n ARG 261 Ca -0.01 -0.03 -0.40 0.00 -0.77 0.00 0.00 57.85 56.64 3m82 n ARG 261 Cb 0.28 -1.05 -0.05 0.00 -1.02 0.00 0.00 32.46 30.61 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 -2.08 3.35 0.00 7.54 0.00 -0.86 -4.82 121.76 124.88 3m82 s ALA 262 Ca 0.05 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.69 3m82 s ALA 262 Cb 0.09 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.96 3m82 s ALA 262 CO 0.47 0.10 0.00 1.63 0.00 0.00 0.00 175.76 177.96 3m82 n LYS 263 N 1.56 1.85 -2.32 0.00 4.76 -1.26 -1.55 118.16 121.19 3m82 n LYS 263 Ca -0.01 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.10 3m82 n LYS 263 Cb 0.47 -0.86 -0.02 0.00 -1.84 0.00 0.00 35.03 32.78 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 -1.70 4.08 0.44 -0.18 -4.36 -1.26 -4.19 121.20 114.01 3m82 s ILE 264 Ca 0.00 1.07 -0.26 0.00 -0.26 0.00 0.00 60.65 61.21 3m82 s ILE 264 Cb 0.00 -3.52 -0.09 0.00 1.25 0.00 0.00 42.46 40.10 3m82 s ILE 264 CO 0.00 -0.50 1.38 -2.65 0.24 0.00 0.00 174.94 173.41 3m82 n PRO 265 N -1.57 2.16 -3.88 0.37 -0.02 -1.26 -4.25 135.00 126.56 3m82 n PRO 265 Ca 0.08 0.77 -0.12 0.00 -2.02 0.00 0.00 63.50 62.21 3m82 n PRO 265 Cb 0.53 -2.54 -0.14 0.00 -0.02 0.00 0.00 33.50 31.33 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 -1.19 0.00 -0.23 3.55 0.00 -0.34 -0.96 121.76 122.60 3m82 s ALA 266 Ca 0.61 -0.04 -0.03 0.00 0.00 0.00 0.00 51.96 52.50 3m82 s ALA 266 Cb -0.47 0.01 0.01 0.00 0.00 0.00 0.00 23.12 22.66 3m82 s ALA 266 CO 0.58 -0.01 -0.07 -1.17 0.00 0.00 0.00 175.76 175.09 3m82 s LEU 267 N -0.10 2.92 0.24 0.00 2.96 -0.40 -1.25 118.68 123.05 3m82 s LEU 267 Ca -0.01 -0.60 0.05 0.00 -0.22 0.00 0.00 54.13 53.35 3m82 s LEU 267 Cb -0.01 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 3m82 s LEU 267 CO -0.00 -0.06 0.33 -0.36 -1.32 0.00 0.00 176.35 174.94 3m82 s PHE 268 N 1.40 3.39 0.06 5.38 0.40 0.11 -1.05 117.98 127.67 3m82 s PHE 268 Ca 0.04 -0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.34 3m82 s PHE 268 Cb -0.15 -1.54 -0.03 0.00 0.51 0.00 0.00 43.02 41.81 3m82 s PHE 268 CO -0.05 0.45 -0.06 -1.54 0.70 0.00 0.00 175.22 174.72 3m82 s SER 269 N -3.96 0.81 -0.12 1.36 1.04 -0.82 -1.25 113.70 110.77 3m82 s SER 269 Ca 0.34 -0.75 -0.12 0.00 0.48 0.00 0.00 55.95 55.90 3m82 s SER 269 Cb -0.09 0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.15 3m82 s SER 269 CO 0.28 -0.36 0.34 0.54 0.98 0.00 0.00 173.24 175.02 3m82 s VAL 270 N -2.47 0.01 -0.24 5.02 0.11 -0.80 -1.66 120.40 120.36 3m82 s VAL 270 Ca -0.01 -0.04 -0.08 0.00 -2.93 0.00 0.00 61.98 58.91 3m82 s VAL 270 Cb -0.03 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 3m82 s VAL 270 CO -0.03 -0.02 0.10 -0.83 -3.33 0.00 0.00 175.10 170.99 3m82 s GLY 271 N 0.05 1.85 0.25 6.54 0.00 -1.26 -1.31 107.32 113.44 3m82 s GLY 271 Ca -0.01 -1.00 0.24 0.00 0.00 0.00 0.00 44.72 43.95 3m82 s GLY 271 CO 0.01 0.43 1.73 1.04 0.00 0.00 0.00 173.10 176.30 3m82 n LEU 272 N 4.55 0.70 -1.21 0.66 4.77 -0.82 -2.04 117.00 123.60 3m82 n LEU 272 Ca -0.16 0.64 0.08 0.00 -0.03 0.00 0.00 56.01 56.55 3m82 n LEU 272 Cb 0.52 -0.52 0.29 0.00 -2.33 0.00 0.00 43.42 41.38 3m82 n LEU 272 CO 0.33 -0.47 0.75 0.23 -1.33 0.00 0.00 177.39 176.90 3m82 n MET 273 N -2.24 3.46 -2.20 3.23 2.81 -0.69 -4.61 117.12 116.87 3m82 n MET 273 Ca 0.03 -2.75 -0.43 0.00 -1.81 0.00 0.00 57.70 52.74 3m82 n MET 273 Cb 0.28 -1.80 -0.02 0.00 -0.71 0.00 0.00 33.22 30.96 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 -1.25 6.40 0.00 7.83 -1.08 -0.87 -4.42 116.67 123.28 3m82 s ASP 274 Ca 0.43 1.40 0.18 0.00 -0.52 0.00 0.00 52.55 54.04 3m82 s ASP 274 Cb 0.30 -2.53 0.34 0.00 -1.46 0.00 0.00 42.92 39.57 3m82 s ASP 274 CO 0.17 -1.27 1.27 -0.46 0.52 0.00 0.00 175.17 175.39 3m82 n ASN 275 N 8.45 3.07 -0.11 -0.34 6.94 -1.26 -3.70 115.26 128.32 3m82 n ASN 275 Ca 0.18 -1.89 -0.21 0.00 -0.02 0.00 0.00 54.58 52.63 3m82 n ASN 275 Cb 0.46 -0.21 -0.10 0.00 -2.36 0.00 0.00 39.78 37.57 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 1.10 1.52 -3.87 1.53 2.08 -1.26 -4.58 119.36 115.88 3m82 n ILE 276 Ca 0.15 -0.05 -0.32 0.00 0.56 0.00 0.00 62.75 63.09 3m82 n ILE 276 Cb 0.50 -2.06 -0.13 0.00 -0.75 0.00 0.00 39.64 37.21 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 -0.10 3.34 0.42 0.00 0.02 -1.24 -4.72 135.00 132.73 3m82 s PRO 278 Ca 0.16 2.22 0.18 0.00 0.02 0.00 0.00 61.00 63.58 3m82 s PRO 278 Cb -0.23 -2.37 1.10 0.00 0.02 0.00 0.00 34.50 33.01 3m82 s PRO 278 CO -0.02 -1.02 1.86 -1.35 -0.33 0.00 0.00 177.00 176.14 3m82 h PRO 279 N 1.74 0.38 0.00 5.54 0.11 -1.78 -1.20 132.00 136.79 3m82 h PRO 279 Ca -0.51 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 3m82 h PRO 279 Cb 1.29 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3m82 h PRO 279 CO 0.58 0.25 -0.32 0.66 -0.21 0.00 0.00 178.00 178.96 3m82 h SER 280 N 0.39 0.00 0.30 -2.05 4.64 -1.94 -0.29 113.55 114.60 3m82 h SER 280 Ca 0.46 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.48 3m82 h SER 280 Cb 1.17 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.29 3m82 h SER 280 CO -0.17 0.32 -1.31 0.71 -0.87 0.00 0.00 176.83 175.51 3m82 h THR 281 N 0.00 1.33 -0.21 2.95 1.35 -1.55 -1.81 112.91 114.99 3m82 h THR 281 Ca -0.00 -2.67 -0.04 0.00 -0.55 0.00 0.00 66.41 63.14 3m82 h THR 281 Cb 0.63 2.85 -0.01 0.00 -1.73 0.00 0.00 68.15 69.90 3m82 h THR 281 CO 0.04 0.80 -0.03 0.58 -0.25 0.00 0.00 175.52 176.66 3m82 h VAL 282 N 0.19 1.28 -0.41 6.82 2.07 -1.47 -2.67 116.25 122.05 3m82 h VAL 282 Ca -0.20 -0.99 -0.09 0.00 0.82 0.00 0.00 66.70 66.25 3m82 h VAL 282 Cb 2.00 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 33.26 3m82 h VAL 282 CO 0.24 0.30 -0.10 -0.26 0.02 0.00 0.00 177.57 177.77 3m82 h PHE 283 N 0.12 0.80 -0.34 1.57 0.04 -1.15 0.09 116.94 118.07 3m82 h PHE 283 Ca 0.05 -0.14 0.05 0.00 2.80 0.00 0.00 57.97 60.74 3m82 h PHE 283 Cb 0.47 -0.21 -0.05 0.00 2.20 0.00 0.00 35.95 38.36 3m82 h PHE 283 CO 0.05 0.80 0.05 0.00 -0.60 0.00 0.00 178.31 178.61 3m82 h ALA 284 N 1.22 0.35 -0.14 2.45 0.00 -1.31 0.21 119.26 122.03 3m82 h ALA 284 Ca 0.12 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3m82 h ALA 284 Cb 0.56 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3m82 h ALA 284 CO 0.03 -0.36 0.06 0.00 0.00 0.00 0.00 179.25 178.99 3m82 h ALA 285 N 1.27 0.19 -0.48 0.00 0.00 -1.22 -2.75 119.26 116.27 3m82 h ALA 285 Ca 0.16 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3m82 h ALA 285 Cb 0.20 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3m82 h ALA 285 CO -0.23 -0.23 0.28 -0.92 0.00 0.00 0.00 179.25 178.14 3m82 h TYR 286 N 0.09 0.52 -0.22 0.00 3.20 -0.74 -1.39 116.97 118.43 3m82 h TYR 286 Ca 0.05 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.85 3m82 h TYR 286 Cb 0.16 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 3m82 h TYR 286 CO -0.02 0.29 -0.25 -0.91 -1.64 0.00 0.00 178.16 175.64 3m82 h ASN 287 N 0.56 0.42 1.47 -2.11 2.35 -0.58 -2.69 115.58 115.00 3m82 h ASN 287 Ca 0.19 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3m82 h ASN 287 Cb 0.03 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.29 3m82 h ASN 287 CO -0.10 0.67 -0.05 1.88 -1.65 0.00 0.00 177.43 178.19 3m82 h TYR 288 N 0.38 0.00 -2.17 1.19 0.05 -1.33 -3.47 116.97 111.62 3m82 h TYR 288 Ca 0.06 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.24 3m82 h TYR 288 Cb 0.64 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.42 3m82 h TYR 288 CO 0.02 0.00 1.00 0.98 -1.05 0.00 0.00 178.16 179.10 3m82 n TYR 289 N -2.32 2.34 1.10 4.88 9.36 -0.54 -3.31 117.16 128.67 3m82 n TYR 289 Ca 0.05 0.07 0.12 0.00 3.32 0.00 0.00 57.90 61.46 3m82 n TYR 289 Cb 0.44 -2.63 0.14 0.00 -0.63 0.00 0.00 39.34 36.66 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 5.41 3.33 -2.02 2.98 0.00 -0.81 -4.93 120.51 124.48 3m82 n ALA 290 Ca 0.20 -0.56 -0.19 0.00 0.00 0.00 0.00 53.44 52.89 3m82 n ALA 290 Cb 0.30 -0.92 0.05 0.00 0.00 0.00 0.00 19.45 18.88 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 -2.45 1.81 0.31 0.00 0.00 -0.60 -4.73 107.32 101.65 3m82 s GLY 291 Ca 0.21 -1.94 -0.29 0.00 0.00 0.00 0.00 44.72 42.70 3m82 s GLY 291 CO 0.54 -1.56 1.52 -4.14 0.00 0.00 0.00 173.10 169.45 3m82 s PRO 292 N -4.60 4.16 -0.03 2.90 0.02 -1.26 -4.86 135.00 131.33 3m82 s PRO 292 Ca 0.60 2.50 -0.15 0.00 0.02 0.00 0.00 61.00 63.97 3m82 s PRO 292 Cb -0.07 -3.03 0.03 0.00 0.02 0.00 0.00 34.50 31.45 3m82 s PRO 292 CO 0.37 -0.54 0.33 -1.59 -0.33 0.00 0.00 177.00 175.25 3m82 s LYS 293 N -1.00 0.66 0.09 5.54 -2.85 -1.26 -1.20 119.74 119.72 3m82 s LYS 293 Ca 0.59 -0.10 0.02 0.00 -1.00 0.00 0.00 55.97 55.48 3m82 s LYS 293 Cb -0.46 0.30 -0.04 0.00 -2.06 0.00 0.00 37.83 35.57 3m82 s LYS 293 CO 0.52 -0.18 -0.07 -1.21 0.10 0.00 0.00 175.35 174.51 3m82 s GLU 294 N -1.15 0.80 -0.03 1.78 2.02 -0.38 -4.97 118.70 116.76 3m82 s GLU 294 Ca -0.12 -1.22 0.02 0.00 0.02 0.00 0.00 54.97 53.67 3m82 s GLU 294 Cb -0.05 -0.29 0.01 0.00 0.10 0.00 0.00 34.13 33.90 3m82 s GLU 294 CO 0.04 0.01 -0.06 -1.50 0.02 0.00 0.00 175.26 173.77 3m82 s ILE 295 N -3.06 0.62 -0.22 -1.63 2.07 -1.26 -0.71 121.20 117.01 3m82 s ILE 295 Ca 0.08 -0.22 -0.10 0.00 -1.41 0.00 0.00 60.65 59.00 3m82 s ILE 295 Cb 0.01 -0.59 -0.05 0.00 0.13 0.00 0.00 42.46 41.96 3m82 s ILE 295 CO -0.03 0.22 0.14 -0.13 -1.91 0.00 0.00 174.94 173.24 3m82 s ARG 296 N 0.56 4.12 -0.17 3.50 1.81 -0.38 -4.96 118.95 123.43 3m82 s ARG 296 Ca -0.08 -0.25 -0.02 0.00 -1.72 0.00 0.00 55.73 53.66 3m82 s ARG 296 Cb -0.11 -3.47 -0.01 0.00 -0.45 0.00 0.00 34.95 30.90 3m82 s ARG 296 CO 0.00 0.18 -0.07 0.42 -0.68 0.00 0.00 175.30 175.15 3m82 s ILE 297 N 0.71 3.37 -0.52 1.52 1.01 -1.26 -1.91 121.20 124.11 3m82 s ILE 297 Ca 0.08 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.22 3m82 s ILE 297 Cb -0.12 -2.48 0.13 0.00 0.01 0.00 0.00 42.46 40.00 3m82 s ILE 297 CO 0.01 0.47 0.28 -0.31 0.00 0.00 0.00 174.94 175.40 3m82 s TYR 298 N 0.84 3.34 0.48 3.97 2.02 -0.43 -4.99 117.35 122.58 3m82 s TYR 298 Ca -0.02 -2.99 0.19 0.00 -0.37 0.00 0.00 57.07 53.88 3m82 s TYR 298 Cb -0.15 -2.96 1.25 0.00 -0.40 0.00 0.00 41.96 39.70 3m82 s TYR 298 CO 0.01 -0.81 2.08 -1.35 -1.57 0.00 0.00 175.55 173.91 3m82 h PRO 299 N 6.85 0.00 -0.16 -1.71 0.11 -1.96 -2.14 132.00 132.99 3m82 h PRO 299 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3m82 h PRO 299 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3m82 h PRO 299 CO 0.68 0.10 0.00 0.66 -0.21 0.00 0.00 178.00 179.23 3m82 n TYR 300 N -4.20 0.20 -3.76 0.65 4.01 -1.26 -3.99 117.16 108.81 3m82 n TYR 300 Ca -0.03 -0.16 -0.33 0.00 -0.16 0.00 0.00 57.90 57.22 3m82 n TYR 300 Cb 0.18 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.16 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 -1.19 6.48 0.00 7.72 -0.87 -1.10 -4.86 114.94 121.12 3m82 s ASN 301 Ca 0.22 0.53 0.00 0.00 -1.57 0.00 0.00 52.86 52.05 3m82 s ASN 301 Cb 0.14 -2.07 0.00 0.00 -0.02 0.00 0.00 41.25 39.30 3m82 s ASN 301 CO 0.20 0.19 0.00 0.59 -2.57 0.00 0.00 177.10 175.51 3m82 n ASN 302 N 0.75 0.00 0.30 -1.22 4.13 -1.26 -1.71 115.26 116.25 3m82 n ASN 302 Ca -0.08 0.00 0.19 0.00 1.68 0.00 0.00 54.58 56.37 3m82 n ASN 302 Cb 0.52 0.00 0.94 0.00 -1.54 0.00 0.00 39.78 39.70 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 -0.02 3.10 -0.00 -1.92 -1.80 115.15 114.52 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 0.02 0.05 1.05 -0.00 0.00 0.00 177.93 179.05 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 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.34 3m82 h GLU 304 CO 0.00 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.47 3m82 n GLY 305 N -1.18 2.93 0.26 1.06 0.00 -0.67 -2.27 105.19 105.32 3m82 n GLY 305 Ca -0.03 -0.32 0.15 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.50 7.00 -0.02 0.00 -1.26 -4.80 105.19 105.60 3m82 n GLY 306 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 1.16 2.75 0.22 -0.02 0.00 -0.96 -1.80 105.19 106.54 3m82 n GLY 307 Ca 0.19 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.18 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 1.30 0.00 -0.53 1.61 0.02 -1.95 -2.18 113.55 111.81 3m82 h SER 308 Ca 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 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 0.26 0.35 -0.26 -1.14 0.00 0.00 176.83 176.04 3m82 h PHE 309 N 0.00 0.67 -0.17 3.45 -1.00 -1.78 -2.85 116.94 115.25 3m82 h PHE 309 Ca -0.00 0.02 -0.09 0.00 2.81 0.00 0.00 57.97 60.70 3m82 h PHE 309 Cb 0.64 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.97 3m82 h PHE 309 CO 0.00 0.42 -0.28 0.37 -1.61 0.00 0.00 178.31 177.20 3m82 h GLN 310 N 0.72 0.33 -0.54 1.51 5.75 -0.81 -2.49 115.11 119.57 3m82 h GLN 310 Ca 0.20 -0.12 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 3m82 h GLN 310 Cb -0.08 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.42 3m82 h GLN 310 CO -0.05 0.59 0.34 0.00 -2.65 0.00 0.00 178.83 177.06 3m82 h ALA 311 N 1.41 0.69 -0.49 3.38 0.00 -1.41 -0.21 119.26 122.64 3m82 h ALA 311 Ca 0.04 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3m82 h ALA 311 Cb 0.66 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3m82 h ALA 311 CO 0.05 0.07 0.26 0.28 0.00 0.00 0.00 179.25 179.91 3m82 h VAL 312 N 0.68 0.99 -0.92 0.00 2.07 -1.40 -2.26 116.25 115.40 3m82 h VAL 312 Ca 0.21 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.59 3m82 h VAL 312 Cb -0.02 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.13 3m82 h VAL 312 CO -0.08 0.09 0.60 -0.33 0.02 0.00 0.00 177.57 177.88 3m82 h GLU 313 N 0.51 1.11 -0.13 1.57 4.39 -0.87 -2.04 114.58 119.12 3m82 h GLU 313 Ca 0.21 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.80 3m82 h GLU 313 Cb 0.09 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.48 3m82 h GLU 313 CO -0.13 0.74 -0.08 1.96 -1.16 0.00 0.00 179.01 180.34 3m82 h GLN 314 N 1.15 0.28 -0.45 2.33 4.20 -0.80 0.76 115.11 122.57 3m82 h GLN 314 Ca 0.37 -0.13 0.03 0.00 0.06 0.00 0.00 58.65 58.98 3m82 h GLN 314 Cb 0.03 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3m82 h GLN 314 CO -0.11 0.63 0.25 0.28 -0.67 0.00 0.00 178.83 179.20 3m82 h VAL 315 N -0.08 1.01 -0.68 -0.54 2.07 -1.32 -1.71 116.25 115.00 3m82 h VAL 315 Ca 0.03 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3m82 h VAL 315 Cb 0.56 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3m82 h VAL 315 CO 0.02 0.09 0.34 0.11 0.02 0.00 0.00 177.57 178.15 3m82 h LYS 316 N 0.49 0.98 -0.33 1.57 1.57 -1.32 -1.98 116.57 117.55 3m82 h LYS 316 Ca 0.18 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3m82 h LYS 316 Cb 0.05 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 3m82 h LYS 316 CO -0.11 0.77 0.11 0.35 -0.57 0.00 0.00 179.45 180.00 3m82 h PHE 317 N 0.95 0.19 -0.09 -1.35 3.57 -0.56 -2.41 116.94 117.24 3m82 h PHE 317 Ca 0.24 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.53 3m82 h PHE 317 Cb 0.11 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 38.82 3m82 h PHE 317 CO 0.00 0.08 -0.84 -0.07 -2.23 0.00 0.00 178.31 175.25 3m82 h LEU 318 N 0.25 0.78 0.05 0.59 3.38 -1.27 -0.86 115.31 118.22 3m82 h LEU 318 Ca 0.15 -0.55 0.02 0.00 0.09 0.00 0.00 57.88 57.59 3m82 h LEU 318 Cb 0.12 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3m82 h LEU 318 CO -0.16 1.33 -0.22 0.50 0.09 0.00 0.00 178.44 179.98 3m82 h LYS 319 N 0.41 -0.37 -0.64 1.13 3.64 -1.31 -1.76 116.57 117.69 3m82 h LYS 319 Ca -0.07 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3m82 h LYS 319 Cb 1.46 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.33 3m82 h LYS 319 CO 0.16 -0.24 0.28 -0.22 -2.27 0.00 0.00 179.45 177.16 3m82 h LYS 320 N -0.38 0.94 -0.51 1.90 3.64 -1.46 -2.53 116.57 118.18 3m82 h LYS 320 Ca 0.05 -0.15 0.05 0.00 -1.27 0.00 0.00 60.65 59.32 3m82 h LYS 320 Cb 0.44 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 3m82 h LYS 320 CO -0.17 0.77 0.25 1.25 -2.27 0.00 0.00 179.45 179.28 3m82 h LEU 321 N 0.89 0.34 -0.84 5.20 5.85 -0.93 -3.04 115.31 122.78 3m82 h LEU 321 Ca 0.22 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3m82 h LEU 321 Cb 0.16 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3m82 h LEU 321 CO -0.02 0.24 -0.05 0.49 -0.34 0.00 0.00 178.44 178.76 3m82 n PHE 322 N -4.90 0.00 1.75 1.25 3.72 -0.68 -5.09 117.46 113.51 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 0.15 -0.02 0.83 0.00 -0.94 0.00 0.00 39.48 39.50 3m82 n PHE 322 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10