#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m81 n PHE 4 N 0.00 0.00 -3.24 1.38 -1.74 -1.26 -5.00 117.46 107.60 3m81 n PHE 4 Ca 0.00 0.00 -0.05 0.00 -0.56 0.00 0.00 57.45 56.84 3m81 n PHE 4 Cb 0.00 -0.03 0.01 0.00 1.52 0.00 0.00 39.48 40.98 3m81 n PHE 4 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 3m81 n ASP 5 N -1.53 0.87 -4.67 5.98 -0.08 -1.26 -5.06 116.55 110.81 3m81 n ASP 5 Ca 0.03 -1.41 -0.42 0.00 -1.51 0.00 0.00 54.79 51.49 3m81 n ASP 5 Cb 0.33 -0.07 0.01 0.00 2.34 0.00 0.00 41.12 43.73 3m81 n ASP 5 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3m81 n LEU 6 N 0.00 3.41 -4.67 -2.67 4.77 -1.26 -4.95 117.00 111.62 3m81 n LEU 6 Ca 0.02 1.11 -0.36 0.00 -0.03 0.00 0.00 56.01 56.75 3m81 n LEU 6 Cb 0.15 -1.44 0.08 0.00 -2.33 0.00 0.00 43.42 39.88 3m81 n LEU 6 CO 0.09 -0.91 0.71 -0.81 -1.33 0.00 0.00 177.39 175.14 3m81 n PRO 7 N 0.18 0.77 -0.22 3.23 -0.04 -1.26 -4.67 135.00 133.00 3m81 n PRO 7 Ca 0.07 0.32 0.08 0.00 -0.04 0.00 0.00 63.50 63.94 3m81 n PRO 7 Cb 0.38 -2.36 0.35 0.00 -0.04 0.00 0.00 33.50 31.83 3m81 n PRO 7 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3m81 h LEU 8 N 0.10 0.68 -1.24 1.53 5.85 -1.99 -0.64 115.31 119.60 3m81 h LEU 8 Ca -0.49 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.25 3m81 h LEU 8 Cb 1.34 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 3m81 h LEU 8 CO 0.50 0.41 0.50 -0.33 -0.34 0.00 0.00 178.44 179.18 3m81 h GLU 9 N 0.76 1.01 0.15 1.25 3.07 -2.00 -1.36 114.58 117.46 3m81 h GLU 9 Ca 0.37 -0.06 -0.30 0.00 -0.50 0.00 0.00 59.36 58.86 3m81 h GLU 9 Cb 0.42 -0.23 0.03 0.00 -0.84 0.00 0.00 28.75 28.13 3m81 h GLU 9 CO -0.14 0.67 -1.29 0.93 -1.40 0.00 0.00 179.01 177.78 3m81 h GLU 10 N 1.04 0.53 -0.95 2.33 5.08 -1.52 -3.28 114.58 117.81 3m81 h GLU 10 Ca 0.28 -0.77 0.08 0.00 -1.00 0.00 0.00 59.36 57.95 3m81 h GLU 10 Cb -0.11 0.27 -0.07 0.00 0.50 0.00 0.00 28.75 29.34 3m81 h GLU 10 CO -0.06 1.35 0.61 -0.07 -1.00 0.00 0.00 179.01 179.85 3m81 h LEU 11 N 0.20 0.93 -2.34 1.33 3.38 -0.86 -0.94 115.31 117.01 3m81 h LEU 11 Ca -0.19 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3m81 h LEU 11 Cb 1.98 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.55 3m81 h LEU 11 CO 0.24 0.57 -0.00 0.11 0.09 0.00 0.00 178.44 179.45 3m81 h LYS 12 N 1.04 0.00 -0.01 1.13 1.57 -1.31 -2.60 116.57 116.39 3m81 h LYS 12 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 3m81 h LYS 12 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3m81 h LYS 12 CO -0.18 0.00 -0.14 1.63 -0.57 0.00 0.00 179.45 180.20 3m81 n LYS 13 N -3.10 1.49 -2.15 3.15 5.02 -0.66 -5.01 118.16 116.90 3m81 n LYS 13 Ca -0.02 -0.81 -0.43 0.00 -2.02 0.00 0.00 58.31 55.04 3m81 n LYS 13 Cb 0.17 -1.13 -0.02 0.00 -0.02 0.00 0.00 35.03 34.02 3m81 n LYS 13 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3m81 s TYR 14 N -1.21 2.08 -0.47 2.13 5.04 -0.45 -4.91 117.35 119.58 3m81 s TYR 14 Ca 0.10 0.63 0.06 0.00 -2.44 0.00 0.00 57.07 55.42 3m81 s TYR 14 Cb 0.09 -4.17 0.20 0.00 0.35 0.00 0.00 41.96 38.43 3m81 s TYR 14 CO 0.21 -2.58 0.45 0.54 -1.34 0.00 0.00 175.55 172.84 3m81 n ARG 15 N 8.15 0.79 -1.24 4.97 1.74 -1.26 -4.38 116.66 125.43 3m81 n ARG 15 Ca 0.20 -3.51 -0.33 0.00 -0.77 0.00 0.00 57.85 53.44 3m81 n ARG 15 Cb 0.47 -1.67 0.11 0.00 -1.02 0.00 0.00 32.46 30.35 3m81 n ARG 15 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3m81 s PRO 16 N -0.77 1.88 0.22 5.56 0.04 -1.26 -4.90 135.00 135.78 3m81 s PRO 16 Ca 0.33 1.63 -0.31 0.00 0.04 0.00 0.00 61.00 62.69 3m81 s PRO 16 Cb 0.08 -1.82 -0.11 0.00 0.04 0.00 0.00 34.50 32.69 3m81 s PRO 16 CO -0.15 -2.00 1.62 -2.00 0.04 0.00 0.00 177.00 174.50 3m81 s GLU 17 N -4.21 4.17 0.21 4.56 2.12 -1.26 -4.95 118.70 119.33 3m81 s GLU 17 Ca 0.71 2.50 -0.23 0.00 0.36 0.00 0.00 54.97 58.31 3m81 s GLU 17 Cb -0.26 -3.09 -0.08 0.00 0.26 0.00 0.00 34.13 30.96 3m81 s GLU 17 CO 0.49 -0.64 0.76 1.03 -0.54 0.00 0.00 175.26 176.36 3m81 s ARG 18 N 0.59 4.42 -0.17 4.30 0.52 -1.26 -5.06 118.95 122.28 3m81 s ARG 18 Ca 0.69 1.04 0.01 0.00 -0.52 0.00 0.00 55.73 56.94 3m81 s ARG 18 Cb -0.47 -3.04 0.01 0.00 0.52 0.00 0.00 34.95 31.98 3m81 s ARG 18 CO 0.37 0.46 -0.18 -0.47 0.02 0.00 0.00 175.30 175.50 3m81 s TYR 19 N -1.37 2.77 0.03 -0.53 5.04 -1.26 -5.10 117.35 116.94 3m81 s TYR 19 Ca 0.40 -1.43 -0.14 0.00 -2.44 0.00 0.00 57.07 53.46 3m81 s TYR 19 Cb -0.20 -1.91 0.02 0.00 0.35 0.00 0.00 41.96 40.23 3m81 s TYR 19 CO 0.23 -0.69 0.31 -1.83 -1.34 0.00 0.00 175.55 172.23 3m81 s GLU 20 N 1.13 0.80 0.64 4.97 -1.05 -1.26 -4.83 118.70 119.10 3m81 s GLU 20 Ca 0.01 -0.45 -0.12 0.00 -0.15 0.00 0.00 54.97 54.26 3m81 s GLU 20 Cb -0.14 0.35 -0.02 0.00 -0.44 0.00 0.00 34.13 33.87 3m81 s GLU 20 CO -0.08 -0.25 1.04 -1.21 0.95 0.00 0.00 175.26 175.71 3m81 s GLU 21 N -2.36 3.31 0.42 -4.83 0.41 -1.26 -4.96 118.70 109.42 3m81 s GLU 21 Ca -0.06 0.92 0.11 0.00 -0.41 0.00 0.00 54.97 55.53 3m81 s GLU 21 Cb -0.01 -2.04 0.89 0.00 -1.78 0.00 0.00 34.13 31.19 3m81 s GLU 21 CO -0.02 -0.80 1.97 0.87 -0.49 0.00 0.00 175.26 176.79 3m81 h LYS 22 N -0.27 0.18 -0.77 1.61 1.57 -2.04 -2.41 116.57 114.44 3m81 h LYS 22 Ca -0.45 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3m81 h LYS 22 Cb 1.20 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3m81 h LYS 22 CO 0.59 0.29 0.00 -0.40 -0.57 0.00 0.00 179.45 179.36 3m81 n ASP 23 N -4.33 2.96 -0.02 0.86 5.75 -1.26 -4.55 116.55 115.96 3m81 n ASP 23 Ca -0.01 -2.37 -0.13 0.00 -0.01 0.00 0.00 54.79 52.27 3m81 n ASP 23 Cb 0.23 -0.55 -0.08 0.00 -1.03 0.00 0.00 41.12 39.69 3m81 n ASP 23 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3m81 h PHE 24 N 1.77 -1.40 -0.54 2.11 3.04 -1.82 0.15 116.94 120.25 3m81 h PHE 24 Ca 0.00 0.06 -0.06 0.00 3.98 0.00 0.00 57.97 61.95 3m81 h PHE 24 Cb 1.09 0.63 -0.02 0.00 2.56 0.00 0.00 35.95 40.21 3m81 h PHE 24 CO 0.46 -0.51 0.09 -0.44 -2.02 0.00 0.00 178.31 175.90 3m81 h ASP 25 N -0.51 0.80 -0.49 0.41 3.32 -1.86 -2.63 116.42 115.45 3m81 h ASP 25 Ca 0.06 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 3m81 h ASP 25 Cb 0.65 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 3m81 h ASP 25 CO -0.44 0.81 0.10 -0.33 -1.72 0.00 0.00 179.24 177.66 3m81 h GLU 26 N 0.81 0.80 -0.60 3.56 3.07 -1.71 0.11 114.58 120.61 3m81 h GLU 26 Ca 0.17 -0.20 0.03 0.00 -0.50 0.00 0.00 59.36 58.86 3m81 h GLU 26 Cb 0.35 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.12 3m81 h GLU 26 CO 0.01 0.78 0.36 0.35 -1.40 0.00 0.00 179.01 179.11 3m81 h PHE 27 N 0.68 0.68 -0.27 4.33 3.57 -0.49 -1.39 116.94 124.04 3m81 h PHE 27 Ca 0.15 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.48 3m81 h PHE 27 Cb 0.36 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.88 3m81 h PHE 27 CO 0.02 0.38 -0.58 -1.49 -2.23 0.00 0.00 178.31 174.42 3m81 h TRP 28 N 0.71 1.09 -0.27 0.41 4.06 -1.06 -1.42 115.95 119.47 3m81 h TRP 28 Ca 0.24 -0.40 0.04 0.00 2.06 0.00 0.00 58.89 60.84 3m81 h TRP 28 Cb 0.04 -0.20 -0.04 0.00 -1.00 0.00 0.00 29.16 27.96 3m81 h TRP 28 CO -0.06 1.23 0.02 0.93 -3.56 0.00 0.00 178.44 177.01 3m81 h GLU 29 N 0.65 0.11 -0.61 0.49 5.08 -0.66 -0.78 114.58 118.86 3m81 h GLU 29 Ca 0.01 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3m81 h GLU 29 Cb 1.19 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 3m81 h GLU 29 CO 0.13 0.07 0.08 0.93 -1.00 0.00 0.00 179.01 179.21 3m81 h GLU 30 N 0.11 1.00 0.01 2.33 5.08 -1.21 -1.06 114.58 120.85 3m81 h GLU 30 Ca 0.13 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3m81 h GLU 30 Cb 0.15 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3m81 h GLU 30 CO -0.20 0.93 -0.01 1.15 -1.00 0.00 0.00 179.01 179.89 3m81 h THR 31 N 0.93 1.06 -0.35 1.13 2.02 -0.72 -0.35 112.91 116.63 3m81 h THR 31 Ca 0.18 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 3m81 h THR 31 Cb 0.44 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3m81 h THR 31 CO 0.01 0.06 0.04 -0.07 0.37 0.00 0.00 175.52 175.93 3m81 h LEU 32 N -0.11 0.57 -0.53 2.58 3.38 -1.13 -2.60 115.31 117.47 3m81 h LEU 32 Ca -0.00 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.71 3m81 h LEU 32 Cb 0.11 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3m81 h LEU 32 CO 0.00 0.70 0.32 0.00 0.09 0.00 0.00 178.44 179.56 3m81 h ALA 33 N 0.88 0.67 -0.91 1.53 0.00 -1.06 0.30 119.26 120.67 3m81 h ALA 33 Ca 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3m81 h ALA 33 Cb 0.39 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3m81 h ALA 33 CO 0.01 0.04 0.51 0.93 0.00 0.00 0.00 179.25 180.74 3m81 h GLU 34 N 0.64 1.26 0.00 0.00 5.08 -1.00 -2.72 114.58 117.85 3m81 h GLU 34 Ca 0.21 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 3m81 h GLU 34 Cb 0.00 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 3m81 h GLU 34 CO -0.09 0.92 -0.60 0.77 -1.00 0.00 0.00 179.01 179.01 3m81 h SER 35 N 1.27 0.00 1.04 1.42 0.02 -1.04 -3.10 113.55 113.16 3m81 h SER 35 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 3m81 h SER 35 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3m81 h SER 35 CO -0.05 0.60 0.00 -0.33 -1.14 0.00 0.00 176.83 175.90 3m81 h GLU 36 N 0.00 0.00 0.00 3.45 5.08 -0.64 -2.81 114.58 119.66 3m81 h GLU 36 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3m81 h GLU 36 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3m81 h GLU 36 CO 0.08 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.72 3m81 n LYS 37 N -2.80 0.18 -3.62 2.33 5.02 -1.13 -4.58 118.16 113.55 3m81 n LYS 37 Ca 0.02 0.45 -0.38 0.00 -2.02 0.00 0.00 58.31 56.38 3m81 n LYS 37 Cb 0.31 -1.87 -0.06 0.00 -0.02 0.00 0.00 35.03 33.39 3m81 n LYS 37 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3m81 s PHE 38 N -3.34 3.69 0.41 2.13 0.40 -1.06 -5.06 117.98 115.15 3m81 s PHE 38 Ca 0.03 0.85 -0.25 0.00 -0.60 0.00 0.00 56.93 56.95 3m81 s PHE 38 Cb 0.09 -2.18 -0.08 0.00 0.51 0.00 0.00 43.02 41.36 3m81 s PHE 38 CO 0.36 0.67 1.24 -2.14 0.70 0.00 0.00 175.22 176.04 3m81 s PRO 39 N -1.08 3.97 0.21 0.24 0.02 -1.26 -4.92 135.00 132.17 3m81 s PRO 39 Ca 0.21 1.99 -0.10 0.00 0.02 0.00 0.00 61.00 63.12 3m81 s PRO 39 Cb -0.15 -2.69 0.20 0.00 0.02 0.00 0.00 34.50 31.87 3m81 s PRO 39 CO 0.11 -0.43 1.84 1.25 -0.33 0.00 0.00 177.00 179.43 3m81 h LEU 40 N 2.60 0.67 -2.85 -5.54 5.85 -1.91 -3.42 115.31 110.70 3m81 h LEU 40 Ca -0.49 0.01 -0.47 0.00 0.84 0.00 0.00 57.88 57.76 3m81 h LEU 40 Cb 1.24 -0.13 0.03 0.00 0.37 0.00 0.00 40.66 42.17 3m81 h LEU 40 CO 0.62 0.45 -0.93 0.47 -0.34 0.00 0.00 178.44 178.72 3m81 n ASP 41 N -4.70 -3.47 -4.76 1.25 8.00 -1.26 -1.23 116.55 110.37 3m81 n ASP 41 Ca 0.07 -1.05 -0.41 0.00 0.71 0.00 0.00 54.79 54.12 3m81 n ASP 41 Cb 0.11 -3.07 -0.03 0.00 -0.02 0.00 0.00 41.12 38.10 3m81 n ASP 41 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3m81 s PRO 42 N -6.34 4.50 -0.10 -0.24 0.04 -1.26 -4.49 135.00 127.11 3m81 s PRO 42 Ca 0.32 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.35 3m81 s PRO 42 Cb -0.12 -3.15 0.02 0.00 0.04 0.00 0.00 34.50 31.29 3m81 s PRO 42 CO 0.88 -0.00 -0.10 0.08 0.04 0.00 0.00 177.00 177.91 3m81 s VAL 43 N -0.97 1.11 -0.15 -0.36 1.01 0.50 -4.99 120.40 116.55 3m81 s VAL 43 Ca 0.48 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.08 3m81 s VAL 43 Cb -0.35 -1.09 -0.00 0.00 0.00 0.00 0.00 36.38 34.93 3m81 s VAL 43 CO 0.45 0.37 -0.14 -0.36 0.00 0.00 0.00 175.10 175.42 3m81 s PHE 44 N 1.38 2.79 -0.17 5.22 0.08 -1.26 -1.70 117.98 124.32 3m81 s PHE 44 Ca -0.01 -0.95 -0.01 0.00 0.12 0.00 0.00 56.93 56.08 3m81 s PHE 44 Cb -0.14 -1.89 0.05 0.00 -0.57 0.00 0.00 43.02 40.47 3m81 s PHE 44 CO -0.05 -0.42 -0.04 -2.00 -0.10 0.00 0.00 175.22 172.61 3m81 s GLU 45 N 0.75 1.31 0.32 0.44 2.56 -0.55 -4.96 118.70 118.57 3m81 s GLU 45 Ca -0.06 -0.54 -0.29 0.00 0.00 0.00 0.00 54.97 54.08 3m81 s GLU 45 Cb -0.15 -2.05 -0.10 0.00 2.00 0.00 0.00 34.13 33.82 3m81 s GLU 45 CO 0.01 -0.48 1.37 0.50 -0.56 0.00 0.00 175.26 176.11 3m81 s ARG 46 N 1.65 4.29 -0.04 4.30 3.52 -1.26 -1.13 118.95 130.28 3m81 s ARG 46 Ca -0.00 2.30 -0.04 0.00 -0.13 0.00 0.00 55.73 57.86 3m81 s ARG 46 Cb -0.16 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 30.13 3m81 s ARG 46 CO -0.07 -0.31 0.16 -1.64 -0.81 0.00 0.00 175.30 172.63 3m81 s MET 47 N -1.46 3.40 0.00 5.12 -1.94 -0.21 -4.88 119.30 119.33 3m81 s MET 47 Ca 0.52 -0.28 -0.30 0.00 -1.71 0.00 0.00 55.69 53.92 3m81 s MET 47 Cb -0.41 -3.10 -0.05 0.00 2.01 0.00 0.00 34.83 33.28 3m81 s MET 47 CO 0.52 0.70 1.31 -1.21 -0.01 0.00 0.00 175.02 176.34 3m81 s GLU 48 N -1.64 4.33 0.02 2.03 2.02 -1.26 -4.77 118.70 119.42 3m81 s GLU 48 Ca 0.23 1.86 -0.14 0.00 0.02 0.00 0.00 54.97 56.94 3m81 s GLU 48 Cb -0.12 -3.51 0.02 0.00 0.10 0.00 0.00 34.13 30.62 3m81 s GLU 48 CO 0.14 -0.48 0.31 0.45 0.02 0.00 0.00 175.26 175.70 3m81 s SER 49 N 1.58 -0.16 0.00 -0.19 0.15 -1.26 -5.01 113.70 108.81 3m81 s SER 49 Ca 0.61 -0.06 0.29 0.00 0.70 0.00 0.00 55.95 57.49 3m81 s SER 49 Cb -0.30 0.34 1.19 0.00 -1.71 0.00 0.00 66.02 65.54 3m81 s SER 49 CO 0.26 -0.54 1.85 1.41 1.20 0.00 0.00 173.24 177.42 3m81 n HIS 50 N 0.89 0.00 -1.72 3.44 8.25 -1.26 -4.89 115.22 119.93 3m81 n HIS 50 Ca -0.20 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.83 3m81 n HIS 50 Cb 0.58 -0.26 -0.02 0.00 1.12 0.00 0.00 29.99 31.41 3m81 n HIS 50 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3m81 n LEU 51 N -1.17 3.85 -0.02 2.41 4.77 -1.26 -4.93 117.00 120.65 3m81 n LEU 51 Ca 0.12 1.16 -0.01 0.00 -0.03 0.00 0.00 56.01 57.26 3m81 n LEU 51 Cb 0.29 -1.52 -0.06 0.00 -2.33 0.00 0.00 43.42 39.80 3m81 n LEU 51 CO 0.25 -0.16 -0.67 0.29 -1.33 0.00 0.00 177.39 175.77 3m81 n LYS 52 N 1.75 1.80 0.00 3.23 4.76 -1.26 -4.70 118.16 123.74 3m81 n LYS 52 Ca 0.08 -0.03 0.11 0.00 -2.87 0.00 0.00 58.31 55.61 3m81 n LYS 52 Cb 0.35 -1.18 0.04 0.00 -1.84 0.00 0.00 35.03 32.40 3m81 n LYS 52 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3m81 n THR 53 N -2.06 0.00 -3.86 -0.18 -2.24 -1.26 -4.95 114.28 99.73 3m81 n THR 53 Ca -0.07 -0.37 -0.12 0.00 -2.27 0.00 0.00 64.05 61.22 3m81 n THR 53 Cb 0.52 1.36 -0.14 0.00 -2.10 0.00 0.00 70.33 69.97 3m81 n THR 53 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3m81 s VAL 54 N -2.22 -0.00 -0.10 2.28 1.01 -1.26 -1.06 120.40 119.05 3m81 s VAL 54 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 61.98 62.07 3m81 s VAL 54 Cb 0.19 -0.06 -0.05 0.00 0.00 0.00 0.00 36.38 36.46 3m81 s VAL 54 CO 0.44 0.00 0.33 -1.61 0.00 0.00 0.00 175.10 174.27 3m81 s GLU 55 N 0.03 4.04 -0.14 2.72 2.02 0.12 -4.83 118.70 122.67 3m81 s GLU 55 Ca -0.00 0.21 -0.02 0.00 0.02 0.00 0.00 54.97 55.17 3m81 s GLU 55 Cb -0.00 -3.33 -0.02 0.00 0.10 0.00 0.00 34.13 30.88 3m81 s GLU 55 CO -0.00 0.45 -0.07 0.00 0.02 0.00 0.00 175.26 175.67 3m81 s ALA 56 N -0.23 2.89 -0.05 5.21 0.00 -1.26 -0.93 121.76 127.39 3m81 s ALA 56 Ca 0.20 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.37 3m81 s ALA 56 Cb -0.14 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 3m81 s ALA 56 CO 0.08 0.24 -0.21 0.71 0.00 0.00 0.00 175.76 176.57 3m81 s TYR 57 N 0.31 2.52 -0.05 0.00 1.51 0.58 -1.04 117.35 121.18 3m81 s TYR 57 Ca -0.06 -0.49 -0.30 0.00 -1.01 0.00 0.00 57.07 55.21 3m81 s TYR 57 Cb -0.15 -1.61 -0.04 0.00 -0.11 0.00 0.00 41.96 40.06 3m81 s TYR 57 CO 0.04 -0.06 1.26 0.34 -1.11 0.00 0.00 175.55 176.01 3m81 s ASP 58 N -0.38 6.99 0.05 2.29 -1.08 -0.28 -1.13 116.67 123.14 3m81 s ASP 58 Ca 0.03 1.88 0.04 0.00 -0.52 0.00 0.00 52.55 53.99 3m81 s ASP 58 Cb -0.12 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 38.74 3m81 s ASP 58 CO 0.02 -0.63 -0.05 -0.69 0.52 0.00 0.00 175.17 174.34 3m81 s VAL 59 N 2.34 3.71 -0.08 1.11 1.01 -0.42 -1.49 120.40 126.58 3m81 s VAL 59 Ca 0.58 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 3m81 s VAL 59 Cb -0.26 -2.68 0.03 0.00 0.00 0.00 0.00 36.38 33.46 3m81 s VAL 59 CO 0.23 0.26 0.19 -0.89 0.00 0.00 0.00 175.10 174.89 3m81 s THR 60 N -1.13 -0.02 0.21 3.92 2.01 -0.69 -2.25 115.64 117.70 3m81 s THR 60 Ca 0.20 0.06 -0.15 0.00 0.31 0.00 0.00 61.69 62.12 3m81 s THR 60 Cb -0.11 -0.29 0.01 0.00 0.01 0.00 0.00 72.50 72.12 3m81 s THR 60 CO 0.12 0.03 0.49 0.72 -0.69 0.00 0.00 174.62 175.28 3m81 s PHE 61 N 0.53 0.11 -0.29 4.92 -0.71 -0.73 -0.37 117.98 121.44 3m81 s PHE 61 Ca -0.04 -0.47 -0.14 0.00 -1.04 0.00 0.00 56.93 55.25 3m81 s PHE 61 Cb -0.05 0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 42.01 3m81 s PHE 61 CO -0.03 -0.94 0.31 -1.12 -1.34 0.00 0.00 175.22 172.11 3m81 s SER 62 N -2.94 6.17 0.00 1.98 0.01 -0.37 -0.16 113.70 118.40 3m81 s SER 62 Ca 0.15 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.51 3m81 s SER 62 Cb -0.01 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 64.04 3m81 s SER 62 CO 0.02 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.11 3m81 n GLY 63 N 4.85 0.46 3.67 3.44 0.00 0.21 -4.77 105.19 113.05 3m81 n GLY 63 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3m81 n GLY 63 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3m81 s TYR 64 N 2.92 1.77 -1.48 1.61 5.04 -1.26 -3.48 117.35 122.46 3m81 s TYR 64 Ca 0.00 -0.13 -0.04 0.00 -2.44 0.00 0.00 57.07 54.46 3m81 s TYR 64 Cb 0.00 -4.13 0.03 0.00 0.35 0.00 0.00 41.96 38.21 3m81 s TYR 64 CO 0.00 -4.85 0.42 0.54 -1.34 0.00 0.00 175.55 170.32 3m81 n ARG 65 N 6.77 -2.91 -0.93 4.97 1.74 -1.26 -1.60 116.66 123.43 3m81 n ARG 65 Ca 0.18 0.35 0.00 0.00 -0.77 0.00 0.00 57.85 57.61 3m81 n ARG 65 Cb 0.41 -4.49 0.00 0.00 -1.02 0.00 0.00 32.46 27.35 3m81 n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3m81 n GLY 66 N -1.97 0.50 3.76 -0.13 0.00 -1.23 -4.98 105.19 101.14 3m81 n GLY 66 Ca -0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 3m81 n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3m81 s GLN 67 N -0.49 4.69 -0.27 1.61 -0.21 -0.63 -4.70 119.66 119.67 3m81 s GLN 67 Ca 0.00 1.73 -0.23 0.00 0.02 0.00 0.00 55.36 56.88 3m81 s GLN 67 Cb 0.00 -3.21 -0.01 0.00 1.00 0.00 0.00 33.01 30.79 3m81 s GLN 67 CO 0.00 0.28 0.75 1.03 -2.12 0.00 0.00 175.29 175.23 3m81 s ARG 68 N -1.34 4.09 -0.11 2.91 1.81 -1.26 -0.62 118.95 124.43 3m81 s ARG 68 Ca 0.44 0.70 -0.01 0.00 -1.72 0.00 0.00 55.73 55.14 3m81 s ARG 68 Cb -0.30 -3.67 -0.03 0.00 -0.45 0.00 0.00 34.95 30.49 3m81 s ARG 68 CO 0.39 -0.54 -0.06 0.42 -0.68 0.00 0.00 175.30 174.82 3m81 s ILE 69 N 2.78 3.70 0.56 1.52 -1.09 0.78 -4.82 121.20 124.62 3m81 s ILE 69 Ca 0.31 -0.45 -0.05 0.00 -2.23 0.00 0.00 60.65 58.23 3m81 s ILE 69 Cb -0.15 -2.56 0.00 0.00 -1.58 0.00 0.00 42.46 38.18 3m81 s ILE 69 CO 0.09 0.55 0.85 -0.54 -1.23 0.00 0.00 174.94 174.67 3m81 s LYS 70 N -0.21 2.97 0.11 2.79 -0.14 -1.26 -1.77 119.74 122.22 3m81 s LYS 70 Ca 0.03 -0.09 -0.18 0.00 -1.36 0.00 0.00 55.97 54.37 3m81 s LYS 70 Cb -0.13 -2.33 0.06 0.00 -1.68 0.00 0.00 37.83 33.75 3m81 s LYS 70 CO 0.03 -0.60 0.85 0.41 -0.76 0.00 0.00 175.35 175.27 3m81 n GLY 71 N -2.48 0.65 3.31 -3.33 0.00 -0.95 -1.90 105.19 100.50 3m81 n GLY 71 Ca 0.04 -1.08 -0.26 0.00 0.00 0.00 0.00 46.02 44.72 3m81 n GLY 71 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3m81 s TRP 72 N -2.80 1.98 -0.14 1.61 0.23 -0.34 -1.30 118.94 118.19 3m81 s TRP 72 Ca 0.19 -0.40 0.02 0.00 -2.03 0.00 0.00 56.10 53.88 3m81 s TRP 72 Cb -0.02 -1.11 0.01 0.00 0.03 0.00 0.00 33.47 32.38 3m81 s TRP 72 CO 0.03 0.21 -0.20 -1.17 0.96 0.00 0.00 176.95 176.78 3m81 s LEU 73 N -1.73 2.00 -0.20 2.99 2.96 -0.28 -0.48 118.68 123.94 3m81 s LEU 73 Ca 0.09 -0.56 -0.02 0.00 -0.22 0.00 0.00 54.13 53.41 3m81 s LEU 73 Cb -0.10 -1.35 -0.00 0.00 0.50 0.00 0.00 46.19 45.24 3m81 s LEU 73 CO 0.04 0.05 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.27 3m81 s LEU 74 N 0.94 2.71 -0.25 -0.68 2.01 0.11 -0.31 118.68 123.22 3m81 s LEU 74 Ca -0.05 -0.44 0.02 0.00 0.01 0.00 0.00 54.13 53.66 3m81 s LEU 74 Cb -0.15 -1.67 0.05 0.00 0.01 0.00 0.00 46.19 44.43 3m81 s LEU 74 CO -0.03 0.00 -0.11 -0.69 1.01 0.00 0.00 176.35 176.53 3m81 s VAL 75 N 1.34 2.32 0.38 -1.59 1.01 -0.11 -0.47 120.40 123.29 3m81 s VAL 75 Ca 0.04 -1.42 -0.25 0.00 0.00 0.00 0.00 61.98 60.35 3m81 s VAL 75 Cb -0.14 -2.28 -0.09 0.00 0.00 0.00 0.00 36.38 33.88 3m81 s VAL 75 CO -0.05 0.09 1.13 -2.16 0.00 0.00 0.00 175.10 174.11 3m81 s PRO 76 N 1.18 4.15 -0.92 2.72 0.04 -1.26 0.16 135.00 141.07 3m81 s PRO 76 Ca -0.05 1.75 -0.24 0.00 0.04 0.00 0.00 61.00 62.50 3m81 s PRO 76 Cb -0.18 -2.70 0.01 0.00 0.04 0.00 0.00 34.50 31.67 3m81 s PRO 76 CO -0.06 -0.21 1.60 0.15 0.04 0.00 0.00 177.00 178.53 3m81 s LYS 77 N -2.24 3.17 0.17 4.56 1.02 -0.22 -4.85 119.74 121.34 3m81 s LYS 77 Ca 0.56 -0.64 0.05 0.00 0.02 0.00 0.00 55.97 55.95 3m81 s LYS 77 Cb -0.29 -5.06 -0.05 0.00 -0.52 0.00 0.00 37.83 31.92 3m81 s LYS 77 CO 0.36 -2.58 -0.09 -0.51 -0.92 0.00 0.00 175.35 171.61 3m81 s LEU 78 N 6.87 2.48 0.20 3.17 1.43 -1.26 -4.99 118.68 126.58 3m81 s LEU 78 Ca 0.53 -1.05 -0.08 0.00 -1.03 0.00 0.00 54.13 52.50 3m81 s LEU 78 Cb -0.04 -0.37 0.13 0.00 0.03 0.00 0.00 46.19 45.94 3m81 s LEU 78 CO -0.02 -0.34 1.73 -0.08 0.23 0.00 0.00 176.35 177.87 3m81 h GLU 79 N 2.71 1.15 -6.52 1.70 4.22 -2.02 -3.45 114.58 112.36 3m81 h GLU 79 Ca -0.37 -0.26 -0.60 0.00 0.08 0.00 0.00 59.36 58.21 3m81 h GLU 79 Cb 1.20 -0.16 0.08 0.00 0.50 0.00 0.00 28.75 30.37 3m81 h GLU 79 CO 0.64 0.99 0.52 -1.91 -2.18 0.00 0.00 179.01 177.06 3m81 n GLU 80 N -4.25 1.80 -0.11 1.92 2.13 -1.26 -4.90 120.64 115.97 3m81 n GLU 80 Ca 0.06 0.64 -0.13 0.00 0.66 0.00 0.00 57.16 58.39 3m81 n GLU 80 Cb 0.24 -2.25 -0.03 0.00 0.27 0.00 0.00 31.44 29.66 3m81 n GLU 80 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3m81 h GLU 81 N 3.95 0.76 -5.67 5.31 3.07 -1.95 -3.43 114.58 116.63 3m81 h GLU 81 Ca -0.44 -0.38 -0.68 0.00 -0.50 0.00 0.00 59.36 57.35 3m81 h GLU 81 Cb 1.29 0.00 -0.30 0.00 -0.84 0.00 0.00 28.75 28.91 3m81 h GLU 81 CO 0.74 1.01 -0.84 0.15 -1.40 0.00 0.00 179.01 178.66 3m81 s LYS 82 N -4.43 2.91 0.12 2.33 -0.14 -1.26 -4.67 119.74 114.60 3m81 s LYS 82 Ca -0.12 -0.82 0.10 0.00 -1.36 0.00 0.00 55.97 53.77 3m81 s LYS 82 Cb 0.09 -2.35 -0.04 0.00 -1.68 0.00 0.00 37.83 33.86 3m81 s LYS 82 CO 0.84 0.30 -0.22 -0.51 -0.76 0.00 0.00 175.35 175.00 3m81 s LEU 83 N 0.06 2.53 0.88 3.17 1.43 0.20 -4.80 118.68 122.13 3m81 s LEU 83 Ca -0.08 -0.65 -0.12 0.00 -1.03 0.00 0.00 54.13 52.25 3m81 s LEU 83 Cb -0.15 -1.39 0.12 0.00 0.03 0.00 0.00 46.19 44.79 3m81 s LEU 83 CO 0.05 0.18 1.10 -2.16 0.23 0.00 0.00 176.35 175.75 3m81 s PRO 84 N -2.12 1.43 -0.07 1.29 0.04 -1.26 0.09 135.00 134.40 3m81 s PRO 84 Ca 0.16 0.69 -0.03 0.00 0.04 0.00 0.00 61.00 61.86 3m81 s PRO 84 Cb -0.10 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.63 3m81 s PRO 84 CO 0.08 -2.09 0.15 0.00 0.04 0.00 0.00 177.00 175.19 3m81 s VAL 86 N 0.97 3.64 -0.37 0.00 1.01 0.99 -0.03 120.40 126.60 3m81 s VAL 86 Ca -0.07 -0.49 -0.23 0.00 0.00 0.00 0.00 61.98 61.19 3m81 s VAL 86 Cb -0.09 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.58 3m81 s VAL 86 CO -0.05 0.33 0.77 -0.69 0.00 0.00 0.00 175.10 175.46 3m81 s VAL 87 N 1.50 4.74 -0.23 2.92 1.01 0.10 -0.83 120.40 129.62 3m81 s VAL 87 Ca 0.05 0.82 -0.08 0.00 0.00 0.00 0.00 61.98 62.76 3m81 s VAL 87 Cb -0.15 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 3m81 s VAL 87 CO -0.01 -0.45 0.10 -1.58 0.00 0.00 0.00 175.10 173.17 3m81 s GLN 88 N 3.08 3.87 0.18 2.72 2.00 0.14 -1.06 119.66 130.59 3m81 s GLN 88 Ca 0.31 -0.38 0.04 0.00 -2.00 0.00 0.00 55.36 53.33 3m81 s GLN 88 Cb -0.13 -3.38 -0.04 0.00 0.80 0.00 0.00 33.01 30.26 3m81 s GLN 88 CO 0.17 -0.00 0.24 0.71 -0.50 0.00 0.00 175.29 175.91 3m81 s TYR 89 N 1.17 3.34 0.02 1.67 2.02 0.33 -2.09 117.35 123.80 3m81 s TYR 89 Ca 0.05 0.03 0.04 0.00 -0.37 0.00 0.00 57.07 56.83 3m81 s TYR 89 Cb -0.14 -1.58 -0.03 0.00 -0.40 0.00 0.00 41.96 39.81 3m81 s TYR 89 CO 0.04 0.51 -0.10 0.42 -1.57 0.00 0.00 175.55 174.85 3m81 s ILE 90 N -1.82 3.42 0.87 2.71 1.01 -1.26 -4.45 121.20 121.68 3m81 s ILE 90 Ca 0.33 -0.89 -0.11 0.00 0.00 0.00 0.00 60.65 59.98 3m81 s ILE 90 Cb -0.10 -2.48 0.11 0.00 0.01 0.00 0.00 42.46 40.00 3m81 s ILE 90 CO 0.27 0.37 1.09 -0.83 0.00 0.00 0.00 174.94 175.84 3m81 s GLY 91 N -1.44 1.63 0.27 6.18 0.00 -1.26 -3.35 107.32 109.35 3m81 s GLY 91 Ca 0.17 0.04 -0.30 0.00 0.00 0.00 0.00 44.72 44.62 3m81 s GLY 91 CO 0.07 0.49 1.27 2.98 0.00 0.00 0.00 173.10 177.91 3m81 n TYR 92 N -3.81 1.95 -1.21 1.90 9.36 -1.26 -1.59 117.16 122.51 3m81 n TYR 92 Ca 0.08 0.54 -0.07 0.00 3.32 0.00 0.00 57.90 61.77 3m81 n TYR 92 Cb 0.55 -2.39 -0.03 0.00 -0.63 0.00 0.00 39.34 36.83 3m81 n TYR 92 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3m81 n ASN 93 N 1.54 -4.83 -4.86 2.98 3.02 -1.26 -4.85 115.26 107.01 3m81 n ASN 93 Ca 0.09 0.18 -0.21 0.00 -0.03 0.00 0.00 54.58 54.61 3m81 n ASN 93 Cb 0.32 -2.96 -0.04 0.00 -0.61 0.00 0.00 39.78 36.49 3m81 n ASN 93 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3m81 s GLY 94 N -2.44 2.14 0.20 7.41 0.00 -0.62 -0.80 107.32 113.21 3m81 s GLY 94 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 42.82 3m81 s GLY 94 CO 0.00 -1.72 0.26 0.61 0.00 0.00 0.00 173.10 172.25 3m81 n GLY 95 N -1.49 2.71 0.22 0.20 0.00 -0.71 -1.67 105.19 104.44 3m81 n GLY 95 Ca 0.03 -1.58 0.15 0.00 0.00 0.00 0.00 46.02 44.62 3m81 n GLY 95 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3m81 h ARG 96 N 0.00 0.00 0.00 1.61 0.11 -1.81 -3.44 114.38 110.85 3m81 h ARG 96 Ca -0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.93 3m81 h ARG 96 Cb 0.70 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.78 3m81 h ARG 96 CO 0.21 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.69 3m81 n GLY 97 N -0.33 2.50 3.81 0.08 0.00 0.09 -4.63 105.19 106.71 3m81 n GLY 97 Ca 0.00 -0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.36 3m81 n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m81 s PHE 98 N 0.00 3.21 0.40 1.61 0.08 -1.26 -4.97 117.98 117.05 3m81 s PHE 98 Ca 0.00 0.03 0.14 0.00 0.12 0.00 0.00 56.93 57.22 3m81 s PHE 98 Cb 0.00 -1.57 0.98 0.00 -0.57 0.00 0.00 43.02 41.86 3m81 s PHE 98 CO 0.00 0.52 1.87 -1.35 -0.10 0.00 0.00 175.22 176.17 3m81 h PRO 99 N 2.63 0.50 0.00 0.24 0.11 -2.00 -0.86 132.00 132.62 3m81 h PRO 99 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3m81 h PRO 99 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3m81 h PRO 99 CO 0.65 0.33 0.00 -2.39 -0.21 0.00 0.00 178.00 176.38 3m81 n HIS 100 N -4.53 0.00 1.30 0.65 1.44 -1.26 -2.40 115.22 110.43 3m81 n HIS 100 Ca 0.17 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 56.02 3m81 n HIS 100 Cb 0.57 -0.02 0.69 0.00 0.12 0.00 0.00 29.99 31.35 3m81 n HIS 100 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3m81 n ASP 101 N -1.02 0.00 -2.49 4.39 8.00 -0.33 -4.16 116.55 120.95 3m81 n ASP 101 Ca 0.17 -0.17 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 3m81 n ASP 101 Cb 0.08 -0.26 0.03 0.00 -0.02 0.00 0.00 41.12 40.96 3m81 n ASP 101 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3m81 n TRP 102 N -1.26 1.98 0.79 1.24 7.02 -1.01 -4.88 117.44 121.32 3m81 n TRP 102 Ca 0.13 -2.34 0.13 0.00 -1.02 0.00 0.00 57.50 54.41 3m81 n TRP 102 Cb 0.20 -0.27 0.51 0.00 -2.42 0.00 0.00 31.31 29.33 3m81 n TRP 102 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3m81 n LEU 103 N -0.57 0.34 0.38 -0.99 4.77 -1.26 -4.23 117.00 115.45 3m81 n LEU 103 Ca 0.23 0.54 -0.16 0.00 -0.03 0.00 0.00 56.01 56.59 3m81 n LEU 103 Cb 0.85 -0.44 -0.08 0.00 -2.33 0.00 0.00 43.42 41.42 3m81 n LEU 103 CO 0.24 -0.12 0.53 0.15 -1.33 0.00 0.00 177.39 176.86 3m81 h PHE 104 N 0.00 -1.07 -0.49 -1.77 3.57 -1.94 -1.67 116.94 113.57 3m81 h PHE 104 Ca 0.00 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 3m81 h PHE 104 Cb 0.56 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 3m81 h PHE 104 CO 0.00 -0.62 0.13 -1.49 -2.23 0.00 0.00 178.31 174.11 3m81 h TRP 105 N -1.03 0.80 -0.96 0.41 4.06 -1.88 -1.99 115.95 115.36 3m81 h TRP 105 Ca -0.10 -0.09 0.07 0.00 2.06 0.00 0.00 58.89 60.83 3m81 h TRP 105 Cb 0.81 -0.23 -0.07 0.00 -1.00 0.00 0.00 29.16 28.68 3m81 h TRP 105 CO -0.03 0.71 0.61 -1.35 -3.56 0.00 0.00 178.44 174.82 3m81 h PRO 106 N 0.66 1.07 0.00 0.49 0.11 -1.49 0.28 132.00 133.12 3m81 h PRO 106 Ca 0.15 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 3m81 h PRO 106 Cb 0.30 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.17 3m81 h PRO 106 CO -0.00 0.71 -0.07 0.77 -0.21 0.00 0.00 178.00 179.20 3m81 h SER 107 N 1.10 0.00 -0.37 -2.05 0.02 -0.60 0.19 113.55 111.85 3m81 h SER 107 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 3m81 h SER 107 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3m81 h SER 107 CO -0.18 0.07 0.00 0.23 -1.14 0.00 0.00 176.83 175.81 3m81 n MET 108 N -4.17 1.87 -0.69 3.45 2.81 -0.11 -4.90 117.12 115.38 3m81 n MET 108 Ca -0.03 -1.35 0.00 0.00 -1.81 0.00 0.00 57.70 54.51 3m81 n MET 108 Cb 0.15 -1.30 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 3m81 n MET 108 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3m81 n GLY 109 N 1.11 0.58 3.56 3.03 0.00 0.67 -5.06 105.19 109.08 3m81 n GLY 109 Ca 0.13 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 3m81 n GLY 109 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m81 s TYR 110 N -2.00 2.94 0.33 1.61 1.51 -0.10 -4.46 117.35 117.18 3m81 s TYR 110 Ca 0.00 -0.04 -0.28 0.00 -1.01 0.00 0.00 57.07 55.73 3m81 s TYR 110 Cb 0.00 -1.74 -0.10 0.00 -0.11 0.00 0.00 41.96 40.01 3m81 s TYR 110 CO 0.00 0.27 1.28 0.42 -1.11 0.00 0.00 175.55 176.40 3m81 s ILE 111 N -0.62 2.81 -0.13 2.71 1.01 0.16 -2.41 121.20 124.72 3m81 s ILE 111 Ca 0.09 0.81 0.01 0.00 0.00 0.00 0.00 60.65 61.56 3m81 s ILE 111 Cb -0.12 -3.51 0.02 0.00 0.01 0.00 0.00 42.46 38.86 3m81 s ILE 111 CO 0.02 0.19 -0.16 0.00 0.00 0.00 0.00 174.94 174.98 3m81 s PHE 113 N 1.17 3.23 -0.30 0.00 2.19 -0.01 -0.71 117.98 123.55 3m81 s PHE 113 Ca -0.01 -1.01 -0.11 0.00 0.33 0.00 0.00 56.93 56.12 3m81 s PHE 113 Cb -0.14 -2.38 -0.03 0.00 -1.31 0.00 0.00 43.02 39.16 3m81 s PHE 113 CO -0.06 -0.64 0.19 0.08 1.83 0.00 0.00 175.22 176.62 3m81 s VAL 114 N 1.53 5.09 -0.25 3.12 1.01 0.36 0.24 120.40 131.50 3m81 s VAL 114 Ca 0.02 -0.09 -0.20 0.00 0.00 0.00 0.00 61.98 61.71 3m81 s VAL 114 Cb -0.19 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 3m81 s VAL 114 CO 0.06 0.14 0.60 -0.32 0.00 0.00 0.00 175.10 175.58 3m81 s MET 115 N 1.71 4.12 0.59 2.72 1.75 -0.89 -1.20 119.30 128.10 3m81 s MET 115 Ca 0.06 0.51 -0.19 0.00 -1.25 0.00 0.00 55.69 54.82 3m81 s MET 115 Cb -0.17 -3.64 -0.04 0.00 2.84 0.00 0.00 34.83 33.83 3m81 s MET 115 CO 0.09 -0.37 1.23 0.34 -0.65 0.00 0.00 175.02 175.66 3m81 s ASP 116 N 1.44 5.18 -0.29 1.11 2.15 -0.80 -4.45 116.67 121.01 3m81 s ASP 116 Ca 0.25 2.44 -0.09 0.00 0.43 0.00 0.00 52.55 55.59 3m81 s ASP 116 Cb -0.16 -2.60 -0.01 0.00 -0.30 0.00 0.00 42.92 39.85 3m81 s ASP 116 CO 0.09 -1.61 0.12 -0.89 -0.17 0.00 0.00 175.17 172.71 3m81 s THR 117 N -1.54 4.44 -0.25 1.71 2.01 -1.26 -4.81 115.64 115.95 3m81 s THR 117 Ca 0.77 -0.38 -0.39 0.00 0.31 0.00 0.00 61.69 62.00 3m81 s THR 117 Cb -0.32 -3.21 -0.15 0.00 0.01 0.00 0.00 72.50 68.83 3m81 s THR 117 CO 0.35 0.15 1.76 -2.11 -0.69 0.00 0.00 174.62 174.08 3m81 n ARG 118 N 4.95 1.31 -0.75 4.92 1.85 -1.26 -2.38 116.66 125.29 3m81 n ARG 118 Ca -0.15 0.48 0.00 0.00 -1.00 0.00 0.00 57.85 57.18 3m81 n ARG 118 Cb 0.50 -2.19 0.00 0.00 -1.05 0.00 0.00 32.46 29.72 3m81 n ARG 118 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3m81 n GLY 119 N 4.21 1.30 0.00 2.89 0.00 0.26 -4.51 105.19 109.33 3m81 n GLY 119 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3m81 n GLY 119 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3m81 n GLN 120 N -2.00 0.00 -4.05 1.61 6.02 -1.00 -4.87 117.38 113.08 3m81 n GLN 120 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.65 3m81 n GLN 120 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 3m81 n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3m81 n GLY 121 N 5.00 -0.45 0.00 1.08 0.00 -0.67 -4.73 105.19 105.42 3m81 n GLY 121 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3m81 n GLY 121 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3m81 n SER 122 N -2.54 0.25 -0.06 1.61 7.64 -1.18 -1.68 113.62 117.66 3m81 n SER 122 Ca 0.07 -1.07 -0.06 0.00 1.01 0.00 0.00 58.87 58.81 3m81 n SER 122 Cb 0.49 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.67 3m81 n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3m81 n GLY 123 N -0.04 -0.54 0.00 0.23 0.00 0.02 -4.89 105.19 99.97 3m81 n GLY 123 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3m81 n GLY 123 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3m81 n TRP 124 N -3.90 0.00 -3.67 1.61 4.27 -1.08 -5.04 117.44 109.63 3m81 n TRP 124 Ca -0.10 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.41 3m81 n TRP 124 Cb 0.36 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.23 3m81 n TRP 124 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 3m81 s LEU 125 N -1.15 -0.48 0.73 5.67 2.96 -1.26 -5.02 118.68 120.13 3m81 s LEU 125 Ca 0.00 1.22 -0.15 0.00 -0.22 0.00 0.00 54.13 54.99 3m81 s LEU 125 Cb 0.00 1.95 0.04 0.00 0.50 0.00 0.00 46.19 48.68 3m81 s LEU 125 CO 0.00 -0.21 1.19 -1.59 -1.32 0.00 0.00 176.35 174.42 3m81 s LYS 126 N 1.19 2.19 0.14 1.98 -2.85 -1.26 -1.74 119.74 119.39 3m81 s LYS 126 Ca -0.07 1.70 -0.02 0.00 -1.00 0.00 0.00 55.97 56.58 3m81 s LYS 126 Cb -0.06 -1.85 -0.04 0.00 -2.06 0.00 0.00 37.83 33.83 3m81 s LYS 126 CO -0.12 -1.78 0.09 0.20 0.10 0.00 0.00 175.35 173.84 3m81 s GLY 127 N -2.12 0.97 0.00 0.59 0.00 -0.67 -0.73 107.32 105.35 3m81 s GLY 127 Ca 0.73 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 44.03 3m81 s GLY 127 CO 0.45 -1.30 0.53 1.22 0.00 0.00 0.00 173.10 174.01 3m81 n ASP 128 N -0.13 0.73 -4.34 1.64 8.00 -1.26 -4.87 116.55 116.32 3m81 n ASP 128 Ca -0.05 -1.28 -0.35 0.00 0.71 0.00 0.00 54.79 53.83 3m81 n ASP 128 Cb 0.64 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.60 3m81 n ASP 128 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3m81 s THR 129 N -0.28 3.44 0.69 -3.53 2.01 -1.26 -4.91 115.64 111.79 3m81 s THR 129 Ca 0.00 -0.48 -0.11 0.00 0.31 0.00 0.00 61.69 61.41 3m81 s THR 129 Cb 0.00 -2.55 0.01 0.00 0.01 0.00 0.00 72.50 69.97 3m81 s THR 129 CO 0.00 0.44 1.07 -2.16 -0.69 0.00 0.00 174.62 173.28 3m81 s PRO 130 N 1.25 2.96 0.49 4.92 0.04 -1.26 0.89 135.00 144.29 3m81 s PRO 130 Ca 0.03 0.46 -0.06 0.00 0.04 0.00 0.00 61.00 61.48 3m81 s PRO 130 Cb -0.14 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 3m81 s PRO 130 CO -0.01 -0.95 0.81 0.34 0.04 0.00 0.00 177.00 177.23 3m81 s ASP 131 N -4.33 6.27 -0.34 6.66 2.15 -1.26 -3.92 116.67 121.90 3m81 s ASP 131 Ca 0.57 0.98 -0.01 0.00 0.43 0.00 0.00 52.55 54.53 3m81 s ASP 131 Cb -0.11 -2.27 0.13 0.00 -0.30 0.00 0.00 42.92 40.37 3m81 s ASP 131 CO 0.52 -0.59 0.19 -0.31 -0.17 0.00 0.00 175.17 174.80 3m81 s TYR 132 N -2.76 0.81 0.69 -5.34 1.51 -1.26 -4.94 117.35 106.06 3m81 s TYR 132 Ca 0.48 -1.52 -0.14 0.00 -1.01 0.00 0.00 57.07 54.88 3m81 s TYR 132 Cb -0.10 -1.07 0.01 0.00 -0.11 0.00 0.00 41.96 40.70 3m81 s TYR 132 CO 0.45 -0.83 1.11 -1.25 -1.11 0.00 0.00 175.55 173.93 3m81 s PRO 133 N 1.30 2.63 -1.05 -1.71 0.04 -1.26 -4.93 135.00 130.01 3m81 s PRO 133 Ca 0.15 1.38 -0.22 0.00 0.04 0.00 0.00 61.00 62.36 3m81 s PRO 133 Cb -0.21 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 3m81 s PRO 133 CO -0.10 -1.38 1.93 0.39 0.04 0.00 0.00 177.00 177.87 3m81 n GLU 134 N -2.66 1.78 0.00 4.56 -0.58 -1.26 -4.87 120.64 117.62 3m81 n GLU 134 Ca 0.10 -2.32 0.00 0.00 -0.42 0.00 0.00 57.16 54.53 3m81 n GLU 134 Cb 0.52 -3.37 0.00 0.00 -0.57 0.00 0.00 31.44 28.02 3m81 n GLU 134 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3m81 n GLY 135 N 5.18 0.93 3.73 0.62 0.00 -1.26 -4.82 105.19 109.57 3m81 n GLY 135 Ca 0.47 0.47 -0.41 0.00 0.00 0.00 0.00 46.02 46.56 3m81 n GLY 135 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3m81 s PRO 136 N 0.00 4.71 -0.67 1.61 0.04 -1.26 -5.00 135.00 134.43 3m81 s PRO 136 Ca 0.00 1.43 -0.16 0.00 0.04 0.00 0.00 61.00 62.30 3m81 s PRO 136 Cb 0.00 -3.36 0.15 0.00 0.04 0.00 0.00 34.50 31.33 3m81 s PRO 136 CO 0.00 0.27 0.68 0.08 0.04 0.00 0.00 177.00 178.07 3m81 s VAL 137 N -0.20 5.20 0.88 -0.36 1.01 -1.26 -5.02 120.40 120.65 3m81 s VAL 137 Ca 0.45 -1.68 -0.14 0.00 0.00 0.00 0.00 61.98 60.62 3m81 s VAL 137 Cb -0.24 -4.45 0.01 0.00 0.00 0.00 0.00 36.38 31.71 3m81 s VAL 137 CO 0.30 -1.03 0.46 0.47 0.00 0.00 0.00 175.10 175.30 3m81 n ASP 138 N 5.23 -1.74 -4.54 3.32 8.00 -1.26 -4.90 116.55 120.66 3m81 n ASP 138 Ca -0.02 0.42 -0.57 0.00 0.71 0.00 0.00 54.79 55.33 3m81 n ASP 138 Cb 0.43 -1.22 -0.07 0.00 -0.02 0.00 0.00 41.12 40.24 3m81 n ASP 138 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3m81 n PRO 139 N -1.41 0.43 -3.79 -0.24 -0.02 -1.26 -4.77 135.00 123.93 3m81 n PRO 139 Ca 0.08 0.16 -0.10 0.00 -2.02 0.00 0.00 63.50 61.61 3m81 n PRO 139 Cb 0.52 -1.71 -0.07 0.00 -0.02 0.00 0.00 33.50 32.22 3m81 n PRO 139 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3m81 s GLN 140 N 0.30 0.84 0.35 -0.52 -2.07 -1.26 -4.85 119.66 112.45 3m81 s GLN 140 Ca 0.89 -0.73 -0.25 0.00 -1.82 0.00 0.00 55.36 53.44 3m81 s GLN 140 Cb -1.16 0.35 -0.10 0.00 -1.09 0.00 0.00 33.01 31.02 3m81 s GLN 140 CO 0.54 -0.27 1.00 -0.47 -1.32 0.00 0.00 175.29 174.77 3m81 s TYR 141 N -3.25 3.50 -0.38 9.60 5.04 -1.26 -4.96 117.35 125.64 3m81 s TYR 141 Ca 0.00 1.71 -0.44 0.00 -2.44 0.00 0.00 57.07 55.90 3m81 s TYR 141 Cb 0.02 -3.03 -0.19 0.00 0.35 0.00 0.00 41.96 39.10 3m81 s TYR 141 CO -0.08 -0.21 1.44 -2.30 -1.34 0.00 0.00 175.55 173.07 3m81 n PRO 142 N 0.31 0.00 0.00 4.97 -0.02 -1.26 -4.68 135.00 134.32 3m81 n PRO 142 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3m81 n PRO 142 Cb 0.50 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 3m81 n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m81 n GLY 143 N 3.35 0.56 0.00 -1.23 0.00 -1.26 -4.87 105.19 101.74 3m81 n GLY 143 Ca 0.28 -2.20 0.05 0.00 0.00 0.00 0.00 46.02 44.15 3m81 n GLY 143 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3m81 n PHE 144 N 2.14 0.00 0.19 1.61 3.72 -1.26 -4.53 117.46 119.33 3m81 n PHE 144 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.44 3m81 n PHE 144 Cb 0.00 -0.17 0.38 0.00 -0.94 0.00 0.00 39.48 38.75 3m81 n PHE 144 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3m81 h MET 145 N 0.00 0.00 -0.26 -1.08 2.86 -1.89 -3.04 114.93 111.52 3m81 h MET 145 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3m81 h MET 145 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 3m81 h MET 145 CO 0.00 0.37 0.00 0.25 1.06 0.00 0.00 176.91 178.59 3m81 n THR 146 N -3.87 0.72 -2.13 2.22 -2.24 -1.26 -4.85 114.28 102.87 3m81 n THR 146 Ca -0.01 -0.86 -0.41 0.00 -2.27 0.00 0.00 64.05 60.50 3m81 n THR 146 Cb 0.43 0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 3m81 n THR 146 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3m81 s ARG 147 N -0.98 3.08 0.00 -0.78 3.52 -1.15 -2.37 118.95 120.26 3m81 s ARG 147 Ca 0.21 0.86 0.00 0.00 -0.13 0.00 0.00 55.73 56.66 3m81 s ARG 147 Cb 0.11 -4.24 0.00 0.00 -1.56 0.00 0.00 34.95 29.26 3m81 s ARG 147 CO 0.15 -2.19 0.00 0.41 -0.81 0.00 0.00 175.30 172.87 3m81 n GLY 148 N 5.46 0.50 0.17 8.12 0.00 -1.26 -1.60 105.19 116.58 3m81 n GLY 148 Ca 0.19 -0.44 0.13 0.00 0.00 0.00 0.00 46.02 45.90 3m81 n GLY 148 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3m81 h ILE 149 N 0.00 0.00 0.00 -0.61 2.10 -1.77 -2.74 117.51 114.49 3m81 h ILE 149 Ca 0.00 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.78 3m81 h ILE 149 Cb 0.00 0.84 0.00 0.00 -1.09 0.00 0.00 36.82 36.57 3m81 h ILE 149 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 3m81 n LEU 150 N -2.37 0.00 -3.66 2.19 4.77 -1.26 -4.63 117.00 112.04 3m81 n LEU 150 Ca 0.00 0.05 -0.08 0.00 -0.03 0.00 0.00 56.01 55.96 3m81 n LEU 150 Cb 0.16 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 3m81 n LEU 150 CO 0.17 -0.00 0.26 -0.62 -1.33 0.00 0.00 177.39 175.86 3m81 s ASP 151 N -2.10 -0.82 0.56 -1.43 -1.08 -1.04 -4.97 116.67 105.79 3m81 s ASP 151 Ca 0.42 1.34 0.24 0.00 -0.52 0.00 0.00 52.55 54.03 3m81 s ASP 151 Cb 0.20 1.24 1.60 0.00 -1.46 0.00 0.00 42.92 44.50 3m81 s ASP 151 CO 0.36 -0.23 2.21 1.55 0.52 0.00 0.00 175.17 179.58 3m81 h PRO 152 N 7.07 0.00 0.00 4.34 0.13 -1.83 -1.25 132.00 140.46 3m81 h PRO 152 Ca -0.31 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.76 3m81 h PRO 152 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3m81 h PRO 152 CO 0.20 0.00 -0.27 0.00 -0.23 0.00 0.00 178.00 177.70 3m81 h ARG 153 N 0.00 0.00 -0.01 0.86 3.08 -1.96 -2.99 114.38 113.37 3m81 h ARG 153 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3m81 h ARG 153 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3m81 h ARG 153 CO -0.00 0.27 -0.61 0.25 -1.07 0.00 0.00 179.97 178.81 3m81 n THR 154 N -4.03 0.00 -2.24 2.04 -2.24 -0.53 -4.99 114.28 102.28 3m81 n THR 154 Ca -0.02 -0.17 -0.41 0.00 -2.27 0.00 0.00 64.05 61.18 3m81 n THR 154 Cb 0.34 1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 69.64 3m81 n THR 154 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3m81 s TYR 155 N -2.64 3.28 0.25 4.78 5.04 -0.85 -4.36 117.35 122.84 3m81 s TYR 155 Ca 0.16 1.24 -0.05 0.00 -2.44 0.00 0.00 57.07 55.97 3m81 s TYR 155 Cb 0.18 -3.58 0.47 0.00 0.35 0.00 0.00 41.96 39.38 3m81 s TYR 155 CO 0.66 -1.80 1.65 -0.92 -1.34 0.00 0.00 175.55 173.80 3m81 h TYR 156 N 5.40 0.11 0.00 4.97 3.20 -1.59 -0.77 116.97 128.28 3m81 h TYR 156 Ca -0.45 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.47 3m81 h TYR 156 Cb 1.21 0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.56 3m81 h TYR 156 CO 0.62 -0.18 0.00 1.88 -1.64 0.00 0.00 178.16 178.84 3m81 h TYR 157 N 0.17 0.00 -0.78 -3.82 0.05 -1.89 -1.55 116.97 109.16 3m81 h TYR 157 Ca 0.43 0.00 0.05 0.00 0.05 0.00 0.00 58.73 59.25 3m81 h TYR 157 Cb 0.76 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.45 3m81 h TYR 157 CO -0.35 0.00 0.48 -0.09 -1.05 0.00 0.00 178.16 177.15 3m81 h ARG 158 N 0.00 0.88 -0.01 4.88 2.43 -1.44 0.31 114.38 121.44 3m81 h ARG 158 Ca 0.00 -0.05 -0.25 0.00 -0.81 0.00 0.00 59.98 58.87 3m81 h ARG 158 Cb 0.48 -0.20 0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3m81 h ARG 158 CO 0.00 0.58 -0.96 0.00 -1.51 0.00 0.00 179.97 178.08 3m81 h ARG 159 N 0.91 0.67 -0.53 0.20 3.08 -1.38 -2.17 114.38 115.15 3m81 h ARG 159 Ca 0.33 -0.71 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 3m81 h ARG 159 Cb 0.09 0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3m81 h ARG 159 CO -0.14 1.29 0.25 0.28 -1.07 0.00 0.00 179.97 180.58 3m81 h VAL 160 N 0.34 1.20 -0.63 2.04 2.07 -1.28 -0.97 116.25 119.03 3m81 h VAL 160 Ca -0.12 -0.57 -0.09 0.00 0.82 0.00 0.00 66.70 66.74 3m81 h VAL 160 Cb 1.62 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 3m81 h VAL 160 CO 0.19 0.23 0.03 -0.26 0.02 0.00 0.00 177.57 177.77 3m81 h PHE 161 N 0.71 1.18 -0.16 1.57 -1.00 -0.95 -0.87 116.94 117.43 3m81 h PHE 161 Ca 0.18 -0.19 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 3m81 h PHE 161 Cb 0.13 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.37 3m81 h PHE 161 CO -0.00 1.02 0.03 1.15 -1.61 0.00 0.00 178.31 178.90 3m81 h THR 162 N 1.00 1.22 -0.75 -1.55 2.02 -1.20 -0.87 112.91 112.78 3m81 h THR 162 Ca 0.18 -0.69 0.17 0.00 0.77 0.00 0.00 66.41 66.84 3m81 h THR 162 Cb 0.53 1.38 -0.12 0.00 -1.74 0.00 0.00 68.15 68.20 3m81 h THR 162 CO 0.03 0.21 0.10 0.44 0.37 0.00 0.00 175.52 176.67 3m81 h ASP 163 N 0.05 -0.15 -0.10 4.18 3.32 -0.94 -2.23 116.42 120.54 3m81 h ASP 163 Ca 0.05 0.17 -0.12 0.00 0.02 0.00 0.00 57.03 57.15 3m81 h ASP 163 Cb 0.29 0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3m81 h ASP 163 CO 0.00 -0.11 -0.31 0.00 -1.72 0.00 0.00 179.24 177.10 3m81 h ALA 164 N 1.66 0.94 -0.61 3.45 0.00 -0.26 0.59 119.26 125.04 3m81 h ALA 164 Ca 0.42 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3m81 h ALA 164 Cb 0.75 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3m81 h ALA 164 CO -0.59 0.61 0.05 0.28 0.00 0.00 0.00 179.25 179.61 3m81 h VAL 165 N 0.50 1.26 0.00 0.00 2.07 -0.68 -2.87 116.25 116.52 3m81 h VAL 165 Ca 0.06 -1.06 -0.09 0.00 0.82 0.00 0.00 66.70 66.43 3m81 h VAL 165 Cb 0.79 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3m81 h VAL 165 CO 0.06 0.39 -0.41 0.03 0.02 0.00 0.00 177.57 177.67 3m81 h ARG 166 N 0.95 0.00 -0.90 1.57 2.47 -0.86 -2.83 114.38 114.78 3m81 h ARG 166 Ca 0.18 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.90 3m81 h ARG 166 Cb 0.48 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.75 3m81 h ARG 166 CO 0.02 0.41 0.58 0.00 0.56 0.00 0.00 179.97 181.53 3m81 h ALA 167 N 1.59 1.15 -0.75 0.04 0.00 -0.67 0.06 119.26 120.68 3m81 h ALA 167 Ca -0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3m81 h ALA 167 Cb 0.91 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3m81 h ALA 167 CO 0.05 0.57 0.23 0.28 0.00 0.00 0.00 179.25 180.39 3m81 h VAL 168 N 1.23 1.26 -0.66 0.00 2.07 -1.45 0.71 116.25 119.42 3m81 h VAL 168 Ca 0.33 -0.91 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 3m81 h VAL 168 Cb -0.11 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 3m81 h VAL 168 CO -0.07 0.36 0.12 -0.33 0.02 0.00 0.00 177.57 177.68 3m81 h GLU 169 N 1.12 1.07 -0.46 1.57 4.39 -1.41 -1.02 114.58 119.84 3m81 h GLU 169 Ca 0.24 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 3m81 h GLU 169 Cb 0.31 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 3m81 h GLU 169 CO -0.01 0.98 0.19 0.00 -1.16 0.00 0.00 179.01 179.01 3m81 h ALA 170 N 1.05 0.60 -0.36 3.43 0.00 -0.53 -1.53 119.26 121.93 3m81 h ALA 170 Ca 0.20 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3m81 h ALA 170 Cb 0.41 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3m81 h ALA 170 CO 0.01 0.20 0.11 0.00 0.00 0.00 0.00 179.25 179.57 3m81 h ALA 171 N 1.03 0.40 -0.04 0.00 0.00 -0.70 -2.39 119.26 117.57 3m81 h ALA 171 Ca 0.15 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3m81 h ALA 171 Cb 0.18 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3m81 h ALA 171 CO -0.01 -0.29 0.03 0.00 0.00 0.00 0.00 179.25 178.98 3m81 h ALA 172 N 1.24 1.95 0.00 0.00 0.00 -0.79 -1.84 119.26 119.82 3m81 h ALA 172 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3m81 h ALA 172 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3m81 h ALA 172 CO -0.18 -0.05 0.00 0.66 0.00 0.00 0.00 179.25 179.68 3m81 h SER 173 N 0.00 0.00 -3.12 0.00 4.64 -0.74 -3.45 113.55 110.88 3m81 h SER 173 Ca 0.02 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.80 3m81 h SER 173 Cb 0.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3m81 h SER 173 CO -0.00 0.00 0.64 0.12 -0.87 0.00 0.00 176.83 176.71 3m81 s PHE 174 N -3.29 3.30 0.48 4.77 5.36 -0.69 -4.90 117.98 123.01 3m81 s PHE 174 Ca 0.06 1.20 0.13 0.00 -0.96 0.00 0.00 56.93 57.36 3m81 s PHE 174 Cb 0.10 -3.47 1.12 0.00 -0.34 0.00 0.00 43.02 40.44 3m81 s PHE 174 CO 0.49 -1.49 2.11 -1.00 -1.46 0.00 0.00 175.22 173.86 3m81 h PRO 175 N 7.08 0.18 -0.15 10.12 0.13 -1.88 -2.22 132.00 145.25 3m81 h PRO 175 Ca -0.39 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3m81 h PRO 175 Cb 1.20 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3m81 h PRO 175 CO 0.84 0.13 0.00 1.04 -0.23 0.00 0.00 178.00 179.78 3m81 n GLN 176 N -4.51 1.50 -3.26 0.86 6.02 -1.26 -4.86 117.38 111.87 3m81 n GLN 176 Ca -0.01 -0.76 -0.39 0.00 -0.01 0.00 0.00 57.00 55.83 3m81 n GLN 176 Cb 0.09 -1.30 -0.06 0.00 1.02 0.00 0.00 30.24 29.98 3m81 n GLN 176 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3m81 s VAL 177 N -1.81 5.13 -0.46 5.09 1.01 -0.84 -0.63 120.40 127.89 3m81 s VAL 177 Ca 0.26 0.98 -0.28 0.00 0.00 0.00 0.00 61.98 62.94 3m81 s VAL 177 Cb 0.13 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.70 3m81 s VAL 177 CO 0.20 0.24 1.08 -0.62 0.00 0.00 0.00 175.10 176.00 3m81 s ASP 178 N 0.93 6.62 0.18 3.32 -1.08 0.11 -4.80 116.67 121.95 3m81 s ASP 178 Ca 0.25 0.41 0.19 0.00 -0.52 0.00 0.00 52.55 52.89 3m81 s ASP 178 Cb -0.15 -2.52 0.84 0.00 -1.46 0.00 0.00 42.92 39.63 3m81 s ASP 178 CO 0.10 -1.17 1.59 0.00 0.52 0.00 0.00 175.17 176.21 3m81 n GLN 179 N 7.60 0.12 0.02 4.34 6.02 -1.26 -1.69 117.38 132.52 3m81 n GLN 179 Ca 0.10 0.41 0.13 0.00 -0.01 0.00 0.00 57.00 57.63 3m81 n GLN 179 Cb 0.49 -1.76 0.44 0.00 1.02 0.00 0.00 30.24 30.43 3m81 n GLN 179 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3m81 n GLU 180 N -1.99 0.06 -2.66 -1.09 -0.58 -1.26 -4.29 120.64 108.83 3m81 n GLU 180 Ca 0.02 0.03 -0.18 0.00 -0.42 0.00 0.00 57.16 56.61 3m81 n GLU 180 Cb 0.17 -1.55 0.01 0.00 -0.57 0.00 0.00 31.44 29.50 3m81 n GLU 180 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3m81 n ARG 181 N -1.64 2.19 -3.47 3.49 1.74 -0.68 -4.90 116.66 113.38 3m81 n ARG 181 Ca 0.06 -3.89 -0.39 0.00 -0.77 0.00 0.00 57.85 52.87 3m81 n ARG 181 Cb 0.36 -1.76 -0.10 0.00 -1.02 0.00 0.00 32.46 29.94 3m81 n ARG 181 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3m81 s ILE 182 N -4.12 5.23 -0.10 0.55 1.01 -1.25 -1.05 121.20 121.47 3m81 s ILE 182 Ca 0.38 0.34 -0.02 0.00 0.00 0.00 0.00 60.65 61.36 3m81 s ILE 182 Cb 0.41 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 3m81 s ILE 182 CO -0.08 0.17 -0.02 -0.69 0.00 0.00 0.00 174.94 174.32 3m81 s VAL 183 N 1.93 4.13 -0.14 2.92 1.01 0.95 -0.62 120.40 130.58 3m81 s VAL 183 Ca 0.11 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 3m81 s VAL 183 Cb -0.16 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 3m81 s VAL 183 CO 0.11 0.58 -0.00 0.27 0.00 0.00 0.00 175.10 176.06 3m81 s ILE 184 N -0.63 4.25 -0.01 2.22 -4.36 -0.33 0.01 121.20 122.35 3m81 s ILE 184 Ca 0.10 -0.24 -0.01 0.00 -0.26 0.00 0.00 60.65 60.24 3m81 s ILE 184 Cb -0.12 -2.86 0.00 0.00 1.25 0.00 0.00 42.46 40.74 3m81 s ILE 184 CO 0.02 0.51 0.03 0.00 0.24 0.00 0.00 174.94 175.74 3m81 s ALA 185 N 0.03 -0.07 -0.22 2.27 0.00 -0.22 -0.57 121.76 122.99 3m81 s ALA 185 Ca 0.02 0.06 -0.32 0.00 0.00 0.00 0.00 51.96 51.73 3m81 s ALA 185 Cb -0.13 -0.04 0.16 0.00 0.00 0.00 0.00 23.12 23.11 3m81 s ALA 185 CO 0.02 -0.02 1.21 0.20 0.00 0.00 0.00 175.76 177.17 3m81 s GLY 186 N -0.02 -0.14 0.04 0.00 0.00 -0.74 -0.51 107.32 105.95 3m81 s GLY 186 Ca -0.00 2.17 0.08 0.00 0.00 0.00 0.00 44.72 46.96 3m81 s GLY 186 CO 0.00 0.87 -0.20 -0.32 0.00 0.00 0.00 173.10 173.46 3m81 s GLY 187 N -1.47 1.54 0.00 0.20 0.00 -1.26 -1.27 107.32 105.06 3m81 s GLY 187 Ca 0.06 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.57 3m81 s GLY 187 CO -0.04 -1.11 0.00 1.44 0.00 0.00 0.00 173.10 173.39 3m81 n SER 188 N 1.57 0.00 -0.24 1.64 7.64 0.00 -1.37 113.62 122.86 3m81 n SER 188 Ca -0.16 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.76 3m81 n SER 188 Cb 0.52 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.88 3m81 n SER 188 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 3m81 h GLN 189 N 0.00 0.16 -0.90 1.43 4.15 -1.85 0.11 115.11 118.20 3m81 h GLN 189 Ca 0.00 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.49 3m81 h GLN 189 Cb 0.00 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.59 3m81 h GLN 189 CO 0.00 0.11 0.59 0.78 -1.93 0.00 0.00 178.83 178.37 3m81 h GLY 190 N 0.16 1.32 1.03 2.39 0.00 -1.22 0.55 103.07 107.30 3m81 h GLY 190 Ca 0.40 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 3m81 h GLY 190 CO -0.58 0.27 0.35 -1.33 0.00 0.00 0.00 176.54 175.25 3m81 h GLY 191 N 0.99 1.21 1.04 4.60 0.00 -0.70 0.10 103.07 110.30 3m81 h GLY 191 Ca 0.40 -0.62 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 3m81 h GLY 191 CO -0.16 0.59 -0.13 -1.33 0.00 0.00 0.00 176.54 175.51 3m81 h GLY 192 N 1.10 0.97 0.97 4.60 0.00 -0.08 -1.15 103.07 109.47 3m81 h GLY 192 Ca 0.26 -0.82 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 3m81 h GLY 192 CO -0.03 0.74 0.14 -2.22 0.00 0.00 0.00 176.54 175.18 3m81 h ILE 193 N 0.73 1.09 -0.99 2.60 2.04 -0.82 -2.16 117.51 120.00 3m81 h ILE 193 Ca 0.11 -0.22 0.04 0.00 1.00 0.00 0.00 64.86 65.80 3m81 h ILE 193 Cb 0.68 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.51 3m81 h ILE 193 CO 0.05 0.09 0.65 0.00 0.00 0.00 0.00 178.15 178.93 3m81 h ALA 194 N 1.05 1.37 -0.39 1.87 0.00 -0.78 -0.95 119.26 121.42 3m81 h ALA 194 Ca 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3m81 h ALA 194 Cb 0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3m81 h ALA 194 CO -0.02 0.52 0.16 1.25 0.00 0.00 0.00 179.25 181.16 3m81 h LEU 195 N 1.23 0.53 -0.32 0.00 5.85 -1.05 0.11 115.31 121.67 3m81 h LEU 195 Ca 0.40 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.99 3m81 h LEU 195 Cb 0.05 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3m81 h LEU 195 CO -0.13 0.55 0.15 0.00 -0.34 0.00 0.00 178.44 178.66 3m81 h ALA 196 N 1.01 0.38 -0.37 1.25 0.00 -0.68 -2.33 119.26 118.52 3m81 h ALA 196 Ca 0.13 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3m81 h ALA 196 Cb 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3m81 h ALA 196 CO -0.01 -0.23 0.03 0.28 0.00 0.00 0.00 179.25 179.32 3m81 h VAL 197 N 0.31 1.20 0.00 0.00 2.07 -0.80 -1.46 116.25 117.57 3m81 h VAL 197 Ca 0.13 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3m81 h VAL 197 Cb 0.06 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3m81 h VAL 197 CO -0.10 0.26 0.00 0.77 0.02 0.00 0.00 177.57 178.52 3m81 h SER 198 N 0.55 0.00 0.08 0.57 4.64 -0.21 0.13 113.55 119.31 3m81 h SER 198 Ca 0.12 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.08 3m81 h SER 198 Cb 0.30 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.33 3m81 h SER 198 CO 0.01 0.00 -2.29 0.00 -0.87 0.00 0.00 176.83 173.68 3m81 n ALA 199 N -1.99 1.46 -0.02 5.18 0.00 -0.63 -4.34 120.51 120.18 3m81 n ALA 199 Ca -0.02 -1.18 0.01 0.00 0.00 0.00 0.00 53.44 52.25 3m81 n ALA 199 Cb 0.12 -0.28 -0.13 0.00 0.00 0.00 0.00 19.45 19.16 3m81 n ALA 199 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3m81 n LEU 200 N -2.91 0.33 -4.84 0.00 4.77 -0.71 -4.90 117.00 108.73 3m81 n LEU 200 Ca -0.33 0.14 -0.34 0.00 -0.03 0.00 0.00 56.01 55.45 3m81 n LEU 200 Cb 1.11 0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 42.32 3m81 n LEU 200 CO 0.40 0.19 0.32 -0.55 -1.33 0.00 0.00 177.39 176.43 3m81 s SER 201 N -5.28 6.85 -0.01 -1.43 0.15 0.40 -4.97 113.70 109.40 3m81 s SER 201 Ca -0.07 1.19 0.20 0.00 0.70 0.00 0.00 55.95 57.98 3m81 s SER 201 Cb 0.10 -2.33 -0.26 0.00 -1.71 0.00 0.00 66.02 61.81 3m81 s SER 201 CO 0.85 -0.01 0.71 0.29 1.20 0.00 0.00 173.24 176.27 3m81 n LYS 202 N 0.38 0.42 0.03 5.44 4.76 -1.26 -4.48 118.16 123.45 3m81 n LYS 202 Ca -0.02 -0.07 0.11 0.00 -2.87 0.00 0.00 58.31 55.46 3m81 n LYS 202 Cb 0.52 -1.47 -0.11 0.00 -1.84 0.00 0.00 35.03 32.13 3m81 n LYS 202 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3m81 n LYS 203 N -1.77 0.64 -2.23 1.97 4.76 -1.26 -4.95 118.16 115.33 3m81 n LYS 203 Ca 0.01 -0.08 -0.41 0.00 -2.87 0.00 0.00 58.31 54.96 3m81 n LYS 203 Cb 0.40 -1.64 -0.03 0.00 -1.84 0.00 0.00 35.03 31.93 3m81 n LYS 203 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3m81 s ALA 204 N -3.45 3.50 -0.04 7.82 0.00 -1.26 -4.77 121.76 123.55 3m81 s ALA 204 Ca -0.05 1.13 0.14 0.00 0.00 0.00 0.00 51.96 53.17 3m81 s ALA 204 Cb 0.12 -3.45 -0.21 0.00 0.00 0.00 0.00 23.12 19.58 3m81 s ALA 204 CO 0.86 -0.51 0.25 1.63 0.00 0.00 0.00 175.76 178.00 3m81 n LYS 205 N 1.76 0.75 -3.63 0.00 4.76 0.21 -4.95 118.16 117.07 3m81 n LYS 205 Ca 0.03 -0.10 -0.12 0.00 -2.87 0.00 0.00 58.31 55.25 3m81 n LYS 205 Cb 0.43 -1.34 -0.05 0.00 -1.84 0.00 0.00 35.03 32.23 3m81 n LYS 205 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3m81 s ALA 206 N -2.83 -1.05 -0.09 7.82 0.00 -1.18 -4.23 121.76 120.20 3m81 s ALA 206 Ca -0.05 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.14 3m81 s ALA 206 Cb 0.08 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.73 3m81 s ALA 206 CO 0.58 -0.56 -0.19 -1.17 0.00 0.00 0.00 175.76 174.41 3m81 s LEU 207 N -2.38 1.92 -0.24 0.00 2.96 -0.09 -1.19 118.68 119.66 3m81 s LEU 207 Ca -0.01 -0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 53.38 3m81 s LEU 207 Cb 0.00 -1.21 -0.00 0.00 0.50 0.00 0.00 46.19 45.49 3m81 s LEU 207 CO -0.07 0.10 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.28 3m81 s LEU 208 N 0.53 3.08 -0.31 -0.68 1.43 0.27 -1.09 118.68 121.92 3m81 s LEU 208 Ca -0.16 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.43 3m81 s LEU 208 Cb -0.17 -1.75 0.10 0.00 0.03 0.00 0.00 46.19 44.40 3m81 s LEU 208 CO 0.06 -0.06 0.11 0.00 0.23 0.00 0.00 176.35 176.69 3m81 s ASP 210 N 1.75 5.67 -1.01 0.00 1.01 -0.39 -2.01 116.67 121.69 3m81 s ASP 210 Ca 0.10 0.19 -0.17 0.00 0.71 0.00 0.00 52.55 53.38 3m81 s ASP 210 Cb -0.17 -1.84 0.02 0.00 1.01 0.00 0.00 42.92 41.95 3m81 s ASP 210 CO -0.28 0.29 0.31 1.33 0.21 0.00 0.00 175.17 177.03 3m81 n VAL 211 N 2.75 -1.49 -1.97 -1.27 0.24 -0.54 -0.82 118.33 115.22 3m81 n VAL 211 Ca -0.18 -0.42 -0.39 0.00 -2.04 0.00 0.00 64.34 61.31 3m81 n VAL 211 Cb 0.53 -1.31 0.00 0.00 -1.47 0.00 0.00 33.84 31.59 3m81 n VAL 211 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3m81 s PRO 212 N -6.67 3.86 0.41 7.34 0.04 -1.26 -2.36 135.00 136.35 3m81 s PRO 212 Ca 0.23 2.23 0.08 0.00 0.04 0.00 0.00 61.00 63.58 3m81 s PRO 212 Cb -0.13 -2.71 -0.03 0.00 0.04 0.00 0.00 34.50 31.68 3m81 s PRO 212 CO 0.74 -0.61 0.33 0.12 0.04 0.00 0.00 177.00 177.62 3m81 s PHE 213 N -1.25 2.71 -0.62 0.56 5.36 -0.77 -4.69 117.98 119.28 3m81 s PHE 213 Ca 0.59 -0.49 -0.01 0.00 -0.96 0.00 0.00 56.93 56.06 3m81 s PHE 213 Cb -0.40 -2.08 0.00 0.00 -0.34 0.00 0.00 43.02 40.20 3m81 s PHE 213 CO 0.51 -0.03 0.08 1.28 -1.46 0.00 0.00 175.22 175.60 3m81 n LEU 214 N -1.47 -1.56 -4.10 6.12 4.77 -1.26 -3.51 117.00 116.00 3m81 n LEU 214 Ca 0.02 -0.04 -0.26 0.00 -0.03 0.00 0.00 56.01 55.70 3m81 n LEU 214 Cb 0.62 -1.39 -0.16 0.00 -2.33 0.00 0.00 43.42 40.16 3m81 n LEU 214 CO 0.43 -0.02 -0.49 0.00 -1.33 0.00 0.00 177.39 175.97 3m81 n HIS 216 N 3.47 -2.01 -0.24 0.00 -0.00 -1.26 -4.65 115.22 110.53 3m81 n HIS 216 Ca -0.20 0.66 0.04 0.00 0.46 0.00 0.00 57.72 58.68 3m81 n HIS 216 Cb 0.52 -3.88 0.14 0.00 -0.12 0.00 0.00 29.99 26.65 3m81 n HIS 216 CO 0.00 0.00 0.00 0.74 0.46 0.00 0.00 176.34 177.54 3m81 h PHE 217 N -1.72 -0.04 -0.62 1.57 0.04 -1.95 -0.47 116.94 113.75 3m81 h PHE 217 Ca -0.64 0.05 0.06 0.00 2.80 0.00 0.00 57.97 60.25 3m81 h PHE 217 Cb 1.35 0.13 -0.05 0.00 2.20 0.00 0.00 35.95 39.57 3m81 h PHE 217 CO 0.37 -0.21 0.33 -0.09 -0.60 0.00 0.00 178.31 178.11 3m81 h ARG 218 N 0.11 0.59 -0.11 1.51 9.65 -1.99 -1.52 114.38 122.62 3m81 h ARG 218 Ca 0.38 -0.04 -0.15 0.00 -1.10 0.00 0.00 59.98 59.07 3m81 h ARG 218 Cb 0.65 -0.13 0.01 0.00 -1.39 0.00 0.00 29.97 29.10 3m81 h ARG 218 CO -0.61 0.39 -0.51 -0.09 2.80 0.00 0.00 179.97 181.95 3m81 h ARG 219 N 0.61 0.54 -0.41 0.20 9.65 -1.72 -3.08 114.38 120.16 3m81 h ARG 219 Ca 0.28 -0.44 0.09 0.00 -1.10 0.00 0.00 59.98 58.81 3m81 h ARG 219 Cb 0.20 0.09 -0.09 0.00 -1.39 0.00 0.00 29.97 28.78 3m81 h ARG 219 CO -0.19 1.06 -0.23 0.00 2.80 0.00 0.00 179.97 183.41 3m81 h ALA 220 N 0.49 0.05 0.00 2.80 0.00 -0.66 -1.41 119.26 120.53 3m81 h ALA 220 Ca -0.03 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3m81 h ALA 220 Cb 1.15 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 3m81 h ALA 220 CO 0.11 -0.59 -0.22 0.28 0.00 0.00 0.00 179.25 178.82 3m81 h VAL 221 N -0.15 0.82 0.00 0.00 2.07 -1.37 -2.04 116.25 115.57 3m81 h VAL 221 Ca 0.20 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 3m81 h VAL 221 Cb 0.46 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 3m81 h VAL 221 CO -0.50 0.21 -0.76 1.56 0.02 0.00 0.00 177.57 178.11 3m81 h GLN 222 N 0.00 0.00 0.05 1.57 4.20 -1.29 -3.40 115.11 116.24 3m81 h GLN 222 Ca -0.00 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.33 3m81 h GLN 222 Cb 0.50 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.23 3m81 h GLN 222 CO 0.03 0.19 -2.22 -0.11 -0.67 0.00 0.00 178.83 176.05 3m81 n LEU 223 N -2.96 2.70 -4.28 1.46 0.00 -0.60 -4.98 117.00 108.34 3m81 n LEU 223 Ca -0.01 0.07 -0.22 0.00 0.00 0.00 0.00 56.01 55.85 3m81 n LEU 223 Cb 0.66 -0.99 -0.12 0.00 0.00 0.00 0.00 43.42 42.97 3m81 n LEU 223 CO 0.40 0.84 -0.49 0.68 0.00 0.00 0.00 177.39 178.81 3m81 s VAL 224 N -2.53 1.62 -0.20 1.96 -7.23 -0.82 -5.03 120.40 108.18 3m81 s VAL 224 Ca -0.30 -1.64 0.17 0.00 -1.81 0.00 0.00 61.98 58.40 3m81 s VAL 224 Cb 0.08 -1.57 0.43 0.00 0.56 0.00 0.00 36.38 35.88 3m81 s VAL 224 CO 0.66 -0.19 1.32 -0.90 -0.31 0.00 0.00 175.10 175.67 3m81 n ASP 225 N 0.82 3.32 -4.84 4.85 5.75 -1.26 -4.68 116.55 120.51 3m81 n ASP 225 Ca -0.17 -2.96 -0.32 0.00 -0.01 0.00 0.00 54.79 51.32 3m81 n ASP 225 Cb 0.55 -0.48 -0.02 0.00 -1.03 0.00 0.00 41.12 40.14 3m81 n ASP 225 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3m81 s THR 226 N -2.70 4.43 0.41 2.12 -4.23 -1.26 -4.73 115.64 109.68 3m81 s THR 226 Ca 0.37 1.14 -0.22 0.00 -1.18 0.00 0.00 61.69 61.80 3m81 s THR 226 Cb 0.30 -3.67 -0.10 0.00 1.34 0.00 0.00 72.50 70.36 3m81 s THR 226 CO 0.07 -0.69 0.97 -1.00 -0.54 0.00 0.00 174.62 173.43 3m81 s HIS 227 N -2.63 3.35 -1.32 3.99 3.76 -1.26 -1.15 115.29 120.03 3m81 s HIS 227 Ca 0.59 1.64 0.27 0.00 -0.15 0.00 0.00 55.06 57.42 3m81 s HIS 227 Cb -0.11 -2.91 0.89 0.00 1.11 0.00 0.00 32.58 31.56 3m81 s HIS 227 CO 0.33 -0.16 1.66 -2.30 -0.85 0.00 0.00 174.74 173.42 3m81 n PRO 228 N -0.39 0.34 0.24 8.40 -0.02 -1.26 -4.88 135.00 137.44 3m81 n PRO 228 Ca 0.06 -0.15 0.07 0.00 -2.02 0.00 0.00 63.50 61.46 3m81 n PRO 228 Cb 0.53 -1.50 0.61 0.00 -0.02 0.00 0.00 33.50 33.12 3m81 n PRO 228 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 3m81 h TYR 229 N 0.37 0.02 0.00 6.00 0.05 -1.84 -1.93 116.97 119.65 3m81 h TYR 229 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3m81 h TYR 229 Cb 0.46 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.19 3m81 h TYR 229 CO 0.00 0.04 0.00 0.00 -1.05 0.00 0.00 178.16 177.15 3m81 h ALA 230 N 1.96 1.00 -0.92 3.88 0.00 -1.42 -1.83 119.26 121.93 3m81 h ALA 230 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3m81 h ALA 230 Cb 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3m81 h ALA 230 CO 0.00 0.00 0.55 0.93 0.00 0.00 0.00 179.25 180.73 3m81 h GLU 231 N 0.00 1.26 -0.15 0.00 5.08 -1.63 0.25 114.58 119.39 3m81 h GLU 231 Ca 0.00 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 3m81 h GLU 231 Cb 0.10 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3m81 h GLU 231 CO 0.00 0.89 -0.01 0.82 -1.00 0.00 0.00 179.01 179.71 3m81 h ILE 232 N 1.27 1.27 -0.55 3.13 2.04 -1.51 -1.80 117.51 121.36 3m81 h ILE 232 Ca 0.33 -0.89 0.06 0.00 1.00 0.00 0.00 64.86 65.37 3m81 h ILE 232 Cb -0.04 1.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 3m81 h ILE 232 CO -0.06 0.26 0.25 0.74 0.00 0.00 0.00 178.15 179.34 3m81 h THR 233 N -0.00 0.89 -0.63 -0.27 2.02 -1.39 -0.79 112.91 112.74 3m81 h THR 233 Ca 0.04 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 3m81 h THR 233 Cb 0.40 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3m81 h THR 233 CO 0.01 0.09 0.03 0.78 0.37 0.00 0.00 175.52 176.80 3m81 h ASN 234 N 0.47 1.07 -0.40 4.18 2.35 -0.41 0.29 115.58 123.14 3m81 h ASN 234 Ca 0.26 -0.29 0.06 0.00 -0.55 0.00 0.00 56.30 55.77 3m81 h ASN 234 Cb 0.22 -0.29 -0.05 0.00 0.05 0.00 0.00 38.32 38.25 3m81 h ASN 234 CO -0.21 1.10 0.08 0.15 -1.65 0.00 0.00 177.43 176.89 3m81 h PHE 235 N 1.00 0.12 -0.51 1.19 3.04 -0.92 -2.61 116.94 118.25 3m81 h PHE 235 Ca 0.18 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.12 3m81 h PHE 235 Cb 0.53 0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.02 3m81 h PHE 235 CO 0.04 0.01 0.16 -0.07 -2.02 0.00 0.00 178.31 176.42 3m81 h LEU 236 N 0.20 0.70 -1.50 0.59 3.38 -0.05 -0.14 115.31 118.50 3m81 h LEU 236 Ca 0.19 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.09 3m81 h LEU 236 Cb 0.23 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3m81 h LEU 236 CO -0.26 0.67 0.38 0.11 0.09 0.00 0.00 178.44 179.43 3m81 h LYS 237 N 0.75 0.63 0.00 1.13 1.57 -0.60 -3.23 116.57 116.81 3m81 h LYS 237 Ca 0.17 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 3m81 h LYS 237 Cb 0.23 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3m81 h LYS 237 CO -0.01 0.42 -0.68 1.15 -0.57 0.00 0.00 179.45 179.76 3m81 h THR 238 N 0.65 0.33 -0.49 -0.16 2.02 -1.29 -3.41 112.91 110.56 3m81 h THR 238 Ca 0.23 -1.40 -0.72 0.00 0.77 0.00 0.00 66.41 65.29 3m81 h THR 238 Cb 0.11 0.78 -0.08 0.00 -1.74 0.00 0.00 68.15 67.21 3m81 h THR 238 CO -0.06 0.11 2.72 1.41 0.37 0.00 0.00 175.52 180.07 3m81 n HIS 239 N -4.58 3.50 0.33 3.16 8.25 -0.10 -4.77 115.22 121.02 3m81 n HIS 239 Ca -0.14 -2.93 0.14 0.00 -0.26 0.00 0.00 57.72 54.53 3m81 n HIS 239 Cb 0.37 -2.39 0.61 0.00 1.12 0.00 0.00 29.99 29.71 3m81 n HIS 239 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m81 h ARG 240 N 6.08 0.00 -0.26 -0.41 3.08 -1.80 -1.63 114.38 119.45 3m81 h ARG 240 Ca 0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.56 3m81 h ARG 240 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3m81 h ARG 240 CO 1.77 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 180.27 3m81 n ASP 241 N -2.57 1.88 -0.12 7.04 5.75 -1.26 -4.40 116.55 122.87 3m81 n ASP 241 Ca 0.01 -1.83 0.01 0.00 -0.01 0.00 0.00 54.79 52.97 3m81 n ASP 241 Cb 0.23 -0.17 0.03 0.00 -1.03 0.00 0.00 41.12 40.18 3m81 n ASP 241 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3m81 n LYS 242 N 0.48 2.76 0.01 0.11 4.76 -0.61 -4.78 118.16 120.89 3m81 n LYS 242 Ca 0.15 -1.55 -0.10 0.00 -2.87 0.00 0.00 58.31 53.94 3m81 n LYS 242 Cb 0.34 -1.05 -0.03 0.00 -1.84 0.00 0.00 35.03 32.44 3m81 n LYS 242 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3m81 h GLU 243 N 0.39 -0.28 -0.43 1.97 4.81 -1.77 -0.66 114.58 118.62 3m81 h GLU 243 Ca 0.00 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3m81 h GLU 243 Cb 0.52 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 3m81 h GLU 243 CO 0.00 -0.18 0.22 1.49 -0.73 0.00 0.00 179.01 179.80 3m81 h GLU 244 N -0.29 0.61 -0.60 1.92 4.81 -1.95 -1.72 114.58 117.36 3m81 h GLU 244 Ca 0.10 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3m81 h GLU 244 Cb 0.43 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 3m81 h GLU 244 CO -0.28 0.51 0.32 0.82 -0.73 0.00 0.00 179.01 179.65 3m81 h ILE 245 N 0.56 1.20 -0.28 2.32 2.04 -1.84 -0.49 117.51 121.02 3m81 h ILE 245 Ca 0.15 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 3m81 h ILE 245 Cb 0.09 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3m81 h ILE 245 CO -0.02 0.22 0.15 0.58 0.00 0.00 0.00 178.15 179.08 3m81 h VAL 246 N 0.82 1.13 -0.01 1.67 2.07 -0.60 0.02 116.25 121.34 3m81 h VAL 246 Ca 0.21 -0.33 -0.16 0.00 0.82 0.00 0.00 66.70 67.23 3m81 h VAL 246 Cb 0.06 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3m81 h VAL 246 CO -0.03 0.13 -0.75 -0.26 0.02 0.00 0.00 177.57 176.67 3m81 h PHE 247 N 0.34 0.13 0.07 1.57 0.04 -1.22 -0.83 116.94 117.04 3m81 h PHE 247 Ca 0.10 -0.06 0.02 0.00 2.80 0.00 0.00 57.97 60.83 3m81 h PHE 247 Cb 0.06 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.16 3m81 h PHE 247 CO -0.03 0.80 -0.25 -0.09 -0.60 0.00 0.00 178.31 178.14 3m81 h ARG 248 N 0.06 -0.41 -0.21 1.51 2.43 -0.76 -1.59 114.38 115.41 3m81 h ARG 248 Ca -0.02 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3m81 h ARG 248 Cb 1.32 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.94 3m81 h ARG 248 CO 0.11 -0.27 0.06 1.15 -1.51 0.00 0.00 179.97 179.50 3m81 h THR 249 N -0.43 0.93 0.00 0.20 2.02 -0.53 -2.65 112.91 112.45 3m81 h THR 249 Ca 0.04 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 3m81 h THR 249 Cb 0.47 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3m81 h THR 249 CO -0.17 0.03 -0.15 -0.07 0.37 0.00 0.00 175.52 175.53 3m81 h LEU 250 N 0.15 0.00 -2.06 2.58 3.38 -0.96 -1.86 115.31 116.54 3m81 h LEU 250 Ca 0.09 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.13 3m81 h LEU 250 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3m81 h LEU 250 CO -0.11 0.15 0.18 0.77 0.09 0.00 0.00 178.44 179.52 3m81 h SER 251 N 0.00 0.00 0.77 -0.43 4.64 -0.91 -0.11 113.55 117.51 3m81 h SER 251 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m81 h SER 251 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3m81 h SER 251 CO 0.02 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.76 3m81 n TYR 252 N -4.33 0.22 -0.16 4.77 4.02 -0.70 -3.58 117.16 117.40 3m81 n TYR 252 Ca 0.03 0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 3m81 n TYR 252 Cb 0.32 -0.63 0.00 0.00 -0.02 0.00 0.00 39.34 39.02 3m81 n TYR 252 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3m81 n PHE 253 N -1.69 0.00 -2.85 -0.72 3.72 -0.09 -5.04 117.46 110.79 3m81 n PHE 253 Ca 0.04 -0.42 -0.41 0.00 -0.05 0.00 0.00 57.45 56.61 3m81 n PHE 253 Cb 0.25 -0.04 -0.04 0.00 -0.94 0.00 0.00 39.48 38.71 3m81 n PHE 253 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3m81 s ASP 254 N -0.84 7.07 0.49 4.37 -1.08 -0.99 -4.89 116.67 120.80 3m81 s ASP 254 Ca 0.00 1.30 0.25 0.00 -0.52 0.00 0.00 52.55 53.58 3m81 s ASP 254 Cb 0.00 -2.48 1.32 0.00 -1.46 0.00 0.00 42.92 40.30 3m81 s ASP 254 CO 0.00 -0.35 1.91 1.23 0.52 0.00 0.00 175.17 178.48 3m81 h GLY 255 N 7.84 0.30 0.97 2.66 0.00 -1.36 -0.84 103.07 112.65 3m81 h GLY 255 Ca -0.33 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 3m81 h GLY 255 CO 0.82 0.00 0.20 -2.08 0.00 0.00 0.00 176.54 175.48 3m81 h VAL 256 N 0.15 1.13 -0.01 4.60 2.07 -1.91 0.10 116.25 122.38 3m81 h VAL 256 Ca 0.39 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 3m81 h VAL 256 Cb 1.32 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 3m81 h VAL 256 CO -0.06 0.13 -0.38 0.78 0.02 0.00 0.00 177.57 178.06 3m81 h ASN 257 N 0.45 0.01 -0.17 0.57 2.35 -1.50 -2.37 115.58 114.93 3m81 h ASN 257 Ca 0.12 -0.01 -0.22 0.00 -0.55 0.00 0.00 56.30 55.65 3m81 h ASN 257 Cb 0.04 -0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.41 3m81 h ASN 257 CO -0.02 0.40 -0.76 -0.26 -1.65 0.00 0.00 177.43 175.13 3m81 h PHE 258 N 0.01 1.09 -0.65 1.19 0.04 -1.26 -3.29 116.94 114.07 3m81 h PHE 258 Ca -0.00 -0.47 0.08 0.00 2.80 0.00 0.00 57.97 60.38 3m81 h PHE 258 Cb 0.68 -0.17 -0.06 0.00 2.20 0.00 0.00 35.95 38.60 3m81 h PHE 258 CO 0.00 1.31 0.31 0.00 -0.60 0.00 0.00 178.31 179.33 3m81 h ALA 259 N 0.56 0.87 0.00 2.45 0.00 -0.51 -0.90 119.26 121.73 3m81 h ALA 259 Ca -0.05 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3m81 h ALA 259 Cb 1.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3m81 h ALA 259 CO 0.16 -0.08 0.17 0.00 0.00 0.00 0.00 179.25 179.51 3m81 h ALA 260 N 1.39 1.17 0.00 0.00 0.00 -1.46 -2.01 119.26 118.35 3m81 h ALA 260 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3m81 h ALA 260 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3m81 h ALA 260 CO -0.25 -0.17 -1.02 0.54 0.00 0.00 0.00 179.25 178.35 3m81 n ARG 261 N -2.93 1.79 -2.64 0.00 1.74 -0.40 -4.58 116.66 109.64 3m81 n ARG 261 Ca -0.02 -0.05 -0.40 0.00 -0.77 0.00 0.00 57.85 56.61 3m81 n ARG 261 Cb 0.23 -1.18 -0.05 0.00 -1.02 0.00 0.00 32.46 30.43 3m81 n ARG 261 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3m81 s ALA 262 N -2.49 3.35 -0.01 7.54 0.00 -0.82 -4.85 121.76 124.47 3m81 s ALA 262 Ca 0.01 0.73 0.05 0.00 0.00 0.00 0.00 51.96 52.74 3m81 s ALA 262 Cb 0.09 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.88 3m81 s ALA 262 CO 0.52 0.05 0.11 1.63 0.00 0.00 0.00 175.76 178.07 3m81 n LYS 263 N 1.27 0.21 -2.12 0.00 4.76 -1.26 -1.51 118.16 119.51 3m81 n LYS 263 Ca -0.01 -0.04 -0.33 0.00 -2.87 0.00 0.00 58.31 55.06 3m81 n LYS 263 Cb 0.46 -1.11 0.00 0.00 -1.84 0.00 0.00 35.03 32.55 3m81 n LYS 263 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 3m81 s ILE 264 N -2.32 3.95 0.54 -0.18 -4.36 -1.26 -4.18 121.20 113.39 3m81 s ILE 264 Ca -0.02 0.93 -0.21 0.00 -0.26 0.00 0.00 60.65 61.10 3m81 s ILE 264 Cb 0.03 -3.45 -0.05 0.00 1.25 0.00 0.00 42.46 40.24 3m81 s ILE 264 CO 0.20 -0.54 1.24 -2.84 0.24 0.00 0.00 174.94 173.24 3m81 s PRO 265 N -4.06 3.24 -0.03 0.37 0.02 -1.26 -4.31 135.00 128.97 3m81 s PRO 265 Ca 0.63 1.93 -0.02 0.00 0.02 0.00 0.00 61.00 63.55 3m81 s PRO 265 Cb -0.15 -2.15 0.01 0.00 0.02 0.00 0.00 34.50 32.23 3m81 s PRO 265 CO 0.36 -1.02 0.07 0.00 -0.33 0.00 0.00 177.00 176.08 3m81 s ALA 266 N -1.50 -0.17 -0.23 -1.55 0.00 -0.25 -0.92 121.76 117.15 3m81 s ALA 266 Ca 0.72 0.21 -0.01 0.00 0.00 0.00 0.00 51.96 52.88 3m81 s ALA 266 Cb -0.33 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 22.68 3m81 s ALA 266 CO 0.38 -0.04 -0.09 -1.17 0.00 0.00 0.00 175.76 174.84 3m81 s LEU 267 N 0.10 2.90 0.27 0.00 2.96 -0.25 -1.42 118.68 123.24 3m81 s LEU 267 Ca -0.01 -0.73 0.06 0.00 -0.22 0.00 0.00 54.13 53.23 3m81 s LEU 267 Cb -0.01 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 3m81 s LEU 267 CO -0.00 -0.08 0.35 -0.36 -1.32 0.00 0.00 176.35 174.94 3m81 s PHE 268 N 1.34 3.28 0.04 5.38 0.40 0.22 -1.16 117.98 127.49 3m81 s PHE 268 Ca 0.02 -0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 3m81 s PHE 268 Cb -0.15 -1.65 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 3m81 s PHE 268 CO -0.06 0.33 -0.04 -1.54 0.70 0.00 0.00 175.22 174.61 3m81 s SER 269 N -4.00 0.53 -0.13 1.36 1.04 -0.85 -1.28 113.70 110.37 3m81 s SER 269 Ca 0.37 -0.75 -0.14 0.00 0.48 0.00 0.00 55.95 55.91 3m81 s SER 269 Cb -0.09 0.13 0.04 0.00 0.10 0.00 0.00 66.02 66.20 3m81 s SER 269 CO 0.29 -0.42 0.38 0.54 0.98 0.00 0.00 173.24 175.01 3m81 s VAL 270 N -2.61 0.00 -0.19 5.02 0.11 -0.63 -1.47 120.40 120.64 3m81 s VAL 270 Ca -0.03 -0.03 -0.05 0.00 -2.93 0.00 0.00 61.98 58.93 3m81 s VAL 270 Cb -0.02 -0.55 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 3m81 s VAL 270 CO -0.05 -0.02 0.01 -0.83 -3.33 0.00 0.00 175.10 170.88 3m81 s GLY 271 N 0.09 1.76 0.09 6.54 0.00 -1.26 -0.97 107.32 113.56 3m81 s GLY 271 Ca -0.01 -0.89 0.23 0.00 0.00 0.00 0.00 44.72 44.05 3m81 s GLY 271 CO 0.01 0.12 1.72 1.04 0.00 0.00 0.00 173.10 175.99 3m81 n LEU 272 N 3.91 0.28 -0.93 0.66 4.77 -0.79 -2.30 117.00 122.60 3m81 n LEU 272 Ca -0.17 0.54 0.08 0.00 -0.03 0.00 0.00 56.01 56.43 3m81 n LEU 272 Cb 0.52 -0.48 0.25 0.00 -2.33 0.00 0.00 43.42 41.38 3m81 n LEU 272 CO 0.33 -0.21 0.70 0.23 -1.33 0.00 0.00 177.39 177.11 3m81 n MET 273 N -1.78 3.09 -2.23 3.23 2.81 -0.73 -4.61 117.12 116.90 3m81 n MET 273 Ca 0.05 -2.63 -0.43 0.00 -1.81 0.00 0.00 57.70 52.88 3m81 n MET 273 Cb 0.29 -1.70 -0.02 0.00 -0.71 0.00 0.00 33.22 31.07 3m81 n MET 273 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3m81 s ASP 274 N -1.50 6.27 0.00 7.83 -1.08 -0.97 -4.36 116.67 122.85 3m81 s ASP 274 Ca 0.38 1.13 0.23 0.00 -0.52 0.00 0.00 52.55 53.77 3m81 s ASP 274 Cb 0.28 -2.53 0.50 0.00 -1.46 0.00 0.00 42.92 39.70 3m81 s ASP 274 CO 0.13 -1.43 1.45 -0.46 0.52 0.00 0.00 175.17 175.37 3m81 n ASN 275 N 8.98 3.64 -0.10 -0.34 6.94 -1.26 -3.72 115.26 129.40 3m81 n ASN 275 Ca 0.18 -2.00 -0.24 0.00 -0.02 0.00 0.00 54.58 52.51 3m81 n ASN 275 Cb 0.47 -0.33 -0.11 0.00 -2.36 0.00 0.00 39.78 37.45 3m81 n ASN 275 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 3m81 n ILE 276 N 1.56 1.57 -3.96 1.53 2.08 -1.26 -4.60 119.36 116.28 3m81 n ILE 276 Ca 0.21 -0.30 -0.31 0.00 0.56 0.00 0.00 62.75 62.91 3m81 n ILE 276 Cb 0.62 -1.88 -0.14 0.00 -0.75 0.00 0.00 39.64 37.49 3m81 n ILE 276 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3m81 s PRO 278 N 0.37 3.89 0.31 0.00 0.02 -1.24 -4.69 135.00 133.64 3m81 s PRO 278 Ca 0.14 1.93 0.06 0.00 0.02 0.00 0.00 61.00 63.15 3m81 s PRO 278 Cb -0.22 -2.59 0.76 0.00 0.02 0.00 0.00 34.50 32.46 3m81 s PRO 278 CO -0.04 -0.49 1.77 -1.35 -0.33 0.00 0.00 177.00 176.56 3m81 h PRO 279 N 2.41 0.72 -0.35 5.54 0.11 -1.79 -0.30 132.00 138.34 3m81 h PRO 279 Ca -0.49 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 3m81 h PRO 279 Cb 1.25 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3m81 h PRO 279 CO 0.61 0.48 0.08 0.66 -0.21 0.00 0.00 178.00 179.62 3m81 h SER 280 N 0.75 0.47 -0.25 -2.05 4.64 -1.93 0.16 113.55 115.34 3m81 h SER 280 Ca 0.59 -0.07 -0.15 0.00 -0.47 0.00 0.00 61.79 61.69 3m81 h SER 280 Cb 0.94 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3m81 h SER 280 CO -0.39 0.49 -0.44 0.71 -0.87 0.00 0.00 176.83 176.33 3m81 h THR 281 N 0.51 1.30 0.09 2.95 1.35 -1.38 -1.47 112.91 116.26 3m81 h THR 281 Ca 0.12 -1.64 -0.00 0.00 -0.55 0.00 0.00 66.41 64.33 3m81 h THR 281 Cb 0.21 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 3m81 h THR 281 CO -0.00 0.52 -0.04 0.58 -0.25 0.00 0.00 175.52 176.33 3m81 h VAL 282 N 0.47 1.01 -0.49 6.82 2.07 -1.19 -2.61 116.25 122.34 3m81 h VAL 282 Ca 0.02 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 3m81 h VAL 282 Cb 1.04 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 3m81 h VAL 282 CO 0.10 0.09 0.15 -0.26 0.02 0.00 0.00 177.57 177.67 3m81 h PHE 283 N -0.27 0.72 -0.42 1.57 0.04 -0.74 0.64 116.94 118.49 3m81 h PHE 283 Ca -0.01 -0.05 0.07 0.00 2.80 0.00 0.00 57.97 60.78 3m81 h PHE 283 Cb 0.23 -0.22 -0.06 0.00 2.20 0.00 0.00 35.95 38.10 3m81 h PHE 283 CO -0.02 0.59 0.08 0.00 -0.60 0.00 0.00 178.31 178.36 3m81 h ALA 284 N 1.47 0.45 -0.07 2.45 0.00 -1.16 0.54 119.26 122.94 3m81 h ALA 284 Ca 0.16 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3m81 h ALA 284 Cb 0.21 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3m81 h ALA 284 CO -0.01 -0.32 0.01 0.00 0.00 0.00 0.00 179.25 178.93 3m81 h ALA 285 N 1.32 0.09 -0.40 0.00 0.00 -0.98 -2.52 119.26 116.77 3m81 h ALA 285 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3m81 h ALA 285 Cb 0.25 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3m81 h ALA 285 CO -0.27 -0.27 0.26 -0.92 0.00 0.00 0.00 179.25 178.05 3m81 h TYR 286 N -0.12 0.51 -0.55 0.00 3.20 -0.48 -1.27 116.97 118.26 3m81 h TYR 286 Ca 0.02 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 3m81 h TYR 286 Cb 0.27 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3m81 h TYR 286 CO 0.01 0.33 0.07 -0.91 -1.64 0.00 0.00 178.16 176.02 3m81 h ASN 287 N 0.54 0.84 1.51 -2.11 2.35 0.07 -2.47 115.58 116.31 3m81 h ASN 287 Ca 0.15 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3m81 h ASN 287 Cb -0.05 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.10 3m81 h ASN 287 CO -0.03 0.86 0.00 1.88 -1.65 0.00 0.00 177.43 178.49 3m81 h TYR 288 N 0.83 0.00 -2.12 1.19 0.05 -1.25 -3.47 116.97 112.20 3m81 h TYR 288 Ca 0.17 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 58.35 3m81 h TYR 288 Cb 0.40 0.00 0.04 0.00 1.01 0.00 0.00 36.73 38.17 3m81 h TYR 288 CO 0.02 0.00 0.96 0.98 -1.05 0.00 0.00 178.16 179.07 3m81 n TYR 289 N -2.64 2.29 1.09 4.88 9.36 -0.50 -3.46 117.16 128.20 3m81 n TYR 289 Ca 0.04 0.12 0.12 0.00 3.32 0.00 0.00 57.90 61.50 3m81 n TYR 289 Cb 0.43 -2.61 0.15 0.00 -0.63 0.00 0.00 39.34 36.67 3m81 n TYR 289 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3m81 n ALA 290 N 5.20 3.48 -2.02 2.98 0.00 -0.81 -4.91 120.51 124.42 3m81 n ALA 290 Ca 0.20 -0.53 -0.19 0.00 0.00 0.00 0.00 53.44 52.91 3m81 n ALA 290 Cb 0.29 -0.94 0.05 0.00 0.00 0.00 0.00 19.45 18.85 3m81 n ALA 290 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3m81 s GLY 291 N -2.56 1.79 0.33 0.00 0.00 -0.57 -4.74 107.32 101.57 3m81 s GLY 291 Ca 0.19 -1.96 -0.29 0.00 0.00 0.00 0.00 44.72 42.67 3m81 s GLY 291 CO 0.58 -1.57 1.52 -4.14 0.00 0.00 0.00 173.10 169.50 3m81 s PRO 292 N -4.63 4.14 -0.01 2.90 0.02 -1.26 -4.87 135.00 131.29 3m81 s PRO 292 Ca 0.60 2.53 -0.19 0.00 0.02 0.00 0.00 61.00 63.97 3m81 s PRO 292 Cb -0.07 -3.01 0.03 0.00 0.02 0.00 0.00 34.50 31.48 3m81 s PRO 292 CO 0.38 -0.55 0.40 -1.59 -0.33 0.00 0.00 177.00 175.31 3m81 s LYS 293 N -1.24 0.79 0.03 5.54 -2.85 -1.26 -1.10 119.74 119.66 3m81 s LYS 293 Ca 0.58 -0.13 -0.01 0.00 -1.00 0.00 0.00 55.97 55.40 3m81 s LYS 293 Cb -0.46 0.36 -0.03 0.00 -2.06 0.00 0.00 37.83 35.64 3m81 s LYS 293 CO 0.54 -0.24 -0.01 -1.21 0.10 0.00 0.00 175.35 174.54 3m81 s GLU 294 N -1.50 0.46 -0.03 1.78 2.02 -0.50 -4.97 118.70 115.95 3m81 s GLU 294 Ca -0.12 -0.84 0.02 0.00 0.02 0.00 0.00 54.97 54.05 3m81 s GLU 294 Cb -0.03 0.16 0.01 0.00 0.10 0.00 0.00 34.13 34.37 3m81 s GLU 294 CO 0.04 -0.09 -0.08 -1.50 0.02 0.00 0.00 175.26 173.66 3m81 s ILE 295 N -2.49 0.70 -0.21 -1.63 2.07 -1.26 -0.61 121.20 117.77 3m81 s ILE 295 Ca -0.06 -0.29 -0.12 0.00 -1.41 0.00 0.00 60.65 58.77 3m81 s ILE 295 Cb -0.02 -0.64 -0.05 0.00 0.13 0.00 0.00 42.46 41.87 3m81 s ILE 295 CO -0.05 0.23 0.22 -0.13 -1.91 0.00 0.00 174.94 173.31 3m81 s ARG 296 N 0.38 4.15 -0.19 3.50 1.81 -0.40 -4.96 118.95 123.23 3m81 s ARG 296 Ca -0.06 -0.10 -0.05 0.00 -1.72 0.00 0.00 55.73 53.80 3m81 s ARG 296 Cb -0.10 -3.49 -0.03 0.00 -0.45 0.00 0.00 34.95 30.89 3m81 s ARG 296 CO 0.01 0.13 -0.00 0.42 -0.68 0.00 0.00 175.30 175.17 3m81 s ILE 297 N 0.83 3.99 -0.48 1.52 1.01 -1.26 -1.61 121.20 125.20 3m81 s ILE 297 Ca 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 3m81 s ILE 297 Cb -0.13 -2.80 0.13 0.00 0.01 0.00 0.00 42.46 39.67 3m81 s ILE 297 CO 0.03 0.44 0.26 -0.31 0.00 0.00 0.00 174.94 175.37 3m81 s TYR 298 N 0.89 3.50 0.24 3.97 2.02 -0.14 -4.98 117.35 122.84 3m81 s TYR 298 Ca 0.01 -2.72 0.24 0.00 -0.37 0.00 0.00 57.07 54.23 3m81 s TYR 298 Cb -0.14 -3.11 1.05 0.00 -0.40 0.00 0.00 41.96 39.36 3m81 s TYR 298 CO 0.02 -0.89 1.89 -1.35 -1.57 0.00 0.00 175.55 173.65 3m81 h PRO 299 N 7.42 0.00 -0.18 -1.71 0.11 -1.96 -2.07 132.00 133.60 3m81 h PRO 299 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3m81 h PRO 299 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3m81 h PRO 299 CO 0.67 0.22 0.00 0.66 -0.21 0.00 0.00 178.00 179.34 3m81 n TYR 300 N -3.52 0.23 -3.58 0.65 4.01 -1.26 -4.15 117.16 109.54 3m81 n TYR 300 Ca -0.01 -0.19 -0.37 0.00 -0.16 0.00 0.00 57.90 57.17 3m81 n TYR 300 Cb 0.38 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.34 3m81 n TYR 300 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3m81 s ASN 301 N -1.12 6.71 0.00 7.72 0.02 -1.13 -4.85 114.94 122.29 3m81 s ASN 301 Ca 0.22 0.85 0.00 0.00 -1.02 0.00 0.00 52.86 52.91 3m81 s ASN 301 Cb 0.13 -2.21 0.00 0.00 0.02 0.00 0.00 41.25 39.20 3m81 s ASN 301 CO 0.19 0.30 0.00 0.59 0.02 0.00 0.00 177.10 178.20 3m81 n ASN 302 N 1.63 0.00 0.25 -1.22 4.13 -1.26 -1.77 115.26 117.02 3m81 n ASN 302 Ca -0.13 0.00 0.17 0.00 1.68 0.00 0.00 54.58 56.29 3m81 n ASN 302 Cb 0.53 0.00 0.72 0.00 -1.54 0.00 0.00 39.78 39.49 3m81 n ASN 302 CO 0.00 0.00 0.00 -0.74 0.28 0.00 0.00 177.26 176.80 3m81 h HIS 303 N 0.00 0.00 0.00 3.10 -0.00 -1.92 -2.42 115.15 113.92 3m81 h HIS 303 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3m81 h HIS 303 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 3m81 h HIS 303 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 177.93 178.98 3m81 h GLU 304 N 0.00 0.00 0.00 5.26 9.09 -1.99 -3.48 114.58 123.46 3m81 h GLU 304 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3m81 h GLU 304 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 3m81 h GLU 304 CO 0.00 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.47 3m81 n GLY 305 N -0.95 2.98 0.04 1.06 0.00 -0.91 -2.29 105.19 105.11 3m81 n GLY 305 Ca -0.01 -0.33 0.15 0.00 0.00 0.00 0.00 46.02 45.83 3m81 n GLY 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m81 n GLY 306 N 0.00 -1.14 7.00 -0.02 0.00 -1.26 -4.82 105.19 104.95 3m81 n GLY 306 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3m81 n GLY 306 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m81 n GLY 307 N 1.27 2.54 0.25 -0.02 0.00 -0.97 -1.13 105.19 107.13 3m81 n GLY 307 Ca 0.15 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.15 3m81 n GLY 307 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3m81 h SER 308 N 1.04 0.00 -0.61 1.61 0.02 -1.94 -1.59 113.55 112.08 3m81 h SER 308 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3m81 h SER 308 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3m81 h SER 308 CO 0.00 0.14 0.36 -0.26 -1.14 0.00 0.00 176.83 175.94 3m81 h PHE 309 N 0.00 0.80 -0.20 3.45 -1.00 -1.54 -2.42 116.94 116.04 3m81 h PHE 309 Ca -0.00 -0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.70 3m81 h PHE 309 Cb 0.30 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 3m81 h PHE 309 CO 0.00 0.55 -0.19 0.37 -1.61 0.00 0.00 178.31 177.43 3m81 h GLN 310 N 0.82 0.34 -0.25 1.51 5.75 -0.78 -2.50 115.11 120.01 3m81 h GLN 310 Ca 0.22 -0.10 0.02 0.00 -0.15 0.00 0.00 58.65 58.64 3m81 h GLN 310 Cb -0.02 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 3m81 h GLN 310 CO -0.04 0.53 0.10 0.00 -2.65 0.00 0.00 178.83 176.76 3m81 h ALA 311 N 1.49 0.28 -0.41 3.38 0.00 -1.26 0.32 119.26 123.07 3m81 h ALA 311 Ca 0.06 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3m81 h ALA 311 Cb 0.52 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3m81 h ALA 311 CO 0.03 -0.31 0.13 0.28 0.00 0.00 0.00 179.25 179.38 3m81 h VAL 312 N 0.22 0.86 -0.54 0.00 2.07 -1.21 -1.75 116.25 115.89 3m81 h VAL 312 Ca 0.11 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3m81 h VAL 312 Cb 0.06 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3m81 h VAL 312 CO -0.10 0.05 0.36 -0.33 0.02 0.00 0.00 177.57 177.57 3m81 h GLU 313 N 0.28 0.71 -0.16 1.57 4.39 -0.89 -1.22 114.58 119.27 3m81 h GLU 313 Ca 0.19 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.73 3m81 h GLU 313 Cb 0.19 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3m81 h GLU 313 CO -0.21 0.47 -0.34 1.96 -1.16 0.00 0.00 179.01 179.73 3m81 h GLN 314 N 0.73 0.52 -0.62 2.33 4.20 -0.38 0.96 115.11 122.85 3m81 h GLN 314 Ca 0.20 -0.34 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 3m81 h GLN 314 Cb -0.08 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 3m81 h GLN 314 CO -0.04 0.95 0.39 0.28 -0.67 0.00 0.00 178.83 179.73 3m81 h VAL 315 N 0.15 1.17 -0.48 -0.54 2.07 -0.93 -1.49 116.25 116.20 3m81 h VAL 315 Ca 0.00 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 3m81 h VAL 315 Cb 0.94 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3m81 h VAL 315 CO 0.08 0.18 0.13 0.11 0.02 0.00 0.00 177.57 178.08 3m81 h LYS 316 N 0.84 0.76 -0.35 1.57 1.57 -1.16 -2.30 116.57 117.50 3m81 h LYS 316 Ca 0.22 -0.18 0.05 0.00 -1.87 0.00 0.00 60.65 58.88 3m81 h LYS 316 Cb -0.05 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.11 3m81 h LYS 316 CO -0.04 0.73 0.08 0.35 -0.57 0.00 0.00 179.45 180.00 3m81 h PHE 317 N 0.65 0.14 -0.06 -1.35 3.57 -0.41 -1.98 116.94 117.51 3m81 h PHE 317 Ca 0.15 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.44 3m81 h PHE 317 Cb 0.30 -0.01 0.01 0.00 2.79 0.00 0.00 35.95 39.04 3m81 h PHE 317 CO 0.02 0.04 -0.90 -0.07 -2.23 0.00 0.00 178.31 175.17 3m81 h LEU 318 N 0.21 0.79 -0.10 0.59 3.38 -1.22 -1.19 115.31 117.77 3m81 h LEU 318 Ca 0.16 -0.58 0.04 0.00 0.09 0.00 0.00 57.88 57.60 3m81 h LEU 318 Cb 0.17 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 3m81 h LEU 318 CO -0.20 1.37 -0.32 0.50 0.09 0.00 0.00 178.44 179.88 3m81 h LYS 319 N 0.39 -0.39 -0.79 1.13 3.64 -1.29 -0.92 116.57 118.35 3m81 h LYS 319 Ca -0.08 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3m81 h LYS 319 Cb 1.53 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 33.40 3m81 h LYS 319 CO 0.17 -0.26 0.47 -0.22 -2.27 0.00 0.00 179.45 177.34 3m81 h LYS 320 N -0.41 1.08 -0.86 1.90 3.64 -1.31 -2.73 116.57 117.88 3m81 h LYS 320 Ca 0.09 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3m81 h LYS 320 Cb 0.54 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 3m81 h LYS 320 CO -0.33 0.77 0.53 1.25 -2.27 0.00 0.00 179.45 179.41 3m81 h LEU 321 N 1.09 1.02 -1.42 5.20 5.85 -0.63 -2.50 115.31 123.91 3m81 h LEU 321 Ca 0.28 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3m81 h LEU 321 Cb -0.02 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.75 3m81 h LEU 321 CO -0.05 0.77 0.00 0.49 -0.34 0.00 0.00 178.44 179.31 3m81 n PHE 322 N -4.44 0.32 -0.05 1.25 3.72 -0.40 -2.77 117.46 115.09 3m81 n PHE 322 Ca 0.09 -0.16 -0.09 0.00 -0.05 0.00 0.00 57.45 57.23 3m81 n PHE 322 Cb 0.04 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.44 3m81 n PHE 322 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3m81 n GLU 323 N 0.63 0.66 0.00 -1.08 1.02 -1.04 -5.07 120.64 115.75 3m81 n GLU 323 Ca 0.16 0.18 0.14 0.00 -0.02 0.00 0.00 57.16 57.62 3m81 n GLU 323 Cb 0.39 -1.68 0.42 0.00 -0.02 0.00 0.00 31.44 30.54 3m81 n GLU 323 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94