#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dmd n PHE 2 N 0.00 -0.41 -0.20 1.12 3.72 -0.04 -4.86 117.46 116.79 3dmd n PHE 2 Ca 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.39 3dmd n PHE 2 Cb 0.00 -2.88 0.10 0.00 -0.94 0.00 0.00 39.48 35.76 3dmd n PHE 2 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3dmd h GLY 3 N 0.00 0.86 0.93 1.37 0.00 -1.66 -0.85 103.07 103.72 3dmd h GLY 3 Ca -0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 3dmd h GLY 3 CO 0.46 0.03 0.13 1.70 0.00 0.00 0.00 176.54 178.86 3dmd h LYS 4 N 0.47 0.45 -0.21 4.80 1.63 -1.62 -1.10 116.57 120.98 3dmd h LYS 4 Ca 0.30 -0.07 0.04 0.00 -0.85 0.00 0.00 60.65 60.06 3dmd h LYS 4 Cb 0.32 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.84 3dmd h LYS 4 CO -0.27 0.44 -0.03 1.25 -3.45 0.00 0.00 179.45 177.40 3dmd h LEU 5 N 0.35 -0.14 -0.52 5.20 5.85 -1.21 -2.79 115.31 122.04 3dmd h LEU 5 Ca 0.10 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.91 3dmd h LEU 5 Cb 0.15 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3dmd h LEU 5 CO -0.01 -0.05 0.29 -0.09 -0.34 0.00 0.00 178.44 178.25 3dmd h ARG 6 N 0.03 0.56 -0.84 1.25 2.43 -0.79 -2.04 114.38 114.97 3dmd h ARG 6 Ca 0.10 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.28 3dmd h ARG 6 Cb 0.14 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 3dmd h ARG 6 CO -0.19 0.37 0.55 1.49 -1.51 0.00 0.00 179.97 180.68 3dmd h GLU 7 N 0.57 0.98 0.13 0.20 4.81 -0.96 -0.46 114.58 119.86 3dmd h GLU 7 Ca 0.22 -0.06 -0.31 0.00 -0.13 0.00 0.00 59.36 59.08 3dmd h GLU 7 Cb 0.08 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 3dmd h GLU 7 CO -0.13 0.65 -1.58 0.87 -0.73 0.00 0.00 179.01 178.10 3dmd h LYS 8 N 1.01 0.28 -0.77 1.92 1.79 -1.23 -2.27 116.57 117.30 3dmd h LYS 8 Ca 0.35 -0.47 -0.02 0.00 -2.18 0.00 0.00 60.65 58.33 3dmd h LYS 8 Cb 0.10 0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 30.88 3dmd h LYS 8 CO -0.11 1.14 0.42 -0.07 -1.08 0.00 0.00 179.45 179.75 3dmd h LEU 9 N 0.08 0.96 -0.43 2.94 3.38 -1.24 -2.00 115.31 119.00 3dmd h LEU 9 Ca -0.26 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 3dmd h LEU 9 Cb 2.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.52 3dmd h LEU 9 CO 0.16 0.79 0.14 0.50 0.09 0.00 0.00 178.44 180.12 3dmd h LYS 10 N 1.07 0.67 -0.47 1.13 3.64 -1.10 -1.95 116.57 119.55 3dmd h LYS 10 Ca 0.27 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3dmd h LYS 10 Cb 0.04 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3dmd h LYS 10 CO -0.04 0.65 0.09 0.66 -2.27 0.00 0.00 179.45 178.53 3dmd h SER 11 N 0.55 0.68 -0.10 4.20 4.64 -1.27 -1.54 113.55 120.71 3dmd h SER 11 Ca 0.14 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3dmd h SER 11 Cb 0.26 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3dmd h SER 11 CO -0.00 0.69 0.05 0.15 -0.87 0.00 0.00 176.83 176.85 3dmd h PHE 12 N 0.70 0.14 -0.71 4.77 3.57 -1.14 0.12 116.94 124.40 3dmd h PHE 12 Ca 0.15 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.72 3dmd h PHE 12 Cb 0.31 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.94 3dmd h PHE 12 CO 0.02 0.18 0.38 0.28 -2.23 0.00 0.00 178.31 176.94 3dmd h VAL 13 N 0.05 0.91 -0.13 1.41 2.07 -1.10 -0.96 116.25 118.51 3dmd h VAL 13 Ca 0.03 -0.23 -0.15 0.00 0.82 0.00 0.00 66.70 67.18 3dmd h VAL 13 Cb 0.09 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 3dmd h VAL 13 CO -0.01 0.12 -0.56 0.11 0.02 0.00 0.00 177.57 177.26 3dmd h LYS 14 N 0.67 0.40 -0.60 1.57 1.79 -1.08 -1.42 116.57 117.89 3dmd h LYS 14 Ca 0.33 -0.26 -0.03 0.00 -2.18 0.00 0.00 60.65 58.52 3dmd h LYS 14 Cb 0.28 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.93 3dmd h LYS 14 CO -0.22 0.85 0.26 0.00 -1.08 0.00 0.00 179.45 179.26 3dmd h ARG 15 N 0.31 0.89 -0.20 3.15 3.08 -0.07 -2.66 114.38 118.86 3dmd h ARG 15 Ca 0.00 -0.15 -0.18 0.00 0.07 0.00 0.00 59.98 59.72 3dmd h ARG 15 Cb 1.08 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.98 3dmd h ARG 15 CO 0.10 0.75 -0.56 0.28 -1.07 0.00 0.00 179.97 179.46 3dmd h VAL 16 N 0.83 1.30 -0.71 2.04 2.07 -1.09 -3.20 116.25 117.49 3dmd h VAL 16 Ca 0.20 -1.78 0.16 0.00 0.82 0.00 0.00 66.70 66.10 3dmd h VAL 16 Cb 0.17 1.86 -0.12 0.00 -1.52 0.00 0.00 31.29 31.69 3dmd h VAL 16 CO -0.02 0.56 0.04 -0.08 0.02 0.00 0.00 177.57 178.09 3dmd h GLU 17 N 0.46 0.13 -0.39 1.57 4.81 -1.18 0.13 114.58 120.12 3dmd h GLU 17 Ca -0.01 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.28 3dmd h GLU 17 Cb 1.18 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.47 3dmd h GLU 17 CO 0.12 0.09 0.04 0.93 -0.73 0.00 0.00 179.01 179.46 3dmd h GLU 18 N 0.14 0.15 -0.18 1.92 5.08 -1.47 0.22 114.58 120.43 3dmd h GLU 18 Ca 0.39 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.67 3dmd h GLU 18 Cb 0.67 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3dmd h GLU 18 CO -0.60 0.10 -0.20 0.93 -1.00 0.00 0.00 179.01 178.24 3dmd h GLU 19 N 0.15 0.31 -0.03 2.33 4.39 -1.06 0.10 114.58 120.77 3dmd h GLU 19 Ca 0.19 -0.09 -0.26 0.00 0.34 0.00 0.00 59.36 59.54 3dmd h GLU 19 Cb 0.25 -0.03 0.02 0.00 -0.10 0.00 0.00 28.75 28.89 3dmd h GLU 19 CO -0.29 0.50 -0.98 0.28 -1.16 0.00 0.00 179.01 177.36 3dmd h VAL 20 N 0.29 1.28 -0.47 3.13 2.07 -0.45 -2.90 116.25 119.19 3dmd h VAL 20 Ca 0.05 -2.19 -0.01 0.00 0.82 0.00 0.00 66.70 65.37 3dmd h VAL 20 Cb 0.52 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 3dmd h VAL 20 CO 0.03 0.68 0.24 -0.33 0.02 0.00 0.00 177.57 178.22 3dmd h GLU 21 N 0.42 0.66 0.00 1.57 3.07 -0.30 -0.05 114.58 119.95 3dmd h GLU 21 Ca -0.11 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 3dmd h GLU 21 Cb 1.63 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.42 3dmd h GLU 21 CO 0.19 0.53 0.00 1.17 -1.40 0.00 0.00 179.01 179.51 3dmd n LYS 22 N -4.66 0.42 0.00 2.33 4.81 0.33 -1.18 118.16 120.21 3dmd n LYS 22 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 3dmd n LYS 22 Cb 0.09 -1.17 0.00 0.00 0.02 0.00 0.00 35.03 33.97 3dmd n LYS 22 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3dmd n GLU 23 N -0.67 2.81 -0.37 1.64 2.13 -0.61 -4.34 120.64 121.22 3dmd n GLU 23 Ca 0.03 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.85 3dmd n GLU 23 Cb 0.02 -0.93 0.13 0.00 0.27 0.00 0.00 31.44 30.93 3dmd n GLU 23 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3dmd h GLU 24 N 0.00 1.26 -1.17 5.31 5.08 0.05 -1.83 114.58 123.27 3dmd h GLU 24 Ca 0.00 -0.08 -0.26 0.00 -1.00 0.00 0.00 59.36 58.02 3dmd h GLU 24 Cb 0.65 -0.29 -0.14 0.00 0.50 0.00 0.00 28.75 29.48 3dmd h GLU 24 CO 0.00 0.84 0.34 -0.85 -1.00 0.00 0.00 179.01 178.34 3dmd n GLU 25 N -4.41 1.64 0.00 2.33 0.28 -0.32 -3.05 120.64 117.11 3dmd n GLU 25 Ca 0.13 -1.44 0.00 0.00 -0.16 0.00 0.00 57.16 55.69 3dmd n GLU 25 Cb 0.06 -1.56 0.00 0.00 1.43 0.00 0.00 31.44 31.36 3dmd n GLU 25 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3dmd n GLU 26 N -0.06 2.37 -1.26 3.44 2.13 -0.71 -4.96 120.64 121.60 3dmd n GLU 26 Ca 0.28 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.79 3dmd n GLU 26 Cb 0.89 -0.97 0.09 0.00 0.27 0.00 0.00 31.44 31.72 3dmd n GLU 26 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3dmd s VAL 27 N -1.94 3.33 0.00 6.31 1.01 -1.10 -5.10 120.40 122.90 3dmd s VAL 27 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.41 3dmd s VAL 27 Cb 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.46 3dmd s VAL 27 CO 0.00 -0.56 0.00 -0.62 0.00 0.00 0.00 175.10 173.92 3dmd n GLU 28 N -3.52 0.00 0.02 2.72 1.02 -1.26 -4.90 120.64 114.71 3dmd n GLU 28 Ca 0.09 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.34 3dmd n GLU 28 Cb 0.53 -1.60 0.06 0.00 -0.02 0.00 0.00 31.44 30.41 3dmd n GLU 28 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3dmd n LEU 37 N -0.74 0.64 -3.89 -4.62 7.94 -1.26 -5.06 117.00 110.00 3dmd n LEU 37 Ca 0.00 -0.06 -0.10 0.00 -1.11 0.00 0.00 56.01 54.74 3dmd n LEU 37 Cb 0.34 -0.12 -0.09 0.00 0.53 0.00 0.00 43.42 44.08 3dmd n LEU 37 CO 0.00 0.08 -0.18 0.28 -1.11 0.00 0.00 177.39 176.46 3dmd s THR 38 N -3.13 0.11 -0.04 1.96 -1.32 -1.26 -3.46 115.64 108.49 3dmd s THR 38 Ca 0.06 -0.88 0.07 0.00 -1.21 0.00 0.00 61.69 59.73 3dmd s THR 38 Cb 0.15 -0.66 -0.02 0.00 -1.51 0.00 0.00 72.50 70.46 3dmd s THR 38 CO 0.79 -0.48 -0.25 0.54 -2.21 0.00 0.00 174.62 173.00 3dmd s VAL 39 N -2.00 2.02 -0.23 5.08 0.11 0.09 -4.91 120.40 120.56 3dmd s VAL 39 Ca -0.10 -1.08 -0.06 0.00 -2.93 0.00 0.00 61.98 57.82 3dmd s VAL 39 Cb -0.04 -1.69 -0.02 0.00 -1.53 0.00 0.00 36.38 33.09 3dmd s VAL 39 CO -0.02 0.57 0.03 -0.70 -3.33 0.00 0.00 175.10 171.65 3dmd s GLU 40 N -0.40 3.59 0.11 1.54 2.12 -1.26 -0.51 118.70 123.89 3dmd s GLU 40 Ca 0.04 -0.52 -0.31 0.00 0.36 0.00 0.00 54.97 54.54 3dmd s GLU 40 Cb -0.12 -3.20 -0.09 0.00 0.26 0.00 0.00 34.13 30.98 3dmd s GLU 40 CO 0.01 -0.14 1.59 0.42 -0.54 0.00 0.00 175.26 176.60 3dmd s ILE 41 N 1.43 2.90 0.19 -3.70 1.01 -0.07 -4.90 121.20 118.07 3dmd s ILE 41 Ca 0.05 0.52 0.08 0.00 0.00 0.00 0.00 60.65 61.30 3dmd s ILE 41 Cb -0.15 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 3dmd s ILE 41 CO 0.02 0.02 -0.01 -0.54 0.00 0.00 0.00 174.94 174.43 3dmd s LYS 42 N 1.89 2.36 0.29 2.79 1.02 -1.26 -0.27 119.74 126.56 3dmd s LYS 42 Ca 0.71 -1.17 0.03 0.00 0.02 0.00 0.00 55.97 55.56 3dmd s LYS 42 Cb -0.41 -2.31 0.73 0.00 -0.52 0.00 0.00 37.83 35.32 3dmd s LYS 42 CO 0.31 0.44 1.65 1.49 -0.92 0.00 0.00 175.35 178.32 3dmd h GLU 43 N 2.58 0.21 0.00 1.68 4.57 -1.96 1.15 114.58 122.82 3dmd h GLU 43 Ca -0.47 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 3dmd h GLU 43 Cb 1.21 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 3dmd h GLU 43 CO 0.58 0.14 0.00 0.36 -1.18 0.00 0.00 179.01 178.91 3dmd n LYS 44 N -5.21 0.10 0.12 1.92 2.85 -1.26 -1.57 118.16 115.11 3dmd n LYS 44 Ca 0.22 0.52 0.06 0.00 -1.05 0.00 0.00 58.31 58.06 3dmd n LYS 44 Cb 0.70 -1.78 0.03 0.00 -0.65 0.00 0.00 35.03 33.33 3dmd n LYS 44 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3dmd h ASP 45 N 0.00 0.00 0.00 -5.58 3.32 0.99 -3.39 116.42 111.76 3dmd h ASP 45 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dmd h ASP 45 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3dmd h ASP 45 CO 0.00 0.30 -1.19 1.33 -1.72 0.00 0.00 179.24 177.96 3dmd n VAL 46 N -3.00 0.00 0.29 -1.35 0.24 -0.61 -4.68 118.33 109.23 3dmd n VAL 46 Ca -0.01 -0.19 -0.15 0.00 -2.04 0.00 0.00 64.34 61.95 3dmd n VAL 46 Cb 0.68 0.43 -0.08 0.00 -1.47 0.00 0.00 33.84 33.39 3dmd n VAL 46 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3dmd h ASP 47 N 0.00 -1.07 -0.96 -1.34 5.19 -1.62 0.25 116.42 116.87 3dmd h ASP 47 Ca 0.00 0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.49 3dmd h ASP 47 Cb 0.32 0.33 -0.05 0.00 0.18 0.00 0.00 39.33 40.11 3dmd h ASP 47 CO 0.00 -0.58 0.63 0.50 -3.12 0.00 0.00 179.24 176.67 3dmd h LYS 48 N -0.90 1.27 -0.55 3.56 3.64 -1.88 -0.46 116.57 121.25 3dmd h LYS 48 Ca -0.07 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.17 3dmd h LYS 48 Cb 0.75 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 3dmd h LYS 48 CO 0.02 0.84 0.11 0.00 -2.27 0.00 0.00 179.45 178.15 3dmd h ALA 49 N 1.39 1.15 -0.24 5.00 0.00 -1.83 -1.77 119.26 122.96 3dmd h ALA 49 Ca 0.35 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3dmd h ALA 49 Cb -0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3dmd h ALA 49 CO -0.07 0.57 0.05 -0.07 0.00 0.00 0.00 179.25 179.72 3dmd h LEU 50 N 0.82 0.38 -0.80 0.00 3.38 0.95 0.27 115.31 120.32 3dmd h LEU 50 Ca 0.18 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.93 3dmd h LEU 50 Cb 0.34 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3dmd h LEU 50 CO 0.00 0.53 0.51 0.44 0.09 0.00 0.00 178.44 180.01 3dmd h ASP 51 N 0.21 0.83 0.45 -0.43 3.32 -1.04 0.30 116.42 120.06 3dmd h ASP 51 Ca 0.07 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 3dmd h ASP 51 Cb 0.31 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3dmd h ASP 51 CO 0.00 0.57 -0.41 -0.33 -1.72 0.00 0.00 179.24 177.35 3dmd h GLU 52 N 0.98 0.00 -0.43 3.56 5.08 -1.19 -2.55 114.58 120.03 3dmd h GLU 52 Ca 0.32 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.55 3dmd h GLU 52 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3dmd h GLU 52 CO -0.12 0.41 -0.24 1.25 -1.00 0.00 0.00 179.01 179.30 3dmd h LEU 53 N 0.00 0.93 -0.00 1.33 5.85 0.40 -1.75 115.31 122.07 3dmd h LEU 53 Ca -0.00 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.36 3dmd h LEU 53 Cb 0.74 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3dmd h LEU 53 CO 0.05 1.12 -0.02 -0.08 -0.34 0.00 0.00 178.44 179.17 3dmd h GLU 54 N 0.77 -0.04 -0.10 1.25 4.81 -0.66 0.11 114.58 120.72 3dmd h GLU 54 Ca 0.10 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 3dmd h GLU 54 Cb 0.80 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.13 3dmd h GLU 54 CO 0.07 -0.02 -0.27 0.82 -0.73 0.00 0.00 179.01 178.87 3dmd h ILE 55 N -0.04 0.37 -1.00 2.32 2.04 -1.37 -1.63 117.51 118.19 3dmd h ILE 55 Ca 0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.91 3dmd h ILE 55 Cb 0.05 0.37 -0.06 0.00 -0.74 0.00 0.00 36.82 36.44 3dmd h ILE 55 CO -0.02 0.00 0.66 0.44 0.00 0.00 0.00 178.15 179.22 3dmd h ASP 56 N -0.36 1.09 -0.21 1.72 3.32 -1.06 -1.91 116.42 119.02 3dmd h ASP 56 Ca 0.09 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 3dmd h ASP 56 Cb 0.49 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 3dmd h ASP 56 CO -0.31 0.75 -0.30 -0.07 -1.72 0.00 0.00 179.24 177.59 3dmd h LEU 57 N 1.27 0.62 -0.99 1.55 3.38 -0.53 -2.61 115.31 118.00 3dmd h LEU 57 Ca 0.40 -0.52 0.08 0.00 0.09 0.00 0.00 57.88 57.93 3dmd h LEU 57 Cb 0.00 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.50 3dmd h LEU 57 CO -0.13 1.01 0.63 -0.07 0.09 0.00 0.00 178.44 179.98 3dmd h LEU 58 N 0.24 0.98 -0.58 1.67 3.38 -1.11 0.17 115.31 120.05 3dmd h LEU 58 Ca 0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3dmd h LEU 58 Cb 0.88 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3dmd h LEU 58 CO 0.07 0.60 0.00 -0.62 0.09 0.00 0.00 178.44 178.58 3dmd n GLU 59 N -4.55 0.15 -0.64 1.13 -0.58 -0.73 -2.70 120.64 112.71 3dmd n GLU 59 Ca 0.16 0.40 0.06 0.00 -0.42 0.00 0.00 57.16 57.36 3dmd n GLU 59 Cb 0.23 -1.80 0.30 0.00 -0.57 0.00 0.00 31.44 29.61 3dmd n GLU 59 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3dmd n ALA 60 N -1.72 3.45 -1.11 0.62 0.00 0.51 -4.94 120.51 117.32 3dmd n ALA 60 Ca 0.02 -2.25 -0.04 0.00 0.00 0.00 0.00 53.44 51.17 3dmd n ALA 60 Cb 0.21 -0.88 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 3dmd n ALA 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3dmd n ASP 61 N -0.19 -3.68 -4.70 0.00 8.00 -1.10 -2.54 116.55 112.35 3dmd n ASP 61 Ca 0.25 0.10 -0.42 0.00 0.71 0.00 0.00 54.79 55.43 3dmd n ASP 61 Cb 1.03 -1.53 -0.03 0.00 -0.02 0.00 0.00 41.12 40.57 3dmd n ASP 61 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3dmd s VAL 62 N -2.08 4.49 0.51 2.53 1.01 -0.74 -3.15 120.40 122.97 3dmd s VAL 62 Ca 0.00 1.79 -0.23 0.00 0.00 0.00 0.00 61.98 63.54 3dmd s VAL 62 Cb 0.00 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 3dmd s VAL 62 CO 0.00 0.08 1.33 0.00 0.00 0.00 0.00 175.10 176.52 3dmd n ALA 63 N 4.40 1.53 -0.20 5.51 0.00 -1.26 -4.38 120.51 126.11 3dmd n ALA 63 Ca 0.08 0.17 -0.05 0.00 0.00 0.00 0.00 53.44 53.64 3dmd n ALA 63 Cb 0.48 -2.33 0.05 0.00 0.00 0.00 0.00 19.45 17.65 3dmd n ALA 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3dmd h LEU 64 N 1.64 0.56 -1.00 0.00 5.85 -1.98 0.28 115.31 120.67 3dmd h LEU 64 Ca -0.50 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.38 3dmd h LEU 64 Cb 1.30 -0.11 -0.10 0.00 0.37 0.00 0.00 40.66 42.12 3dmd h LEU 64 CO 0.58 0.39 0.62 -0.08 -0.34 0.00 0.00 178.44 179.61 3dmd h GLU 65 N 0.69 0.86 -0.02 1.25 4.81 -1.99 0.84 114.58 121.02 3dmd h GLU 65 Ca 0.23 -0.05 -0.23 0.00 -0.13 0.00 0.00 59.36 59.18 3dmd h GLU 65 Cb 0.03 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.22 3dmd h GLU 65 CO -0.10 0.57 -0.93 0.28 -0.73 0.00 0.00 179.01 178.10 3dmd h VAL 66 N 0.89 1.37 -0.66 0.32 2.07 -1.59 -2.02 116.25 116.62 3dmd h VAL 66 Ca 0.53 -2.35 -0.01 0.00 0.82 0.00 0.00 66.70 65.70 3dmd h VAL 66 Cb 0.68 2.35 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 3dmd h VAL 66 CO -0.32 0.71 0.37 0.58 0.02 0.00 0.00 177.57 178.92 3dmd h VAL 67 N 0.29 1.20 -0.02 2.57 2.07 0.33 -1.14 116.25 121.55 3dmd h VAL 67 Ca -0.08 -0.48 -0.22 0.00 0.82 0.00 0.00 66.70 66.73 3dmd h VAL 67 Cb 1.56 0.30 0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3dmd h VAL 67 CO 0.17 0.22 -0.85 0.44 0.02 0.00 0.00 177.57 177.56 3dmd h ASP 68 N 0.91 0.78 -0.64 0.57 3.32 -0.79 -1.41 116.42 119.16 3dmd h ASP 68 Ca 0.23 -0.73 -0.05 0.00 0.02 0.00 0.00 57.03 56.50 3dmd h ASP 68 Cb 0.01 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 3dmd h ASP 68 CO -0.04 1.41 0.23 0.00 -1.72 0.00 0.00 179.24 179.12 3dmd h ALA 69 N 0.39 1.16 -0.36 3.45 0.00 -1.19 -1.24 119.26 121.46 3dmd h ALA 69 Ca -0.10 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 3dmd h ALA 69 Cb 1.53 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3dmd h ALA 69 CO 0.17 0.59 0.02 -0.07 0.00 0.00 0.00 179.25 179.96 3dmd h LEU 70 N 0.97 0.61 -0.17 0.00 3.38 -1.17 -1.40 115.31 117.53 3dmd h LEU 70 Ca 0.22 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.95 3dmd h LEU 70 Cb 0.24 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 3dmd h LEU 70 CO -0.01 0.75 -0.23 0.03 0.09 0.00 0.00 178.44 179.07 3dmd h ARG 71 N 0.45 -0.26 -0.28 1.13 3.08 -0.88 -0.73 114.38 116.88 3dmd h ARG 71 Ca 0.11 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.21 3dmd h ARG 71 Cb 0.43 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 3dmd h ARG 71 CO 0.01 -0.18 0.06 1.49 -1.07 0.00 0.00 179.97 180.28 3dmd h GLU 72 N -0.27 0.16 -0.00 0.04 4.81 -1.06 -0.38 114.58 117.87 3dmd h GLU 72 Ca 0.11 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3dmd h GLU 72 Cb 0.44 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 3dmd h GLU 72 CO -0.33 0.10 0.00 0.87 -0.73 0.00 0.00 179.01 178.93 3dmd h LYS 73 N 0.16 0.01 -0.51 1.92 1.57 -1.09 -0.95 116.57 117.68 3dmd h LYS 73 Ca 0.13 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.96 3dmd h LYS 73 Cb 0.14 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 3dmd h LYS 73 CO -0.17 0.27 0.23 0.82 -0.57 0.00 0.00 179.45 180.02 3dmd h ILE 74 N -0.26 0.91 -0.55 1.86 2.04 -0.99 -0.33 117.51 120.19 3dmd h ILE 74 Ca 0.00 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 3dmd h ILE 74 Cb 0.26 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3dmd h ILE 74 CO 0.00 0.08 0.31 0.50 0.00 0.00 0.00 178.15 179.04 3dmd h LYS 75 N 0.44 0.76 0.00 2.37 3.64 -0.98 -1.19 116.57 121.62 3dmd h LYS 75 Ca 0.23 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.41 3dmd h LYS 75 Cb 0.19 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3dmd h LYS 75 CO -0.19 0.58 -0.54 -0.56 -2.27 0.00 0.00 179.45 176.47 3dmd h GLN 76 N 0.74 0.00 0.01 1.90 -0.00 -0.60 -1.60 115.11 115.56 3dmd h GLN 76 Ca 0.19 0.00 -0.20 0.00 -0.00 0.00 0.00 58.65 58.65 3dmd h GLN 76 Cb 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.50 3dmd h GLN 76 CO -0.03 0.54 -0.89 0.87 -0.00 0.00 0.00 178.83 179.32 3dmd h LYS 77 N 0.00 0.17 0.01 0.06 1.57 -0.86 -3.40 116.57 114.11 3dmd h LYS 77 Ca -0.01 -0.19 -0.40 0.00 -1.87 0.00 0.00 60.65 58.18 3dmd h LYS 77 Cb 1.07 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.38 3dmd h LYS 77 CO 0.07 0.95 -2.28 1.28 -0.57 0.00 0.00 179.45 178.90 3dmd n LEU 78 N -3.63 2.25 -4.69 2.94 4.77 -0.47 -4.63 117.00 113.54 3dmd n LEU 78 Ca -0.03 0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.75 3dmd n LEU 78 Cb 0.82 -0.89 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 3dmd n LEU 78 CO 0.48 0.64 1.26 -0.69 -1.33 0.00 0.00 177.39 177.74 3dmd s VAL 79 N -2.49 3.21 0.00 4.08 1.01 -0.61 -1.11 120.40 124.48 3dmd s VAL 79 Ca -0.35 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.30 3dmd s VAL 79 Cb 0.11 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 33.06 3dmd s VAL 79 CO 0.56 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3dmd n GLY 80 N 3.87 1.87 3.70 4.51 0.00 0.63 -4.91 105.19 114.85 3dmd n GLY 80 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3dmd n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dmd s LYS 81 N -0.32 4.22 -0.19 1.61 2.47 -0.26 -4.77 119.74 122.50 3dmd s LYS 81 Ca 0.00 2.28 -0.09 0.00 -1.56 0.00 0.00 55.97 56.61 3dmd s LYS 81 Cb 0.00 -3.45 -0.05 0.00 -1.46 0.00 0.00 37.83 32.88 3dmd s LYS 81 CO 0.00 -0.66 0.10 0.15 0.16 0.00 0.00 175.35 175.10 3dmd s LYS 82 N 2.08 4.07 0.04 4.03 1.02 -1.26 -0.89 119.74 128.84 3dmd s LYS 82 Ca 0.71 -0.28 0.07 0.00 0.02 0.00 0.00 55.97 56.49 3dmd s LYS 82 Cb -0.40 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 33.58 3dmd s LYS 82 CO 0.31 0.30 -0.19 0.14 -0.92 0.00 0.00 175.35 174.99 3dmd s VAL 83 N 0.33 1.55 0.39 3.17 -7.23 0.33 -4.93 120.40 114.01 3dmd s VAL 83 Ca 0.06 -1.15 -0.27 0.00 -1.81 0.00 0.00 61.98 58.81 3dmd s VAL 83 Cb -0.12 -1.35 -0.10 0.00 0.56 0.00 0.00 36.38 35.37 3dmd s VAL 83 CO -0.01 0.17 1.39 -0.13 -0.31 0.00 0.00 175.10 176.22 3dmd s ARG 84 N -1.15 4.05 0.63 4.82 0.52 -1.26 -0.73 118.95 125.83 3dmd s ARG 84 Ca 0.06 2.37 -0.17 0.00 -0.52 0.00 0.00 55.73 57.47 3dmd s ARG 84 Cb -0.09 -2.88 -0.02 0.00 0.52 0.00 0.00 34.95 32.49 3dmd s ARG 84 CO 0.02 -0.50 1.16 0.96 0.02 0.00 0.00 175.30 176.96 3dmd s ILE 85 N -1.17 2.84 0.00 1.52 -0.00 -1.23 -2.87 121.20 120.29 3dmd s ILE 85 Ca 0.54 0.46 0.00 0.00 -0.00 0.00 0.00 60.65 61.66 3dmd s ILE 85 Cb -0.43 -3.08 0.00 0.00 -0.00 0.00 0.00 42.46 38.96 3dmd s ILE 85 CO 0.56 -0.17 0.00 0.61 -0.00 0.00 0.00 174.94 175.94 3dmd n GLY 86 N 0.14 3.26 3.82 6.27 0.00 -1.26 -5.04 105.19 112.37 3dmd n GLY 86 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 3dmd n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dmd s THR 87 N -2.14 3.43 -0.57 2.61 -4.23 -1.14 -4.98 115.64 108.63 3dmd s THR 87 Ca 0.00 0.46 -0.25 0.00 -1.18 0.00 0.00 61.69 60.73 3dmd s THR 87 Cb 0.00 -3.23 0.04 0.00 1.34 0.00 0.00 72.50 70.65 3dmd s THR 87 CO 0.00 -0.61 0.99 -0.62 -0.54 0.00 0.00 174.62 173.84 3dmd s ASP 88 N -3.90 6.34 0.09 3.99 -1.08 -1.26 -4.91 116.67 115.94 3dmd s ASP 88 Ca 0.60 -0.32 -0.20 0.00 -0.52 0.00 0.00 52.55 52.11 3dmd s ASP 88 Cb -0.14 -2.46 -0.08 0.00 -1.46 0.00 0.00 42.92 38.78 3dmd s ASP 88 CO 0.54 -1.29 1.60 0.11 0.52 0.00 0.00 175.17 176.65 3dmd h LYS 89 N 9.38 0.33 -0.95 4.34 1.79 -1.95 -2.72 116.57 126.79 3dmd h LYS 89 Ca -0.26 -0.07 0.21 0.00 -2.18 0.00 0.00 60.65 58.35 3dmd h LYS 89 Cb 1.07 -0.05 -0.11 0.00 -1.58 0.00 0.00 32.23 31.56 3dmd h LYS 89 CO 1.11 0.42 0.52 0.78 -1.08 0.00 0.00 179.45 181.21 3dmd h GLY 90 N 0.18 1.70 1.54 3.86 0.00 -1.91 0.31 103.07 108.75 3dmd h GLY 90 Ca 0.07 -0.28 -0.24 0.00 0.00 0.00 0.00 47.33 46.88 3dmd h GLY 90 CO -0.00 -0.17 -1.02 0.50 0.00 0.00 0.00 176.54 175.85 3dmd h LYS 91 N 0.59 0.40 -0.36 4.80 1.57 -1.92 -1.72 116.57 119.93 3dmd h LYS 91 Ca 0.58 -0.47 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 3dmd h LYS 91 Cb 1.00 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 3dmd h LYS 91 CO -0.45 1.15 -0.02 0.82 -0.57 0.00 0.00 179.45 180.38 3dmd h ILE 92 N 0.20 1.26 -0.21 1.86 2.04 -1.03 -1.44 117.51 120.20 3dmd h ILE 92 Ca -0.10 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.73 3dmd h ILE 92 Cb 1.68 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 3dmd h ILE 92 CO 0.18 0.34 0.11 0.40 0.00 0.00 0.00 178.15 179.17 3dmd h ILE 93 N 0.47 1.12 -0.44 -0.67 2.04 -0.98 -2.54 117.51 116.52 3dmd h ILE 93 Ca 0.10 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.62 3dmd h ILE 93 Cb 0.49 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3dmd h ILE 93 CO 0.02 0.12 0.29 -0.08 0.00 0.00 0.00 178.15 178.50 3dmd h GLU 94 N 0.21 0.55 -0.41 2.37 4.81 -1.26 -1.50 114.58 119.35 3dmd h GLU 94 Ca 0.07 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 3dmd h GLU 94 Cb 0.10 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3dmd h GLU 94 CO -0.01 0.36 -0.06 1.49 -0.73 0.00 0.00 179.01 180.06 3dmd h GLU 95 N 0.56 0.77 0.07 1.92 4.57 -0.97 0.12 114.58 121.63 3dmd h GLU 95 Ca 0.16 -0.28 0.02 0.00 -1.18 0.00 0.00 59.36 58.09 3dmd h GLU 95 Cb -0.03 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.46 3dmd h GLU 95 CO -0.04 0.88 -0.32 0.00 -1.18 0.00 0.00 179.01 178.35 3dmd h ALA 96 N 0.87 -0.52 -0.78 2.92 0.00 -1.01 0.36 119.26 121.09 3dmd h ALA 96 Ca 0.11 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.06 3dmd h ALA 96 Cb 0.57 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 3dmd h ALA 96 CO 0.03 -0.85 0.45 0.28 0.00 0.00 0.00 179.25 179.16 3dmd h VAL 97 N -0.52 0.95 -0.70 0.00 2.07 -1.05 0.19 116.25 117.19 3dmd h VAL 97 Ca 0.04 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 3dmd h VAL 97 Cb 0.57 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3dmd h VAL 97 CO -0.22 0.14 0.27 0.50 0.02 0.00 0.00 177.57 178.28 3dmd h LYS 98 N 0.79 1.05 -0.47 1.57 3.64 -0.46 -0.56 116.57 122.11 3dmd h LYS 98 Ca 0.36 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.51 3dmd h LYS 98 Cb 0.28 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3dmd h LYS 98 CO -0.22 0.86 0.11 0.93 -2.27 0.00 0.00 179.45 178.86 3dmd h GLU 99 N 1.02 0.76 -0.19 1.90 5.08 0.56 -0.40 114.58 123.30 3dmd h GLU 99 Ca 0.23 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3dmd h GLU 99 Cb 0.22 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3dmd h GLU 99 CO -0.02 0.75 0.07 0.00 -1.00 0.00 0.00 179.01 178.81 3dmd h ALA 100 N 0.98 0.21 -0.59 3.43 0.00 -0.52 -0.38 119.26 122.39 3dmd h ALA 100 Ca 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3dmd h ALA 100 Cb 0.34 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3dmd h ALA 100 CO 0.00 -0.36 0.35 0.28 0.00 0.00 0.00 179.25 179.53 3dmd h VAL 101 N 0.17 1.18 -0.92 0.00 2.07 -0.98 -1.86 116.25 115.91 3dmd h VAL 101 Ca 0.08 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3dmd h VAL 101 Cb 0.04 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 3dmd h VAL 101 CO -0.08 0.19 0.54 -1.28 0.02 0.00 0.00 177.57 176.96 3dmd h SER 102 N 0.80 1.12 0.02 0.57 0.87 -0.68 -2.14 113.55 114.10 3dmd h SER 102 Ca 0.21 -0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.61 3dmd h SER 102 Cb 0.00 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.66 3dmd h SER 102 CO -0.04 0.87 -0.25 -0.33 -0.53 0.00 0.00 176.83 176.55 3dmd h GLU 103 N 1.27 0.38 -0.72 2.24 5.08 -0.64 -2.70 114.58 119.49 3dmd h GLU 103 Ca 0.33 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3dmd h GLU 103 Cb -0.03 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 3dmd h GLU 103 CO -0.06 0.61 0.45 0.82 -1.00 0.00 0.00 179.01 179.83 3dmd h ILE 104 N 0.34 1.20 0.00 3.13 1.08 -0.70 -1.15 117.51 121.41 3dmd h ILE 104 Ca 0.05 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 64.11 3dmd h ILE 104 Cb 0.62 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.54 3dmd h ILE 104 CO 0.04 0.20 0.00 0.18 -0.69 0.00 0.00 178.15 177.89 3dmd n LEU 105 N -4.40 0.00 -4.64 1.44 4.77 -1.02 -4.17 117.00 108.97 3dmd n LEU 105 Ca 0.08 0.42 -0.42 0.00 -0.03 0.00 0.00 56.01 56.06 3dmd n LEU 105 Cb 0.06 -0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 40.69 3dmd n LEU 105 CO 0.37 -0.08 0.74 -1.61 -1.33 0.00 0.00 177.39 175.47 3dmd s GLU 106 N -2.85 4.15 0.21 3.23 2.02 -0.44 -4.92 118.70 120.11 3dmd s GLU 106 Ca 0.15 1.00 0.04 0.00 0.02 0.00 0.00 54.97 56.19 3dmd s GLU 106 Cb 0.16 -3.67 -0.03 0.00 0.10 0.00 0.00 34.13 30.69 3dmd s GLU 106 CO 0.40 -0.61 0.33 0.95 0.02 0.00 0.00 175.26 176.36 3dmd s THR 107 N 3.04 5.28 -2.00 3.63 -4.23 -1.26 -4.95 115.64 115.14 3dmd s THR 107 Ca 0.38 -0.89 0.02 0.00 -1.18 0.00 0.00 61.69 60.02 3dmd s THR 107 Cb -0.15 -3.82 0.06 0.00 1.34 0.00 0.00 72.50 69.93 3dmd s THR 107 CO 0.09 -0.25 0.41 -1.54 -0.54 0.00 0.00 174.62 172.78 3dmd n SER 108 N -1.12 0.00 -3.15 3.99 3.41 -1.26 -4.24 113.62 111.24 3dmd n SER 108 Ca -0.08 -0.36 0.06 0.00 -0.26 0.00 0.00 58.87 58.22 3dmd n SER 108 Cb 0.56 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.50 3dmd n SER 108 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3dmd s ARG 109 N -2.00 0.01 0.78 4.33 3.00 -1.26 -5.15 118.95 118.65 3dmd s ARG 109 Ca 0.03 0.01 -0.11 0.00 0.00 0.00 0.00 55.73 55.66 3dmd s ARG 109 Cb 0.01 0.00 0.06 0.00 0.00 0.00 0.00 34.95 35.03 3dmd s ARG 109 CO 0.02 -0.01 1.11 0.50 0.00 0.00 0.00 175.30 176.93 3dmd s ARG 110 N 3.00 2.13 -0.07 3.54 3.52 -1.26 -4.53 118.95 125.28 3dmd s ARG 110 Ca 0.01 1.29 -0.01 0.00 -0.13 0.00 0.00 55.73 56.89 3dmd s ARG 110 Cb -0.06 -1.87 0.03 0.00 -1.56 0.00 0.00 34.95 31.49 3dmd s ARG 110 CO -0.11 -1.76 -0.00 0.42 -0.81 0.00 0.00 175.30 173.04 3dmd s ILE 111 N -2.74 0.39 -0.55 4.11 1.01 -1.26 -5.09 121.20 117.06 3dmd s ILE 111 Ca 0.63 0.09 -0.17 0.00 0.00 0.00 0.00 60.65 61.21 3dmd s ILE 111 Cb -0.19 -0.53 0.12 0.00 0.01 0.00 0.00 42.46 41.87 3dmd s ILE 111 CO 0.54 0.25 0.57 -0.62 0.00 0.00 0.00 174.94 175.68 3dmd s ASP 112 N 1.81 6.19 0.11 3.58 2.15 -1.26 -4.96 116.67 124.29 3dmd s ASP 112 Ca 0.03 -1.62 -0.27 0.00 0.43 0.00 0.00 52.55 51.12 3dmd s ASP 112 Cb -0.13 -2.24 -0.09 0.00 -0.30 0.00 0.00 42.92 40.16 3dmd s ASP 112 CO -0.05 -0.94 1.65 0.25 -0.17 0.00 0.00 175.17 175.91 3dmd h LEU 113 N 9.27 -0.68 -0.50 -1.34 5.85 -1.99 -0.18 115.31 125.75 3dmd h LEU 113 Ca -0.30 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.56 3dmd h LEU 113 Cb 1.10 0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.33 3dmd h LEU 113 CO 1.05 -0.33 0.19 0.40 -0.34 0.00 0.00 178.44 179.41 3dmd h ILE 114 N -0.45 0.85 -0.81 4.05 2.04 -2.00 -0.34 117.51 120.86 3dmd h ILE 114 Ca 0.03 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 3dmd h ILE 114 Cb 0.47 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 3dmd h ILE 114 CO -0.13 0.07 0.49 -0.08 0.00 0.00 0.00 178.15 178.50 3dmd h GLU 115 N 0.38 1.09 -0.72 2.37 4.57 -1.85 -1.22 114.58 119.20 3dmd h GLU 115 Ca 0.23 -0.10 -0.06 0.00 -1.18 0.00 0.00 59.36 58.26 3dmd h GLU 115 Cb 0.23 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 3dmd h GLU 115 CO -0.23 0.77 0.22 0.93 -1.18 0.00 0.00 179.01 179.52 3dmd h GLU 116 N 1.11 1.12 0.25 1.92 4.39 -0.10 -1.78 114.58 121.49 3dmd h GLU 116 Ca 0.29 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 3dmd h GLU 116 Cb -0.05 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.44 3dmd h GLU 116 CO -0.06 0.95 -0.12 0.82 -1.16 0.00 0.00 179.01 179.45 3dmd h ILE 117 N 1.08 0.80 -0.31 3.13 2.04 -0.67 -2.85 117.51 120.73 3dmd h ILE 117 Ca 0.23 -0.55 0.06 0.00 1.00 0.00 0.00 64.86 65.60 3dmd h ILE 117 Cb 0.30 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 3dmd h ILE 117 CO -0.01 0.12 -0.04 0.03 0.00 0.00 0.00 178.15 178.25 3dmd h ARG 118 N -0.64 0.04 0.00 2.37 3.08 -1.17 -1.66 114.38 116.40 3dmd h ARG 118 Ca -0.03 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3dmd h ARG 118 Cb 0.45 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3dmd h ARG 118 CO 0.06 0.03 0.00 0.36 -1.07 0.00 0.00 179.97 179.34 3dmd n LYS 119 N -5.21 0.59 -4.08 0.04 2.85 -0.68 -4.80 118.16 106.88 3dmd n LYS 119 Ca 0.00 0.03 -0.31 0.00 -1.05 0.00 0.00 58.31 56.97 3dmd n LYS 119 Cb 0.17 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 32.98 3dmd n LYS 119 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3dmd s ALA 120 N -2.19 3.57 -0.12 0.58 0.00 -0.62 -5.07 121.76 117.91 3dmd s ALA 120 Ca 0.30 -0.96 -0.29 0.00 0.00 0.00 0.00 51.96 51.01 3dmd s ALA 120 Cb 0.16 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 3dmd s ALA 120 CO 0.29 0.73 1.53 -2.00 0.00 0.00 0.00 175.76 176.31 3dmd s GLU 121 N -2.14 4.11 0.50 0.00 2.12 -1.26 -4.88 118.70 117.14 3dmd s GLU 121 Ca 0.27 1.92 -0.22 0.00 0.36 0.00 0.00 54.97 57.30 3dmd s GLU 121 Cb -0.12 -3.93 -0.06 0.00 0.26 0.00 0.00 34.13 30.27 3dmd s GLU 121 CO 0.19 -0.91 1.20 0.15 -0.54 0.00 0.00 175.26 175.36 3dmd s LYS 122 N 4.02 3.53 0.22 4.30 -0.14 -1.26 -4.26 119.74 126.16 3dmd s LYS 122 Ca 0.67 1.86 -0.12 0.00 -1.36 0.00 0.00 55.97 57.02 3dmd s LYS 122 Cb -0.28 -2.30 -0.07 0.00 -1.68 0.00 0.00 37.83 33.49 3dmd s LYS 122 CO 0.25 -0.76 0.59 -2.14 -0.76 0.00 0.00 175.35 172.53 3dmd s PRO 123 N -2.84 3.92 -0.19 -1.68 0.02 -1.26 -4.94 135.00 128.02 3dmd s PRO 123 Ca 0.67 0.44 -0.29 0.00 0.02 0.00 0.00 61.00 61.84 3dmd s PRO 123 Cb -0.31 -2.71 0.00 0.00 0.02 0.00 0.00 34.50 31.50 3dmd s PRO 123 CO 0.36 0.35 1.06 -0.47 -0.33 0.00 0.00 177.00 177.97 3dmd s TYR 124 N -1.72 3.33 -0.25 6.54 5.04 0.11 -4.91 117.35 125.50 3dmd s TYR 124 Ca 0.45 1.45 -0.07 0.00 -2.44 0.00 0.00 57.07 56.46 3dmd s TYR 124 Cb -0.12 -3.28 -0.03 0.00 0.35 0.00 0.00 41.96 38.88 3dmd s TYR 124 CO 0.20 -0.56 0.07 0.08 -1.34 0.00 0.00 175.55 173.99 3dmd s VAL 125 N 2.89 4.28 -0.18 3.14 1.01 -1.26 -1.63 120.40 128.64 3dmd s VAL 125 Ca 0.47 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.22 3dmd s VAL 125 Cb -0.17 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 3dmd s VAL 125 CO 0.10 0.34 -0.03 -0.63 0.00 0.00 0.00 175.10 174.88 3dmd s ILE 126 N 1.61 3.78 -0.18 2.22 1.01 -0.12 0.04 121.20 129.55 3dmd s ILE 126 Ca 0.06 -0.38 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 3dmd s ILE 126 Cb -0.15 -2.68 -0.02 0.00 0.01 0.00 0.00 42.46 39.62 3dmd s ILE 126 CO 0.03 0.46 -0.04 -0.32 0.00 0.00 0.00 174.94 175.08 3dmd s MET 127 N 0.78 3.58 -0.10 2.79 -2.45 -0.26 -0.62 119.30 123.02 3dmd s MET 127 Ca -0.01 -0.55 -0.09 0.00 -1.25 0.00 0.00 55.69 53.78 3dmd s MET 127 Cb -0.14 -2.95 -0.04 0.00 1.25 0.00 0.00 34.83 32.94 3dmd s MET 127 CO 0.02 0.09 0.21 -0.06 1.05 0.00 0.00 175.02 176.33 3dmd s PHE 128 N 0.75 3.60 0.11 4.11 0.08 -1.09 -0.54 117.98 125.00 3dmd s PHE 128 Ca -0.02 0.62 0.07 0.00 0.12 0.00 0.00 56.93 57.73 3dmd s PHE 128 Cb -0.14 -2.06 -0.04 0.00 -0.57 0.00 0.00 43.02 40.21 3dmd s PHE 128 CO 0.02 0.65 -0.18 0.14 -0.10 0.00 0.00 175.22 175.75 3dmd s VAL 129 N -0.84 1.58 0.00 -0.44 -7.23 -0.18 -4.28 120.40 109.02 3dmd s VAL 129 Ca 0.16 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 3dmd s VAL 129 Cb -0.13 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 35.27 3dmd s VAL 129 CO 0.06 -0.19 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 3dmd n GLY 130 N 0.86 3.11 3.87 2.32 0.00 -1.26 -0.95 105.19 113.14 3dmd n GLY 130 Ca -0.18 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 3dmd n GLY 130 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dmd s PHE 131 N -2.00 3.49 0.64 1.61 0.08 -1.26 -4.15 117.98 116.38 3dmd s PHE 131 Ca 0.00 1.17 -0.18 0.00 0.12 0.00 0.00 56.93 58.04 3dmd s PHE 131 Cb 0.00 -2.56 -0.02 0.00 -0.57 0.00 0.00 43.02 39.87 3dmd s PHE 131 CO 0.00 -0.25 1.15 0.09 -0.10 0.00 0.00 175.22 176.12 3dmd n ASN 132 N -1.58 1.48 0.00 1.36 3.02 -0.57 -2.57 115.26 116.40 3dmd n ASN 132 Ca 0.04 0.80 0.00 0.00 -0.03 0.00 0.00 54.58 55.39 3dmd n ASN 132 Cb 0.54 -1.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.22 3dmd n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dmd n GLY 133 N 1.07 0.89 0.12 7.41 0.00 -1.26 -4.89 105.19 108.53 3dmd n GLY 133 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.31 3dmd n GLY 133 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dmd n SER 134 N 0.00 0.54 0.00 1.61 3.41 -1.06 -4.80 113.62 113.32 3dmd n SER 134 Ca 0.00 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 58.07 3dmd n SER 134 Cb 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 3dmd n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dmd n GLY 135 N 1.32 0.60 0.15 5.00 0.00 -1.26 -3.93 105.19 107.08 3dmd n GLY 135 Ca 0.13 -0.56 -0.06 0.00 0.00 0.00 0.00 46.02 45.53 3dmd n GLY 135 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3dmd h LYS 136 N 0.48 0.21 -0.23 1.61 3.64 -1.91 -0.95 116.57 119.42 3dmd h LYS 136 Ca 0.00 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3dmd h LYS 136 Cb 0.00 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3dmd h LYS 136 CO 0.00 0.14 0.04 1.15 -2.27 0.00 0.00 179.45 178.51 3dmd h THR 137 N 0.22 1.22 -0.58 1.00 2.02 -1.96 -1.45 112.91 113.38 3dmd h THR 137 Ca 0.16 -0.74 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 3dmd h THR 137 Cb 0.16 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 3dmd h THR 137 CO -0.19 0.23 0.24 0.74 0.37 0.00 0.00 175.52 176.91 3dmd h THR 138 N 0.20 1.22 -0.71 3.16 2.02 -1.97 -2.97 112.91 113.87 3dmd h THR 138 Ca 0.07 -0.69 0.01 0.00 0.77 0.00 0.00 66.41 66.58 3dmd h THR 138 Cb 0.31 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 3dmd h THR 138 CO 0.00 0.27 0.47 0.74 0.37 0.00 0.00 175.52 177.37 3dmd h THR 139 N 0.80 1.16 -0.49 3.16 2.02 -0.85 -1.54 112.91 117.18 3dmd h THR 139 Ca 0.20 -0.32 -0.12 0.00 0.77 0.00 0.00 66.41 66.94 3dmd h THR 139 Cb 0.19 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 3dmd h THR 139 CO -0.02 0.17 -0.15 0.40 0.37 0.00 0.00 175.52 176.29 3dmd h ILE 140 N 0.93 1.27 -0.21 3.11 2.04 -1.11 -0.04 117.51 123.50 3dmd h ILE 140 Ca 0.26 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 3dmd h ILE 140 Cb -0.07 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3dmd h ILE 140 CO -0.06 0.45 0.11 0.00 0.00 0.00 0.00 178.15 178.64 3dmd h ALA 141 N 0.98 0.27 -0.76 1.87 0.00 -1.27 -0.07 119.26 120.29 3dmd h ALA 141 Ca 0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3dmd h ALA 141 Cb 0.70 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3dmd h ALA 141 CO 0.05 -0.18 0.35 0.87 0.00 0.00 0.00 179.25 180.35 3dmd h LYS 142 N 0.22 1.10 -0.35 0.00 1.57 -1.14 -0.82 116.57 117.14 3dmd h LYS 142 Ca 0.07 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 3dmd h LYS 142 Cb 0.11 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3dmd h LYS 142 CO -0.01 0.86 -0.11 1.25 -0.57 0.00 0.00 179.45 180.87 3dmd h LEU 143 N 1.07 0.59 -0.45 2.94 5.85 -0.80 -1.29 115.31 123.22 3dmd h LEU 143 Ca 0.26 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 3dmd h LEU 143 Cb 0.14 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3dmd h LEU 143 CO -0.03 0.73 0.18 0.00 -0.34 0.00 0.00 178.44 178.99 3dmd h ALA 144 N 1.33 0.59 -0.26 1.25 0.00 -0.42 -0.72 119.26 121.02 3dmd h ALA 144 Ca 0.10 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3dmd h ALA 144 Cb 0.52 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3dmd h ALA 144 CO 0.03 0.19 0.11 -0.97 0.00 0.00 0.00 179.25 178.61 3dmd h ASN 145 N 0.59 0.15 -0.49 0.00 -1.24 -0.79 -0.84 115.58 112.95 3dmd h ASN 145 Ca 0.15 0.02 0.05 0.00 0.71 0.00 0.00 56.30 57.23 3dmd h ASN 145 Cb 0.19 -0.01 -0.05 0.00 0.73 0.00 0.00 38.32 39.19 3dmd h ASN 145 CO -0.01 0.12 0.23 -0.25 -1.29 0.00 0.00 177.43 176.23 3dmd h TRP 146 N 0.24 0.42 -0.61 0.67 7.01 -1.07 -1.16 115.95 121.45 3dmd h TRP 146 Ca 0.11 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.06 3dmd h TRP 146 Cb 0.05 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 26.97 3dmd h TRP 146 CO -0.11 0.19 0.13 -0.07 -2.79 0.00 0.00 178.44 175.79 3dmd h LEU 147 N 0.45 0.94 -0.70 0.65 3.38 -0.76 -2.60 115.31 116.68 3dmd h LEU 147 Ca 0.22 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3dmd h LEU 147 Cb 0.15 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3dmd h LEU 147 CO -0.17 0.95 0.38 0.11 0.09 0.00 0.00 178.44 179.79 3dmd h LYS 148 N 0.90 0.98 0.00 1.13 1.57 -0.82 -2.17 116.57 118.16 3dmd h LYS 148 Ca 0.19 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3dmd h LYS 148 Cb 0.39 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3dmd h LYS 148 CO 0.01 0.74 0.00 -0.91 -0.57 0.00 0.00 179.45 178.72 3dmd h ASN 149 N 0.96 0.00 -0.61 0.86 2.35 -0.85 0.41 115.58 118.70 3dmd h ASN 149 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3dmd h ASN 149 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3dmd h ASN 149 CO -0.04 0.00 0.00 1.41 -1.65 0.00 0.00 177.43 177.15 3dmd n HIS 150 N -2.55 1.43 -1.97 1.19 8.25 -0.87 -4.97 115.22 115.73 3dmd n HIS 150 Ca -0.01 -0.63 0.00 0.00 -0.26 0.00 0.00 57.72 56.83 3dmd n HIS 150 Cb 0.13 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 30.99 3dmd n HIS 150 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dmd n GLY 151 N 0.98 0.42 3.74 -1.41 0.00 0.14 -5.06 105.19 103.99 3dmd n GLY 151 Ca 0.25 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 3dmd n GLY 151 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dmd s PHE 152 N -2.02 3.20 0.29 1.61 0.08 -0.90 -5.02 117.98 115.22 3dmd s PHE 152 Ca 0.00 0.17 -0.23 0.00 0.12 0.00 0.00 56.93 56.99 3dmd s PHE 152 Cb 0.00 -1.73 -0.09 0.00 -0.57 0.00 0.00 43.02 40.63 3dmd s PHE 152 CO 0.00 0.51 0.86 -1.54 -0.10 0.00 0.00 175.22 174.95 3dmd s SER 153 N -1.52 7.20 0.01 1.36 1.04 -1.26 -3.95 113.70 116.57 3dmd s SER 153 Ca 0.20 1.66 0.01 0.00 0.48 0.00 0.00 55.95 58.30 3dmd s SER 153 Cb -0.12 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.48 3dmd s SER 153 CO 0.10 -0.06 -0.04 -0.69 0.98 0.00 0.00 173.24 173.54 3dmd s VAL 154 N -1.63 0.28 0.03 5.02 1.01 -1.26 -1.27 120.40 122.59 3dmd s VAL 154 Ca 0.49 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.12 3dmd s VAL 154 Cb -0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 3dmd s VAL 154 CO 0.22 -0.06 -0.08 0.54 0.00 0.00 0.00 175.10 175.72 3dmd s VAL 155 N -0.43 0.58 -0.12 2.92 0.11 0.22 -4.27 120.40 119.41 3dmd s VAL 155 Ca -0.02 -0.89 0.01 0.00 -2.93 0.00 0.00 61.98 58.14 3dmd s VAL 155 Cb -0.04 -0.60 -0.01 0.00 -1.53 0.00 0.00 36.38 34.20 3dmd s VAL 155 CO -0.00 -0.23 -0.14 -0.63 -3.33 0.00 0.00 175.10 170.76 3dmd s ILE 156 N -1.05 2.93 -0.25 7.04 1.01 -0.64 -0.70 121.20 129.53 3dmd s ILE 156 Ca -0.06 -0.71 -0.17 0.00 0.00 0.00 0.00 60.65 59.72 3dmd s ILE 156 Cb -0.08 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 3dmd s ILE 156 CO 0.00 0.53 0.45 0.00 0.00 0.00 0.00 174.94 175.92 3dmd s ALA 157 N 0.28 3.57 -1.38 9.38 0.00 0.23 -0.24 121.76 133.61 3dmd s ALA 157 Ca -0.11 -0.66 -0.13 0.00 0.00 0.00 0.00 51.96 51.06 3dmd s ALA 157 Cb -0.16 -2.78 0.08 0.00 0.00 0.00 0.00 23.12 20.26 3dmd s ALA 157 CO 0.06 -0.63 2.03 0.00 0.00 0.00 0.00 175.76 177.21 3dmd n ALA 158 N 5.27 5.11 1.61 0.00 0.00 0.14 -1.39 120.51 131.25 3dmd n ALA 158 Ca -0.06 -4.00 0.12 0.00 0.00 0.00 0.00 53.44 49.50 3dmd n ALA 158 Cb 0.50 -3.39 0.56 0.00 0.00 0.00 0.00 19.45 17.12 3dmd n ALA 158 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3dmd n SER 159 N 5.90 0.96 -3.45 0.00 7.64 -0.06 -4.19 113.62 120.43 3dmd n SER 159 Ca 0.48 -1.46 -0.40 0.00 1.01 0.00 0.00 58.87 58.50 3dmd n SER 159 Cb 0.40 -0.03 -0.01 0.00 -1.01 0.00 0.00 64.21 63.55 3dmd n SER 159 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3dmd n ASP 160 N -0.19 7.91 0.14 6.43 2.03 -0.66 -3.99 116.55 128.22 3dmd n ASP 160 Ca 0.18 -2.89 0.12 0.00 0.52 0.00 0.00 54.79 52.72 3dmd n ASP 160 Cb 0.24 -1.47 0.53 0.00 -0.72 0.00 0.00 41.12 39.70 3dmd n ASP 160 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3dmd n THR 161 N 2.80 0.92 -0.56 5.18 -2.24 -1.26 -2.52 114.28 116.60 3dmd n THR 161 Ca 0.67 0.44 0.09 0.00 -2.27 0.00 0.00 64.05 62.99 3dmd n THR 161 Cb 0.26 -1.40 0.32 0.00 -2.10 0.00 0.00 70.33 67.40 3dmd n THR 161 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3dmd n PHE 162 N -2.25 1.24 -3.82 4.78 3.72 -1.26 -0.43 117.46 119.44 3dmd n PHE 162 Ca 0.01 -0.60 -0.29 0.00 -0.05 0.00 0.00 57.45 56.52 3dmd n PHE 162 Cb 0.15 -0.18 -0.13 0.00 -0.94 0.00 0.00 39.48 38.38 3dmd n PHE 162 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3dmd s ARG 163 N -1.68 1.88 0.43 -1.08 0.52 -1.05 -4.94 118.95 113.03 3dmd s ARG 163 Ca 0.47 -2.68 0.09 0.00 -0.52 0.00 0.00 55.73 53.09 3dmd s ARG 163 Cb 0.29 -2.93 0.93 0.00 0.52 0.00 0.00 34.95 33.77 3dmd s ARG 163 CO 0.24 -1.21 2.06 0.00 0.02 0.00 0.00 175.30 176.41 3dmd h ALA 164 N 6.07 1.78 0.19 2.13 0.00 -1.85 -2.09 119.26 125.50 3dmd h ALA 164 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3dmd h ALA 164 Cb 0.85 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3dmd h ALA 164 CO 0.62 0.18 -0.09 0.78 0.00 0.00 0.00 179.25 180.74 3dmd h GLY 165 N 0.47 -0.27 1.85 0.00 0.00 -1.97 -2.06 103.07 101.09 3dmd h GLY 165 Ca 0.15 0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.53 3dmd h GLY 165 CO -0.03 -0.10 -0.14 0.00 0.00 0.00 0.00 176.54 176.26 3dmd h ALA 166 N 0.30 1.54 -0.19 3.60 0.00 -1.86 -1.95 119.26 120.70 3dmd h ALA 166 Ca -0.03 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.50 3dmd h ALA 166 Cb 0.35 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3dmd h ALA 166 CO 0.04 0.33 -0.61 0.82 0.00 0.00 0.00 179.25 179.83 3dmd h ILE 167 N 0.18 1.31 -0.47 0.00 2.04 -1.30 -0.64 117.51 118.63 3dmd h ILE 167 Ca 0.04 -1.85 -0.01 0.00 1.00 0.00 0.00 64.86 64.03 3dmd h ILE 167 Cb 0.37 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 3dmd h ILE 167 CO 0.02 0.58 0.26 -0.33 0.00 0.00 0.00 178.15 178.69 3dmd h GLU 168 N 0.49 0.66 -0.35 2.37 5.08 -0.91 -0.51 114.58 121.41 3dmd h GLU 168 Ca -0.01 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3dmd h GLU 168 Cb 1.19 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 3dmd h GLU 168 CO 0.12 0.52 0.21 0.37 -1.00 0.00 0.00 179.01 179.22 3dmd h GLN 169 N 0.62 0.41 -0.23 2.33 4.15 -1.19 -0.78 115.11 120.42 3dmd h GLN 169 Ca 0.17 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.61 3dmd h GLN 169 Cb 0.05 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.60 3dmd h GLN 169 CO -0.03 0.27 -0.06 1.25 -1.93 0.00 0.00 178.83 178.33 3dmd h LEU 170 N 0.42 -0.23 -1.33 -2.39 5.85 -0.92 -2.08 115.31 114.64 3dmd h LEU 170 Ca 0.14 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3dmd h LEU 170 Cb -0.00 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3dmd h LEU 170 CO -0.06 -0.08 0.18 -0.33 -0.34 0.00 0.00 178.44 177.81 3dmd h GLU 171 N -0.01 0.63 0.48 1.25 5.08 -0.56 -0.01 114.58 121.44 3dmd h GLU 171 Ca 0.11 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3dmd h GLU 171 Cb 0.18 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3dmd h GLU 171 CO -0.24 0.53 -0.23 0.93 -1.00 0.00 0.00 179.01 178.99 3dmd h GLU 172 N 0.63 -0.62 -0.34 2.33 5.08 -0.72 -1.46 114.58 119.48 3dmd h GLU 172 Ca 0.15 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.61 3dmd h GLU 172 Cb 0.13 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 3dmd h GLU 172 CO -0.02 -0.32 0.02 0.45 -1.00 0.00 0.00 179.01 178.15 3dmd h HIS 173 N -0.88 0.03 -0.76 4.33 3.86 -1.20 -2.25 115.15 118.27 3dmd h HIS 173 Ca -0.07 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.21 3dmd h HIS 173 Cb 0.58 0.04 -0.04 0.00 1.06 0.00 0.00 27.41 29.05 3dmd h HIS 173 CO 0.00 -0.04 0.50 0.00 0.86 0.00 0.00 177.93 179.26 3dmd h ALA 174 N 1.28 1.59 -0.67 2.45 0.00 -0.98 -1.40 119.26 121.53 3dmd h ALA 174 Ca 0.17 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3dmd h ALA 174 Cb 0.22 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3dmd h ALA 174 CO -0.26 0.31 0.15 -0.22 0.00 0.00 0.00 179.25 179.23 3dmd h LYS 175 N 0.88 1.08 -0.96 0.00 3.64 -0.69 -0.03 116.57 120.49 3dmd h LYS 175 Ca 0.31 -0.26 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3dmd h LYS 175 Cb 0.13 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 3dmd h LYS 175 CO -0.10 0.96 0.63 0.00 -2.27 0.00 0.00 179.45 178.68 3dmd h ARG 176 N 1.02 1.20 -0.47 1.90 3.08 -0.82 -2.96 114.38 117.33 3dmd h ARG 176 Ca 0.21 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3dmd h ARG 176 Cb 0.38 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3dmd h ARG 176 CO 0.00 0.79 0.00 0.44 -1.07 0.00 0.00 179.97 180.14 3dmd n ILE 177 N -4.43 2.36 -3.33 2.04 -5.35 -0.99 -4.96 119.36 104.71 3dmd n ILE 177 Ca 0.13 -1.51 -0.17 0.00 -0.27 0.00 0.00 62.75 60.93 3dmd n ILE 177 Cb 0.08 -0.16 0.08 0.00 -1.74 0.00 0.00 39.64 37.91 3dmd n ILE 177 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dmd n GLY 178 N 0.33 -0.31 3.05 3.28 0.00 -0.85 -4.96 105.19 105.73 3dmd n GLY 178 Ca 0.25 0.07 -0.26 0.00 0.00 0.00 0.00 46.02 46.07 3dmd n GLY 178 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dmd s VAL 179 N -3.32 1.32 0.22 1.61 1.01 -0.08 -4.96 120.40 116.21 3dmd s VAL 179 Ca 0.09 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 3dmd s VAL 179 Cb -0.04 -1.20 -0.09 0.00 0.00 0.00 0.00 36.38 35.05 3dmd s VAL 179 CO 0.66 0.40 0.91 -0.75 0.00 0.00 0.00 175.10 176.32 3dmd s LYS 180 N 0.76 4.81 -0.15 2.72 2.20 -1.26 -4.17 119.74 124.64 3dmd s LYS 180 Ca -0.12 1.43 -0.03 0.00 -0.36 0.00 0.00 55.97 56.88 3dmd s LYS 180 Cb -0.16 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 32.86 3dmd s LYS 180 CO 0.03 0.53 -0.04 0.08 -0.36 0.00 0.00 175.35 175.58 3dmd s VAL 181 N -1.16 3.91 -0.23 4.02 1.01 -1.26 -1.62 120.40 125.06 3dmd s VAL 181 Ca 0.40 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 61.92 3dmd s VAL 181 Cb -0.25 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 3dmd s VAL 181 CO 0.31 0.51 0.15 -0.63 0.00 0.00 0.00 175.10 175.44 3dmd s ILE 182 N 0.21 5.34 0.01 2.22 -1.09 0.67 -4.96 121.20 123.59 3dmd s ILE 182 Ca -0.02 0.17 -0.07 0.00 -2.23 0.00 0.00 60.65 58.50 3dmd s ILE 182 Cb -0.14 -3.48 -0.00 0.00 -1.58 0.00 0.00 42.46 37.26 3dmd s ILE 182 CO 0.03 0.36 0.14 -1.59 -1.23 0.00 0.00 174.94 172.65 3dmd s LYS 183 N 0.94 0.53 0.00 2.79 -2.85 -1.26 -0.69 119.74 119.21 3dmd s LYS 183 Ca 0.07 -0.50 0.00 0.00 -1.00 0.00 0.00 55.97 54.55 3dmd s LYS 183 Cb -0.13 0.22 0.00 0.00 -2.06 0.00 0.00 37.83 35.86 3dmd s LYS 183 CO 0.03 -0.13 0.00 0.72 0.10 0.00 0.00 175.35 176.07 3dmd n HIS 184 N 1.22 -0.09 -1.41 1.78 8.25 -1.26 -5.07 115.22 118.64 3dmd n HIS 184 Ca -0.22 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 56.95 3dmd n HIS 184 Cb 0.56 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.81 3dmd n HIS 184 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3dmd s SER 185 N -0.20 3.40 0.25 0.41 1.04 -1.26 -4.92 113.70 112.42 3dmd s SER 185 Ca 0.00 1.12 -0.31 0.00 0.48 0.00 0.00 55.95 57.24 3dmd s SER 185 Cb 0.00 -1.76 -0.12 0.00 0.10 0.00 0.00 66.02 64.24 3dmd s SER 185 CO 0.00 -2.64 1.62 0.00 0.98 0.00 0.00 173.24 173.21 3dmd n TYR 186 N -3.84 2.71 -1.38 5.02 9.36 -1.26 -2.08 117.16 125.68 3dmd n TYR 186 Ca 0.06 0.20 -0.09 0.00 3.32 0.00 0.00 57.90 61.39 3dmd n TYR 186 Cb 0.58 -2.61 -0.04 0.00 -0.63 0.00 0.00 39.34 36.65 3dmd n TYR 186 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3dmd n GLY 187 N 2.90 0.96 3.67 2.98 0.00 0.43 -5.01 105.19 111.12 3dmd n GLY 187 Ca 0.12 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 3dmd n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dmd s ALA 188 N -2.36 1.31 -0.02 4.61 0.00 -0.88 -4.92 121.76 119.49 3dmd s ALA 188 Ca 0.00 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 3dmd s ALA 188 Cb 0.00 -3.36 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 3dmd s ALA 188 CO 0.00 -2.72 1.75 0.34 0.00 0.00 0.00 175.76 175.14 3dmd s ASP 189 N -2.86 6.60 0.24 0.00 2.15 -1.26 -4.73 116.67 116.82 3dmd s ASP 189 Ca 0.66 2.38 -0.06 0.00 0.43 0.00 0.00 52.55 55.96 3dmd s ASP 189 Cb -0.22 -2.53 0.28 0.00 -0.30 0.00 0.00 42.92 40.15 3dmd s ASP 189 CO 0.59 -0.97 1.90 -0.65 -0.17 0.00 0.00 175.17 175.87 3dmd h PRO 190 N 9.86 1.18 -0.54 4.34 0.11 -1.91 -2.41 132.00 142.63 3dmd h PRO 190 Ca -0.43 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 3dmd h PRO 190 Cb 1.20 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 3dmd h PRO 190 CO 0.95 0.78 0.00 0.00 -0.21 0.00 0.00 178.00 179.53 3dmd h ALA 191 N 1.37 0.98 -0.61 -0.75 0.00 -1.91 -2.37 119.26 115.99 3dmd h ALA 191 Ca 0.37 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dmd h ALA 191 Cb -0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3dmd h ALA 191 CO -0.11 0.62 0.36 0.00 0.00 0.00 0.00 179.25 180.13 3dmd h ALA 192 N 1.14 0.78 -0.00 0.00 0.00 -1.84 -0.20 119.26 119.13 3dmd h ALA 192 Ca 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3dmd h ALA 192 Cb 0.50 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3dmd h ALA 192 CO 0.02 0.26 0.00 0.28 0.00 0.00 0.00 179.25 179.82 3dmd h VAL 193 N 0.82 1.15 -0.74 0.00 2.07 -1.26 -0.88 116.25 117.41 3dmd h VAL 193 Ca 0.22 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.34 3dmd h VAL 193 Cb -0.01 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 3dmd h VAL 193 CO -0.04 0.11 0.46 0.00 0.02 0.00 0.00 177.57 178.12 3dmd h ALA 194 N 0.82 0.97 -0.31 1.67 0.00 -1.32 -0.41 119.26 120.69 3dmd h ALA 194 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3dmd h ALA 194 Cb 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3dmd h ALA 194 CO -0.00 0.24 0.19 -0.92 0.00 0.00 0.00 179.25 178.76 3dmd h TYR 195 N 0.89 0.40 -0.35 0.00 3.20 -0.89 -1.23 116.97 119.00 3dmd h TYR 195 Ca 0.30 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.24 3dmd h TYR 195 Cb 0.03 -0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.11 3dmd h TYR 195 CO -0.04 0.29 -0.09 0.22 -1.64 0.00 0.00 178.16 176.90 3dmd h ASP 196 N 0.40 -0.33 -0.84 -2.11 1.82 -0.71 -0.85 116.42 113.80 3dmd h ASP 196 Ca 0.11 0.11 0.06 0.00 -0.39 0.00 0.00 57.03 56.92 3dmd h ASP 196 Cb 0.00 0.22 -0.05 0.00 0.68 0.00 0.00 39.33 40.18 3dmd h ASP 196 CO -0.02 -0.12 0.55 0.00 -1.61 0.00 0.00 179.24 178.04 3dmd h ALA 197 N 1.35 1.56 -0.42 -0.78 0.00 -0.57 -1.28 119.26 119.12 3dmd h ALA 197 Ca 0.17 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3dmd h ALA 197 Cb 0.26 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3dmd h ALA 197 CO -0.36 0.32 -0.24 0.82 0.00 0.00 0.00 179.25 179.78 3dmd h ILE 198 N 0.95 1.27 -0.58 0.00 2.04 -0.02 -0.68 117.51 120.49 3dmd h ILE 198 Ca 0.36 -1.39 -0.06 0.00 1.00 0.00 0.00 64.86 64.78 3dmd h ILE 198 Cb 0.19 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 3dmd h ILE 198 CO -0.13 0.47 0.14 1.56 0.00 0.00 0.00 178.15 180.19 3dmd h GLN 199 N 0.74 0.94 0.53 2.37 1.08 -0.14 -1.19 115.11 119.45 3dmd h GLN 199 Ca 0.09 -0.23 -0.02 0.00 -1.45 0.00 0.00 58.65 57.05 3dmd h GLN 199 Cb 0.79 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.08 3dmd h GLN 199 CO 0.07 0.87 -0.43 1.25 -0.95 0.00 0.00 178.83 179.63 3dmd h HIS 200 N 0.84 -1.16 -0.64 2.96 2.76 -1.12 -0.67 115.15 118.12 3dmd h HIS 200 Ca 0.18 0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.49 3dmd h HIS 200 Cb 0.35 0.44 -0.10 0.00 1.55 0.00 0.00 27.41 29.64 3dmd h HIS 200 CO 0.02 -0.61 0.05 0.00 -1.30 0.00 0.00 177.93 176.10 3dmd h ALA 201 N -0.67 0.70 0.23 5.26 0.00 -0.88 0.10 119.26 124.00 3dmd h ALA 201 Ca -0.06 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3dmd h ALA 201 Cb 0.80 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 3dmd h ALA 201 CO -0.01 -0.37 -0.48 0.87 0.00 0.00 0.00 179.25 179.26 3dmd h LYS 202 N 0.16 -0.76 -0.66 0.00 1.57 -1.04 0.11 116.57 115.96 3dmd h LYS 202 Ca 0.34 0.05 0.19 0.00 -1.87 0.00 0.00 60.65 59.37 3dmd h LYS 202 Cb 0.56 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 3dmd h LYS 202 CO -0.51 -0.50 0.53 0.00 -0.57 0.00 0.00 179.45 178.39 3dmd h ALA 203 N -0.48 2.55 -0.23 3.86 0.00 0.63 -1.42 119.26 124.17 3dmd h ALA 203 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3dmd h ALA 203 Cb 0.76 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3dmd h ALA 203 CO -0.21 -0.87 0.00 0.54 0.00 0.00 0.00 179.25 178.71 3dmd n ARG 204 N -4.11 1.93 -3.68 0.00 5.12 0.15 -4.99 116.66 111.08 3dmd n ARG 204 Ca 0.13 -1.75 -0.23 0.00 -1.93 0.00 0.00 57.85 54.07 3dmd n ARG 204 Cb 0.78 -1.28 0.03 0.00 -1.16 0.00 0.00 32.46 30.83 3dmd n ARG 204 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3dmd n GLY 205 N 0.69 -0.53 3.83 -0.13 0.00 0.18 -4.99 105.19 104.24 3dmd n GLY 205 Ca 0.11 0.25 -0.36 0.00 0.00 0.00 0.00 46.02 46.01 3dmd n GLY 205 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dmd s ILE 206 N -3.63 4.80 -0.01 -0.61 -1.09 -0.07 -4.96 121.20 115.62 3dmd s ILE 206 Ca 0.16 0.99 -0.23 0.00 -2.23 0.00 0.00 60.65 59.34 3dmd s ILE 206 Cb -0.05 -3.79 -0.20 0.00 -1.58 0.00 0.00 42.46 36.84 3dmd s ILE 206 CO 0.82 0.34 1.15 0.44 -1.23 0.00 0.00 174.94 176.46 3dmd h ASP 207 N 3.85 0.30 -3.90 3.58 3.32 -1.83 -3.37 116.42 118.38 3dmd h ASP 207 Ca -0.49 -0.67 -0.48 0.00 0.02 0.00 0.00 57.03 55.42 3dmd h ASP 207 Cb 1.20 -0.09 -0.31 0.00 0.22 0.00 0.00 39.33 40.35 3dmd h ASP 207 CO 0.65 0.92 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.59 3dmd s VAL 208 N -3.56 1.04 -0.15 -1.35 1.01 -0.39 0.10 120.40 117.09 3dmd s VAL 208 Ca -0.15 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 3dmd s VAL 208 Cb 0.03 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 3dmd s VAL 208 CO 0.75 0.31 -0.13 -0.69 0.00 0.00 0.00 175.10 175.34 3dmd s VAL 209 N 0.07 2.86 -0.21 2.92 1.01 -0.64 -0.61 120.40 125.80 3dmd s VAL 209 Ca -0.02 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 3dmd s VAL 209 Cb -0.09 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 3dmd s VAL 209 CO 0.01 0.51 0.06 -0.76 0.00 0.00 0.00 175.10 174.92 3dmd s LEU 210 N 0.74 3.66 -0.35 3.92 1.43 0.12 -0.94 118.68 127.25 3dmd s LEU 210 Ca -0.06 -0.03 -0.13 0.00 -1.03 0.00 0.00 54.13 52.88 3dmd s LEU 210 Cb -0.15 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 3dmd s LEU 210 CO 0.01 0.09 0.24 -0.63 0.23 0.00 0.00 176.35 176.29 3dmd s ILE 211 N 0.85 5.15 -0.19 -0.59 1.01 0.21 -0.61 121.20 127.04 3dmd s ILE 211 Ca 0.04 -0.36 -0.22 0.00 0.00 0.00 0.00 60.65 60.10 3dmd s ILE 211 Cb -0.14 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 3dmd s ILE 211 CO 0.02 -0.07 0.70 -0.62 0.00 0.00 0.00 174.94 174.98 3dmd s ASP 212 N 1.69 6.78 0.32 3.58 2.15 -0.48 -2.68 116.67 128.04 3dmd s ASP 212 Ca 0.05 0.96 0.10 0.00 0.43 0.00 0.00 52.55 54.09 3dmd s ASP 212 Cb -0.18 -2.39 -0.05 0.00 -0.30 0.00 0.00 42.92 40.00 3dmd s ASP 212 CO 0.10 -0.32 -0.03 0.42 -0.17 0.00 0.00 175.17 175.17 3dmd s THR 213 N 2.01 2.69 0.73 1.71 -4.23 -1.26 -0.88 115.64 116.41 3dmd s THR 213 Ca 0.32 -2.04 -0.15 0.00 -1.18 0.00 0.00 61.69 58.64 3dmd s THR 213 Cb -0.16 -2.72 0.04 0.00 1.34 0.00 0.00 72.50 70.99 3dmd s THR 213 CO 0.11 -0.25 1.22 0.00 -0.54 0.00 0.00 174.62 175.16 3dmd s ALA 214 N -2.50 2.12 -0.09 3.99 0.00 -1.26 -4.57 121.76 119.46 3dmd s ALA 214 Ca 0.33 0.93 0.13 0.00 0.00 0.00 0.00 51.96 53.35 3dmd s ALA 214 Cb -0.01 -3.49 0.20 0.00 0.00 0.00 0.00 23.12 19.81 3dmd s ALA 214 CO 0.19 -1.89 1.09 0.41 0.00 0.00 0.00 175.76 175.56 3dmd n GLY 215 N 0.49 3.50 3.34 0.00 0.00 -1.26 -4.70 105.19 106.57 3dmd n GLY 215 Ca 0.14 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 3dmd n GLY 215 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dmd s ARG 216 N -1.98 1.04 0.43 1.61 1.70 -1.26 -1.52 118.95 118.97 3dmd s ARG 216 Ca 0.22 -0.50 -0.23 0.00 -0.47 0.00 0.00 55.73 54.74 3dmd s ARG 216 Cb 0.19 0.46 -0.08 0.00 -0.57 0.00 0.00 34.95 34.95 3dmd s ARG 216 CO 0.02 -0.39 1.12 -1.12 -1.08 0.00 0.00 175.30 173.84 3dmd s SER 217 N -2.41 6.44 0.69 -2.89 0.01 -1.26 -4.73 113.70 109.54 3dmd s SER 217 Ca -0.01 2.19 0.04 0.00 1.31 0.00 0.00 55.95 59.48 3dmd s SER 217 Cb 0.00 -2.60 0.13 0.00 0.21 0.00 0.00 66.02 63.77 3dmd s SER 217 CO -0.07 -0.72 0.95 -0.62 0.41 0.00 0.00 173.24 173.18 3dmd n GLU 218 N -0.29 0.15 -1.97 12.44 -0.58 -1.26 -4.96 120.64 124.17 3dmd n GLU 218 Ca 0.06 -2.96 -0.25 0.00 -0.42 0.00 0.00 57.16 53.59 3dmd n GLU 218 Cb 0.49 -0.51 -0.07 0.00 -0.57 0.00 0.00 31.44 30.78 3dmd n GLU 218 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3dmd s THR 219 N -3.00 3.42 0.00 2.62 2.01 -1.26 -3.88 115.64 115.55 3dmd s THR 219 Ca 0.66 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 62.04 3dmd s THR 219 Cb -0.04 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.18 3dmd s THR 219 CO 0.43 -0.78 0.00 -3.20 -0.69 0.00 0.00 174.62 170.38 3dmd n ASN 220 N 15.37 0.00 -3.74 3.53 5.15 -1.26 -5.19 115.26 129.13 3dmd n ASN 220 Ca 0.43 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 54.36 3dmd n ASN 220 Cb 0.46 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.70 3dmd n ASN 220 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dmd s ARG 221 N 1.01 1.32 -0.22 1.20 1.70 -1.25 -5.14 118.95 117.57 3dmd s ARG 221 Ca 0.00 -0.70 -0.42 0.00 -0.47 0.00 0.00 55.73 54.14 3dmd s ARG 221 Cb 0.00 0.47 -0.18 0.00 -0.57 0.00 0.00 34.95 34.67 3dmd s ARG 221 CO 0.00 -0.60 1.48 -1.71 -1.08 0.00 0.00 175.30 173.39 3dmd n ASN 222 N -0.44 1.38 -0.30 -2.89 2.85 -1.26 -4.26 115.26 110.34 3dmd n ASN 222 Ca -0.06 1.14 0.12 0.00 -0.11 0.00 0.00 54.58 55.66 3dmd n ASN 222 Cb 0.61 -1.02 0.27 0.00 1.24 0.00 0.00 39.78 40.87 3dmd n ASN 222 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3dmd h LEU 223 N 5.15 -0.23 -1.20 1.20 5.85 -1.94 -0.48 115.31 123.65 3dmd h LEU 223 Ca -0.47 0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.53 3dmd h LEU 223 Cb 1.36 0.36 -0.05 0.00 0.37 0.00 0.00 40.66 42.70 3dmd h LEU 223 CO 0.87 -0.24 0.56 0.24 -0.34 0.00 0.00 178.44 179.53 3dmd h MET 224 N 0.11 0.98 -0.18 1.25 2.86 -1.97 -0.36 114.93 117.61 3dmd h MET 224 Ca 0.54 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 58.03 3dmd h MET 224 Cb 1.10 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.54 3dmd h MET 224 CO -0.75 0.65 -0.28 -0.44 1.06 0.00 0.00 176.91 177.15 3dmd h ASP 225 N 1.01 0.55 -0.89 1.22 3.32 -1.48 -2.44 116.42 117.71 3dmd h ASP 225 Ca 0.35 -0.52 0.12 0.00 0.02 0.00 0.00 57.03 57.00 3dmd h ASP 225 Cb 0.12 -0.16 -0.08 0.00 0.22 0.00 0.00 39.33 39.42 3dmd h ASP 225 CO -0.12 0.97 0.51 -0.33 -1.72 0.00 0.00 179.24 178.56 3dmd h GLU 226 N 0.15 0.77 -0.62 3.56 4.39 -0.77 0.24 114.58 122.30 3dmd h GLU 226 Ca 0.02 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 3dmd h GLU 226 Cb 0.85 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 3dmd h GLU 226 CO 0.06 0.51 0.01 0.52 -1.16 0.00 0.00 179.01 178.96 3dmd h MET 227 N 0.80 1.08 -0.77 2.33 2.86 -0.95 -1.38 114.93 118.90 3dmd h MET 227 Ca 0.46 -0.34 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 3dmd h MET 227 Cb 0.52 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 3dmd h MET 227 CO -0.29 1.05 0.30 0.87 1.06 0.00 0.00 176.91 179.90 3dmd h LYS 228 N 0.99 1.16 -0.32 1.72 1.57 -0.82 -0.48 116.57 120.39 3dmd h LYS 228 Ca 0.18 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3dmd h LYS 228 Cb 0.55 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3dmd h LYS 228 CO 0.03 0.95 0.15 -0.22 -0.57 0.00 0.00 179.45 179.78 3dmd h LYS 229 N 1.12 0.46 -0.53 3.15 3.64 -0.63 -0.30 116.57 123.48 3dmd h LYS 229 Ca 0.26 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3dmd h LYS 229 Cb 0.22 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 3dmd h LYS 229 CO -0.02 0.44 0.32 0.82 -2.27 0.00 0.00 179.45 178.73 3dmd h ILE 230 N 0.37 1.16 -0.64 2.00 2.04 -1.04 -1.17 117.51 120.23 3dmd h ILE 230 Ca 0.11 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 3dmd h ILE 230 Cb 0.13 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 3dmd h ILE 230 CO -0.01 0.17 0.35 0.00 0.00 0.00 0.00 178.15 178.65 3dmd h ALA 231 N 1.15 0.82 -0.73 1.87 0.00 -0.82 0.15 119.26 121.71 3dmd h ALA 231 Ca 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3dmd h ALA 231 Cb -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3dmd h ALA 231 CO -0.04 0.34 0.36 0.00 0.00 0.00 0.00 179.25 179.91 3dmd h ARG 232 N 0.88 1.04 -0.20 0.00 3.08 -0.74 0.29 114.38 118.73 3dmd h ARG 232 Ca 0.23 -0.15 -0.19 0.00 0.07 0.00 0.00 59.98 59.94 3dmd h ARG 232 Cb 0.05 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.91 3dmd h ARG 232 CO -0.04 0.81 -0.64 0.28 -1.07 0.00 0.00 179.97 179.31 3dmd h VAL 233 N 1.01 1.30 0.00 2.04 2.07 -0.68 -3.33 116.25 118.66 3dmd h VAL 233 Ca 0.25 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.90 3dmd h VAL 233 Cb 0.11 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3dmd h VAL 233 CO -0.03 0.59 -1.49 0.35 0.02 0.00 0.00 177.57 177.01 3dmd n THR 234 N -3.95 0.01 -3.89 2.57 -2.24 -0.01 -4.95 114.28 101.82 3dmd n THR 234 Ca -0.05 -0.26 -0.37 0.00 -2.27 0.00 0.00 64.05 61.10 3dmd n THR 234 Cb 0.67 0.46 0.02 0.00 -2.10 0.00 0.00 70.33 69.38 3dmd n THR 234 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dmd n LYS 235 N -1.90 -0.77 -1.59 -0.78 5.02 0.10 -4.78 118.16 113.45 3dmd n LYS 235 Ca -0.00 0.36 -0.47 0.00 -2.02 0.00 0.00 58.31 56.18 3dmd n LYS 235 Cb 0.45 -2.95 -0.03 0.00 -0.02 0.00 0.00 35.03 32.48 3dmd n LYS 235 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3dmd n PRO 236 N -4.23 1.30 -0.04 1.97 -0.02 -1.26 -4.91 135.00 127.81 3dmd n PRO 236 Ca -0.15 0.46 -0.06 0.00 -2.02 0.00 0.00 63.50 61.73 3dmd n PRO 236 Cb 0.59 -1.91 0.13 0.00 -0.02 0.00 0.00 33.50 32.29 3dmd n PRO 236 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3dmd h ASN 237 N 2.82 0.65 -3.67 2.55 2.35 -0.70 -3.45 115.58 116.13 3dmd h ASN 237 Ca -0.41 -0.24 -0.20 0.00 -0.55 0.00 0.00 56.30 54.90 3dmd h ASN 237 Cb 1.34 -0.18 -0.28 0.00 0.05 0.00 0.00 38.32 39.25 3dmd h ASN 237 CO 0.66 0.89 -0.53 -0.22 -1.65 0.00 0.00 177.43 176.58 3dmd s LEU 238 N -8.75 1.12 -0.17 1.61 2.96 -0.99 -5.01 118.68 109.45 3dmd s LEU 238 Ca -0.08 0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 54.16 3dmd s LEU 238 Cb 0.13 0.55 -0.01 0.00 0.50 0.00 0.00 46.19 47.36 3dmd s LEU 238 CO 0.82 -0.09 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.97 3dmd s VAL 239 N 0.45 3.18 -0.16 1.68 1.01 -1.26 -1.10 120.40 124.19 3dmd s VAL 239 Ca -0.03 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.37 3dmd s VAL 239 Cb -0.04 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.97 3dmd s VAL 239 CO -0.02 0.49 -0.20 -0.63 0.00 0.00 0.00 175.10 174.73 3dmd s ILE 240 N 0.80 2.14 -0.14 2.22 1.01 0.30 -0.80 121.20 126.72 3dmd s ILE 240 Ca -0.04 -0.94 -0.25 0.00 0.00 0.00 0.00 60.65 59.43 3dmd s ILE 240 Cb -0.15 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 3dmd s ILE 240 CO 0.01 0.54 0.79 0.12 0.00 0.00 0.00 174.94 176.40 3dmd s PHE 241 N 1.00 3.46 -0.15 3.97 5.36 -0.38 -1.01 117.98 130.24 3dmd s PHE 241 Ca -0.02 1.24 -0.07 0.00 -0.96 0.00 0.00 56.93 57.12 3dmd s PHE 241 Cb -0.15 -2.95 -0.04 0.00 -0.34 0.00 0.00 43.02 39.54 3dmd s PHE 241 CO -0.06 -0.15 0.09 0.08 -1.46 0.00 0.00 175.22 173.72 3dmd s VAL 242 N 1.79 5.08 -0.03 3.12 1.01 -0.13 -0.69 120.40 130.55 3dmd s VAL 242 Ca 0.38 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.32 3dmd s VAL 242 Cb -0.17 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 32.98 3dmd s VAL 242 CO 0.14 0.54 0.22 -0.83 0.00 0.00 0.00 175.10 175.17 3dmd s GLY 243 N -0.34 -0.08 -0.41 4.51 0.00 -0.54 -4.54 107.32 105.93 3dmd s GLY 243 Ca 0.10 0.23 -0.22 0.00 0.00 0.00 0.00 44.72 44.84 3dmd s GLY 243 CO 0.01 0.09 0.70 -0.35 0.00 0.00 0.00 173.10 173.55 3dmd s ASP 244 N -0.95 6.41 0.57 1.64 -1.08 -1.25 -0.65 116.67 121.36 3dmd s ASP 244 Ca -0.10 -0.03 0.27 0.00 -0.52 0.00 0.00 52.55 52.17 3dmd s ASP 244 Cb -0.05 -2.35 1.55 0.00 -1.46 0.00 0.00 42.92 40.60 3dmd s ASP 244 CO 0.02 -0.75 2.04 0.00 0.52 0.00 0.00 175.17 177.00 3dmd h ALA 245 N 8.72 2.03 0.00 3.66 0.00 -1.49 0.99 119.26 133.18 3dmd h ALA 245 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3dmd h ALA 245 Cb 1.10 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3dmd h ALA 245 CO 0.90 -0.43 0.00 -0.07 0.00 0.00 0.00 179.25 179.64 3dmd h LEU 246 N 0.00 0.00 -5.04 0.00 3.38 -1.82 -3.30 115.31 108.53 3dmd h LEU 246 Ca 0.14 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.51 3dmd h LEU 246 Cb 0.70 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.36 3dmd h LEU 246 CO -0.00 0.00 2.00 0.00 0.09 0.00 0.00 178.44 180.53 3dmd n ALA 247 N -1.92 6.88 0.27 1.53 0.00 0.34 -4.69 120.51 122.92 3dmd n ALA 247 Ca 0.02 -3.44 0.11 0.00 0.00 0.00 0.00 53.44 50.13 3dmd n ALA 247 Cb 0.28 -2.74 0.73 0.00 0.00 0.00 0.00 19.45 17.72 3dmd n ALA 247 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3dmd h GLY 248 N 5.52 0.00 -2.58 0.00 0.00 -1.80 -1.16 103.07 103.06 3dmd h GLY 248 Ca 0.62 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.82 3dmd h GLY 248 CO 1.27 0.00 0.17 1.16 0.00 0.00 0.00 176.54 179.14 3dmd n ASN 249 N -4.01 3.26 0.00 0.19 6.94 -1.26 -4.53 115.26 115.85 3dmd n ASN 249 Ca -0.03 -2.59 0.00 0.00 -0.02 0.00 0.00 54.58 51.94 3dmd n ASN 249 Cb 0.16 -0.62 0.00 0.00 -2.36 0.00 0.00 39.78 36.96 3dmd n ASN 249 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3dmd n ALA 250 N -0.01 0.56 -0.26 -2.53 0.00 -0.55 -5.01 120.51 112.71 3dmd n ALA 250 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.67 3dmd n ALA 250 Cb 0.88 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.48 3dmd n ALA 250 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3dmd h ILE 251 N 0.00 0.87 -0.73 0.00 3.07 -1.50 0.52 117.51 119.75 3dmd h ILE 251 Ca 0.00 -0.23 -0.01 0.00 1.55 0.00 0.00 64.86 66.17 3dmd h ILE 251 Cb 0.00 0.15 -0.03 0.00 -0.27 0.00 0.00 36.82 36.66 3dmd h ILE 251 CO 0.00 0.12 0.41 0.58 -1.05 0.00 0.00 178.15 178.21 3dmd h VAL 252 N 0.66 1.22 -0.28 0.16 2.07 -1.87 0.25 116.25 118.46 3dmd h VAL 252 Ca 0.36 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 3dmd h VAL 252 Cb 0.37 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3dmd h VAL 252 CO -0.26 0.24 0.05 -0.08 0.02 0.00 0.00 177.57 177.53 3dmd h GLU 253 N 1.00 0.45 -0.60 1.57 4.57 -1.56 -1.29 114.58 118.73 3dmd h GLU 253 Ca 0.26 -0.12 0.11 0.00 -1.18 0.00 0.00 59.36 58.43 3dmd h GLU 253 Cb 0.01 -0.05 -0.12 0.00 -0.16 0.00 0.00 28.75 28.43 3dmd h GLU 253 CO -0.04 0.56 -0.30 1.96 -1.18 0.00 0.00 179.01 180.01 3dmd h GLN 254 N 0.27 -0.13 -0.28 1.92 4.20 -0.64 -1.32 115.11 119.13 3dmd h GLN 254 Ca 0.08 0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.70 3dmd h GLN 254 Cb 0.33 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3dmd h GLN 254 CO 0.00 -0.08 -0.24 0.00 -0.67 0.00 0.00 178.83 177.84 3dmd h ALA 255 N 1.14 1.06 -0.50 3.87 0.00 -0.60 -1.62 119.26 122.61 3dmd h ALA 255 Ca 0.25 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3dmd h ALA 255 Cb 0.54 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3dmd h ALA 255 CO -0.68 0.57 0.26 0.00 0.00 0.00 0.00 179.25 179.40 3dmd h ARG 256 N 0.48 0.48 0.26 0.00 3.08 -0.82 0.27 114.38 118.14 3dmd h ARG 256 Ca 0.07 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3dmd h ARG 256 Cb 0.68 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3dmd h ARG 256 CO 0.05 0.32 -0.13 1.96 -1.07 0.00 0.00 179.97 181.10 3dmd h GLN 257 N 0.50 -0.35 -0.26 0.04 4.20 -0.55 -1.85 115.11 116.85 3dmd h GLN 257 Ca 0.22 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.95 3dmd h GLN 257 Cb 0.13 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3dmd h GLN 257 CO -0.15 -0.23 0.13 0.74 -0.67 0.00 0.00 178.83 178.65 3dmd h PHE 258 N -0.36 0.36 -0.37 2.96 0.04 -1.18 -2.65 116.94 115.73 3dmd h PHE 258 Ca -0.04 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.83 3dmd h PHE 258 Cb 0.28 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3dmd h PHE 258 CO -0.06 0.32 0.27 -0.97 -0.60 0.00 0.00 178.31 177.27 3dmd h ASN 259 N 0.29 0.00 -0.31 2.17 -1.24 -0.31 0.66 115.58 116.85 3dmd h ASN 259 Ca 0.09 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.01 3dmd h ASN 259 Cb 0.08 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.12 3dmd h ASN 259 CO -0.01 0.00 -0.12 -0.08 -1.29 0.00 0.00 177.43 175.92 3dmd h GLU 260 N 0.00 0.74 0.00 6.67 4.81 -0.96 -3.29 114.58 122.55 3dmd h GLU 260 Ca 0.18 -0.25 -0.12 0.00 -0.13 0.00 0.00 59.36 59.05 3dmd h GLU 260 Cb 0.72 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 3dmd h GLU 260 CO -0.00 0.83 -0.69 0.00 -0.73 0.00 0.00 179.01 178.42 3dmd h ALA 261 N 1.20 0.13 -3.29 2.92 0.00 -0.93 -3.46 119.26 115.83 3dmd h ALA 261 Ca 0.11 -0.82 -0.46 0.00 0.00 0.00 0.00 54.91 53.74 3dmd h ALA 261 Cb 0.59 0.43 -0.36 0.00 0.00 0.00 0.00 17.79 18.45 3dmd h ALA 261 CO 0.04 0.41 -0.78 0.08 0.00 0.00 0.00 179.25 179.00 3dmd s VAL 262 N -2.24 0.66 0.13 0.00 1.01 -0.11 -4.83 120.40 115.02 3dmd s VAL 262 Ca -0.22 -0.10 -0.32 0.00 0.00 0.00 0.00 61.98 61.34 3dmd s VAL 262 Cb 0.02 -0.73 -0.11 0.00 0.00 0.00 0.00 36.38 35.56 3dmd s VAL 262 CO 0.54 0.29 1.80 1.17 0.00 0.00 0.00 175.10 178.90 3dmd n LYS 263 N 4.75 2.71 -3.14 2.72 4.81 -1.24 -3.94 118.16 124.83 3dmd n LYS 263 Ca -0.14 0.98 -0.39 0.00 -0.87 0.00 0.00 58.31 57.90 3dmd n LYS 263 Cb 0.50 -2.86 -0.06 0.00 0.02 0.00 0.00 35.03 32.64 3dmd n LYS 263 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3dmd s ILE 264 N 2.34 4.77 -0.16 3.15 1.01 -1.26 -4.67 121.20 126.38 3dmd s ILE 264 Ca 0.81 1.39 0.19 0.00 0.00 0.00 0.00 60.65 63.04 3dmd s ILE 264 Cb -0.51 -4.00 -0.27 0.00 0.01 0.00 0.00 42.46 37.69 3dmd s ILE 264 CO 0.37 0.44 0.20 0.47 0.00 0.00 0.00 174.94 176.42 3dmd n ASP 265 N 2.42 0.04 -3.75 3.58 8.00 0.02 -4.79 116.55 122.06 3dmd n ASP 265 Ca -0.06 0.02 -0.09 0.00 0.71 0.00 0.00 54.79 55.37 3dmd n ASP 265 Cb 0.50 1.20 -0.02 0.00 -0.02 0.00 0.00 41.12 42.78 3dmd n ASP 265 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3dmd s GLY 266 N -5.24 -0.18 -0.03 0.44 0.00 -1.08 -3.90 107.32 97.34 3dmd s GLY 266 Ca -0.09 -0.14 0.05 0.00 0.00 0.00 0.00 44.72 44.53 3dmd s GLY 266 CO 0.85 -0.09 -0.18 -0.42 0.00 0.00 0.00 173.10 173.26 3dmd s ILE 267 N -3.88 1.48 -0.15 0.90 1.01 -0.01 -1.25 121.20 119.30 3dmd s ILE 267 Ca 0.09 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.98 3dmd s ILE 267 Cb -0.04 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 41.19 3dmd s ILE 267 CO 0.01 0.42 -0.19 -0.63 0.00 0.00 0.00 174.94 174.56 3dmd s ILE 268 N -0.22 2.35 -0.22 2.92 1.01 0.13 -0.54 121.20 126.63 3dmd s ILE 268 Ca 0.02 -0.88 -0.08 0.00 0.00 0.00 0.00 60.65 59.72 3dmd s ILE 268 Cb -0.09 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 3dmd s ILE 268 CO 0.01 0.53 0.08 -0.76 0.00 0.00 0.00 174.94 174.80 3dmd s LEU 269 N 0.85 3.69 0.31 2.97 1.43 -1.13 -1.46 118.68 125.35 3dmd s LEU 269 Ca -0.05 -0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.07 3dmd s LEU 269 Cb -0.15 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 3dmd s LEU 269 CO -0.02 0.07 0.41 0.42 0.23 0.00 0.00 176.35 177.46 3dmd s THR 270 N 1.02 4.21 -1.46 5.49 -4.23 0.17 -0.16 115.64 120.69 3dmd s THR 270 Ca 0.05 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 3dmd s THR 270 Cb -0.14 -3.45 0.00 0.00 1.34 0.00 0.00 72.50 70.25 3dmd s THR 270 CO 0.03 -0.20 0.00 0.29 -0.54 0.00 0.00 174.62 174.20 3dmd n LYS 271 N -1.54 -1.68 -0.14 3.99 5.02 -1.08 -1.34 118.16 121.38 3dmd n LYS 271 Ca -0.02 0.82 0.01 0.00 -2.02 0.00 0.00 58.31 57.10 3dmd n LYS 271 Cb 0.58 -5.27 0.29 0.00 -0.02 0.00 0.00 35.03 30.62 3dmd n LYS 271 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3dmd h LEU 272 N 0.00 0.74 -2.38 -0.35 5.85 -0.97 -2.13 115.31 116.07 3dmd h LEU 272 Ca -0.34 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.38 3dmd h LEU 272 Cb 1.13 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 3dmd h LEU 272 CO 0.44 0.55 0.08 -2.24 -0.34 0.00 0.00 178.44 176.94 3dmd h ASP 273 N 0.86 0.00 0.15 1.25 3.04 -1.86 -0.62 116.42 119.23 3dmd h ASP 273 Ca 0.23 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.02 3dmd h ASP 273 Cb -0.07 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.22 3dmd h ASP 273 CO -0.05 0.00 -0.23 0.00 -2.04 0.00 0.00 179.24 176.92 3dmd n ALA 274 N -2.31 3.03 -2.43 4.15 0.00 -0.80 -4.83 120.51 117.30 3dmd n ALA 274 Ca -0.01 -0.45 -0.43 0.00 0.00 0.00 0.00 53.44 52.54 3dmd n ALA 274 Cb 0.18 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 3dmd n ALA 274 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dmd s ASP 275 N -2.39 6.54 0.00 0.00 2.15 -0.24 -4.85 116.67 117.88 3dmd s ASP 275 Ca 0.26 0.92 0.14 0.00 0.43 0.00 0.00 52.55 54.30 3dmd s ASP 275 Cb 0.19 -2.54 0.37 0.00 -0.30 0.00 0.00 42.92 40.64 3dmd s ASP 275 CO 0.48 -1.25 1.30 0.00 -0.17 0.00 0.00 175.17 175.53 3dmd n ALA 276 N 8.13 2.24 -0.01 3.66 0.00 -1.26 -0.86 120.51 132.41 3dmd n ALA 276 Ca 0.15 -1.14 -0.03 0.00 0.00 0.00 0.00 53.44 52.42 3dmd n ALA 276 Cb 0.48 -0.55 -0.01 0.00 0.00 0.00 0.00 19.45 19.37 3dmd n ALA 276 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3dmd n ARG 277 N 0.79 0.19 0.00 0.00 1.74 -1.26 -2.23 116.66 115.89 3dmd n ARG 277 Ca 0.14 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 3dmd n ARG 277 Cb 0.46 -0.79 0.00 0.00 -1.02 0.00 0.00 32.46 31.12 3dmd n ARG 277 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dmd n GLY 278 N 2.67 2.17 0.37 -0.13 0.00 -1.26 -2.64 105.19 106.37 3dmd n GLY 278 Ca -0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.02 3dmd n GLY 278 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3dmd h GLY 279 N 0.00 1.43 0.83 -0.02 0.00 -1.77 -0.55 103.07 103.00 3dmd h GLY 279 Ca 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 3dmd h GLY 279 CO 0.00 0.28 -0.38 0.00 0.00 0.00 0.00 176.54 176.44 3dmd h ALA 280 N 1.50 0.22 -0.55 3.60 0.00 -1.70 -2.32 119.26 120.00 3dmd h ALA 280 Ca 0.42 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3dmd h ALA 280 Cb 0.26 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3dmd h ALA 280 CO -0.18 0.31 0.37 0.00 0.00 0.00 0.00 179.25 179.75 3dmd h ALA 281 N 0.52 1.62 0.00 0.00 0.00 -1.82 -0.44 119.26 119.13 3dmd h ALA 281 Ca -0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3dmd h ALA 281 Cb 1.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3dmd h ALA 281 CO 0.08 0.35 -0.36 1.25 0.00 0.00 0.00 179.25 180.57 3dmd h LEU 282 N 0.74 0.00 0.04 0.00 5.85 -0.98 -3.31 115.31 117.65 3dmd h LEU 282 Ca 0.21 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.59 3dmd h LEU 282 Cb -0.07 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 3dmd h LEU 282 CO -0.05 0.36 -1.92 -1.20 -0.34 0.00 0.00 178.44 175.30 3dmd n SER 283 N -3.53 1.31 -0.30 1.25 7.64 -0.45 -4.61 113.62 114.92 3dmd n SER 283 Ca -0.00 0.27 -0.04 0.00 1.01 0.00 0.00 58.87 60.11 3dmd n SER 283 Cb 0.50 -0.27 0.08 0.00 -1.01 0.00 0.00 64.21 63.51 3dmd n SER 283 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 3dmd h ILE 284 N 0.03 1.21 -0.27 0.44 2.10 -1.23 -2.17 117.51 117.62 3dmd h ILE 284 Ca -0.38 -0.39 -0.03 0.00 1.08 0.00 0.00 64.86 65.14 3dmd h ILE 284 Cb 2.04 0.00 -0.01 0.00 -1.09 0.00 0.00 36.82 37.76 3dmd h ILE 284 CO 0.07 0.21 0.05 -1.28 -1.08 0.00 0.00 178.15 176.11 3dmd h SER 285 N 1.12 0.43 -0.57 2.19 0.87 -1.80 -2.40 113.55 113.38 3dmd h SER 285 Ca 0.30 -0.25 0.02 0.00 -1.23 0.00 0.00 61.79 60.63 3dmd h SER 285 Cb -0.13 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.69 3dmd h SER 285 CO -0.06 0.57 0.35 0.22 -0.53 0.00 0.00 176.83 177.38 3dmd h TYR 286 N 0.26 0.66 -0.42 2.24 3.20 -1.61 0.17 116.97 121.47 3dmd h TYR 286 Ca 0.08 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 3dmd h TYR 286 Cb 0.32 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3dmd h TYR 286 CO 0.02 0.39 -0.17 0.28 -1.64 0.00 0.00 178.16 177.04 3dmd h VAL 287 N 0.70 1.27 0.00 1.81 2.07 -1.27 -3.08 116.25 117.75 3dmd h VAL 287 Ca 0.22 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.48 3dmd h VAL 287 Cb -0.01 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3dmd h VAL 287 CO -0.08 0.43 -1.21 -0.38 0.02 0.00 0.00 177.57 176.35 3dmd n ILE 288 N -4.13 0.07 -3.30 4.57 -0.00 -0.91 -4.98 119.36 110.66 3dmd n ILE 288 Ca 0.01 -0.20 -0.16 0.00 -0.00 0.00 0.00 62.75 62.40 3dmd n ILE 288 Cb 0.40 0.44 0.08 0.00 -0.00 0.00 0.00 39.64 40.57 3dmd n ILE 288 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 3dmd n ASP 289 N -1.85 -2.31 -3.87 4.38 2.03 0.58 -4.94 116.55 110.58 3dmd n ASP 289 Ca 0.02 -0.58 -0.11 0.00 0.52 0.00 0.00 54.79 54.64 3dmd n ASP 289 Cb 0.42 -4.77 -0.11 0.00 -0.72 0.00 0.00 41.12 35.95 3dmd n ASP 289 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dmd s ALA 290 N -3.33 -0.27 0.44 -1.67 0.00 -1.05 -4.67 121.76 111.21 3dmd s ALA 290 Ca 0.03 0.01 -0.23 0.00 0.00 0.00 0.00 51.96 51.77 3dmd s ALA 290 Cb -0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 23.12 23.02 3dmd s ALA 290 CO 0.67 -0.14 1.08 -1.25 0.00 0.00 0.00 175.76 176.12 3dmd s PRO 291 N -0.80 3.92 -0.11 0.00 0.05 -1.25 -4.48 135.00 132.33 3dmd s PRO 291 Ca -0.09 1.55 -0.30 0.00 0.05 0.00 0.00 61.00 62.22 3dmd s PRO 291 Cb -0.05 -2.37 -0.02 0.00 0.05 0.00 0.00 34.50 32.11 3dmd s PRO 291 CO 0.01 -0.36 1.12 0.42 0.05 0.00 0.00 177.00 178.23 3dmd s ILE 292 N -1.71 4.50 -0.21 0.56 1.01 -1.26 -0.83 121.20 123.25 3dmd s ILE 292 Ca 0.62 1.80 -0.12 0.00 0.00 0.00 0.00 60.65 62.95 3dmd s ILE 292 Cb -0.23 -4.16 -0.19 0.00 0.01 0.00 0.00 42.46 37.90 3dmd s ILE 292 CO 0.28 -0.03 0.04 0.18 0.00 0.00 0.00 174.94 175.40 3dmd n LEU 293 N 5.41 2.27 -4.06 2.97 4.77 0.30 -4.64 117.00 124.03 3dmd n LEU 293 Ca 0.11 0.25 -0.12 0.00 -0.03 0.00 0.00 56.01 56.21 3dmd n LEU 293 Cb 0.47 -0.96 -0.11 0.00 -2.33 0.00 0.00 43.42 40.49 3dmd n LEU 293 CO 0.54 0.61 -0.40 -0.36 -1.33 0.00 0.00 177.39 176.45 3dmd s PHE 294 N -2.48 0.64 0.07 -1.77 0.08 -1.24 -1.09 117.98 112.19 3dmd s PHE 294 Ca -0.31 -0.54 0.09 0.00 0.12 0.00 0.00 56.93 56.29 3dmd s PHE 294 Cb 0.09 -0.39 -0.03 0.00 -0.57 0.00 0.00 43.02 42.12 3dmd s PHE 294 CO 0.61 -0.10 -0.24 0.14 -0.10 0.00 0.00 175.22 175.53 3dmd s VAL 295 N -1.57 1.94 -0.30 -0.44 -7.23 -0.11 -2.82 120.40 109.88 3dmd s VAL 295 Ca -0.09 -1.40 -0.13 0.00 -1.81 0.00 0.00 61.98 58.55 3dmd s VAL 295 Cb -0.09 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 3dmd s VAL 295 CO -0.00 0.21 0.25 -0.83 -0.31 0.00 0.00 175.10 174.42 3dmd s GLY 296 N -1.43 1.92 -0.17 2.32 0.00 0.77 -1.06 107.32 109.68 3dmd s GLY 296 Ca 0.10 -1.11 0.15 0.00 0.00 0.00 0.00 44.72 43.86 3dmd s GLY 296 CO 0.03 0.77 1.20 3.33 0.00 0.00 0.00 173.10 178.43 3dmd n VAL 297 N 5.10 1.62 -1.19 1.40 0.24 -0.24 -0.46 118.33 124.81 3dmd n VAL 297 Ca -0.12 -2.78 0.00 0.00 -2.04 0.00 0.00 64.34 59.40 3dmd n VAL 297 Cb 0.51 0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 3dmd n VAL 297 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dmd n GLY 298 N -0.62 -2.21 0.00 7.63 0.00 -1.26 -4.78 105.19 103.95 3dmd n GLY 298 Ca 0.18 -1.23 0.09 0.00 0.00 0.00 0.00 46.02 45.06 3dmd n GLY 298 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dmd n GLN 299 N -0.56 0.59 -1.87 1.61 6.02 -1.26 -4.80 117.38 117.12 3dmd n GLN 299 Ca 0.00 -0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 3dmd n GLN 299 Cb 0.00 -1.42 0.02 0.00 1.02 0.00 0.00 30.24 29.87 3dmd n GLN 299 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3dmd s GLY 300 N -2.86 1.88 0.39 1.08 0.00 -1.26 -4.94 107.32 101.61 3dmd s GLY 300 Ca 0.07 0.20 0.07 0.00 0.00 0.00 0.00 44.72 45.05 3dmd s GLY 300 CO 0.80 0.50 2.01 -0.97 0.00 0.00 0.00 173.10 175.44 3dmd h TYR 301 N -0.07 0.64 -0.11 1.90 0.05 -1.98 -0.04 116.97 117.37 3dmd h TYR 301 Ca -0.45 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.34 3dmd h TYR 301 Cb 1.21 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.74 3dmd h TYR 301 CO 0.61 0.37 0.00 -0.25 -1.05 0.00 0.00 178.16 177.84 3dmd n ASP 302 N -4.47 0.69 -0.71 3.88 9.92 -1.26 -3.30 116.55 121.30 3dmd n ASP 302 Ca 0.07 -1.86 0.13 0.00 -0.53 0.00 0.00 54.79 52.60 3dmd n ASP 302 Cb 0.15 -0.07 0.32 0.00 -0.64 0.00 0.00 41.12 40.87 3dmd n ASP 302 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3dmd n ASP 303 N -0.19 2.22 -4.43 -2.24 8.00 -0.03 -4.53 116.55 115.35 3dmd n ASP 303 Ca 0.07 -1.74 -0.44 0.00 0.71 0.00 0.00 54.79 53.40 3dmd n ASP 303 Cb 0.13 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.19 3dmd n ASP 303 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3dmd s LEU 304 N -2.00 4.76 -0.10 0.64 2.96 -1.21 -1.07 118.68 122.66 3dmd s LEU 304 Ca 0.33 -1.06 -0.03 0.00 -0.22 0.00 0.00 54.13 53.15 3dmd s LEU 304 Cb 0.21 -2.43 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 3dmd s LEU 304 CO 0.32 -1.24 0.04 -0.13 -1.32 0.00 0.00 176.35 174.02 3dmd s ARG 305 N 3.41 3.15 0.43 1.98 1.81 -0.22 -4.90 118.95 124.61 3dmd s ARG 305 Ca 0.18 -0.33 -0.25 0.00 -1.72 0.00 0.00 55.73 53.62 3dmd s ARG 305 Cb -0.19 -2.92 -0.10 0.00 -0.45 0.00 0.00 34.95 31.29 3dmd s ARG 305 CO 0.10 0.70 1.14 -2.30 -0.68 0.00 0.00 175.30 174.27 3dmd n PRO 306 N 2.16 1.61 -3.00 3.54 -0.02 -1.26 -0.94 135.00 137.10 3dmd n PRO 306 Ca -0.19 0.58 -0.40 0.00 -2.02 0.00 0.00 63.50 61.47 3dmd n PRO 306 Cb 0.54 -2.23 -0.05 0.00 -0.02 0.00 0.00 33.50 31.75 3dmd n PRO 306 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3dmd s PHE 307 N -1.25 3.66 -0.19 6.00 5.36 -0.25 -4.75 117.98 126.57 3dmd s PHE 307 Ca 0.63 1.39 0.01 0.00 -0.96 0.00 0.00 56.93 58.00 3dmd s PHE 307 Cb -0.52 -2.83 0.03 0.00 -0.34 0.00 0.00 43.02 39.35 3dmd s PHE 307 CO 0.57 0.17 -0.18 -1.21 -1.46 0.00 0.00 175.22 173.11 3dmd s GLU 308 N 0.39 2.76 0.25 10.12 2.02 -1.26 -4.97 118.70 128.01 3dmd s GLU 308 Ca 0.39 -0.86 -0.04 0.00 0.02 0.00 0.00 54.97 54.49 3dmd s GLU 308 Cb -0.19 -2.54 0.50 0.00 0.10 0.00 0.00 34.13 32.00 3dmd s GLU 308 CO 0.21 -0.27 1.68 -0.22 0.02 0.00 0.00 175.26 176.69 3dmd h LYS 309 N 7.94 0.27 -0.21 1.61 3.64 -1.96 -1.44 116.57 126.42 3dmd h LYS 309 Ca -0.41 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 58.97 3dmd h LYS 309 Cb 1.13 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 3dmd h LYS 309 CO 0.60 0.18 0.09 0.93 -2.27 0.00 0.00 179.45 178.97 3dmd h GLU 310 N 0.28 0.19 -0.81 1.90 4.39 -1.99 -1.11 114.58 117.42 3dmd h GLU 310 Ca 0.44 -0.01 0.11 0.00 0.34 0.00 0.00 59.36 60.23 3dmd h GLU 310 Cb 0.76 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.29 3dmd h GLU 310 CO -0.52 0.12 0.45 2.35 -1.16 0.00 0.00 179.01 180.25 3dmd h TRP 311 N 0.19 0.80 -0.46 4.33 7.01 -1.71 -0.51 115.95 125.60 3dmd h TRP 311 Ca 0.09 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.09 3dmd h TRP 311 Cb 0.04 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 26.84 3dmd h TRP 311 CO -0.11 0.29 0.20 0.35 -2.79 0.00 0.00 178.44 176.39 3dmd h PHE 312 N 0.73 0.69 -0.59 2.65 3.57 -0.79 -2.31 116.94 120.90 3dmd h PHE 312 Ca 0.40 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.78 3dmd h PHE 312 Cb 0.43 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 3dmd h PHE 312 CO -0.07 0.58 0.04 -0.07 -2.23 0.00 0.00 178.31 176.55 3dmd h LEU 313 N 0.61 0.95 -0.64 0.59 3.38 -0.36 -2.21 115.31 117.62 3dmd h LEU 313 Ca 0.16 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3dmd h LEU 313 Cb 0.16 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3dmd h LEU 313 CO -0.02 0.98 0.19 -0.33 0.09 0.00 0.00 178.44 179.36 3dmd h GLU 314 N 0.91 1.01 0.00 1.13 5.08 -0.94 -1.02 114.58 120.75 3dmd h GLU 314 Ca 0.17 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3dmd h GLU 314 Cb 0.48 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3dmd h GLU 314 CO 0.02 0.89 -0.14 0.00 -1.00 0.00 0.00 179.01 178.78 3dmd h ARG 315 N 0.93 0.00 0.10 2.33 2.47 -1.19 -2.38 114.38 116.64 3dmd h ARG 315 Ca 0.21 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.75 3dmd h ARG 315 Cb 0.31 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.65 3dmd h ARG 315 CO -0.00 0.14 -0.75 0.82 0.56 0.00 0.00 179.97 180.74 3dmd h ILE 316 N 0.00 1.49 0.00 2.04 2.04 -0.70 -3.44 117.51 118.94 3dmd h ILE 316 Ca -0.00 -2.39 -0.11 0.00 1.00 0.00 0.00 64.86 63.36 3dmd h ILE 316 Cb 0.24 3.01 -0.02 0.00 -0.74 0.00 0.00 36.82 39.32 3dmd h ILE 316 CO 0.02 0.68 -1.33 0.49 0.00 0.00 0.00 178.15 178.01 3dmd n PHE 317 N -4.15 0.05 0.00 1.37 3.72 -0.47 -4.39 117.46 113.58 3dmd n PHE 317 Ca -0.13 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3dmd n PHE 317 Cb 0.78 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 3dmd n PHE 317 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12