#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddg n ASP 2 N 0.00 1.25 -0.04 3.17 3.85 -1.26 -4.89 116.55 118.63 2ddg n ASP 2 Ca 0.00 -2.06 -0.03 0.00 -0.71 0.00 0.00 54.79 51.98 2ddg n ASP 2 Cb 0.00 -0.62 0.21 0.00 -1.35 0.00 0.00 41.12 39.36 2ddg n ASP 2 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.20 176.10 2ddg h ARG 3 N 0.00 0.62 -0.76 0.11 2.43 -1.99 -1.46 114.38 113.33 2ddg h ARG 3 Ca -0.31 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 58.64 2ddg h ARG 3 Cb 1.16 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 2ddg h ARG 3 CO 0.34 0.71 0.34 1.49 -1.51 0.00 0.00 179.97 181.33 2ddg h GLU 4 N 0.57 1.12 -0.40 0.20 4.81 -1.99 -0.82 114.58 118.06 2ddg h GLU 4 Ca 0.10 -0.18 -0.11 0.00 -0.13 0.00 0.00 59.36 59.04 2ddg h GLU 4 Cb 0.51 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2ddg h GLU 4 CO 0.03 0.89 -0.19 0.00 -0.73 0.00 0.00 179.01 179.01 2ddg h ALA 5 N 1.17 0.91 0.75 2.92 0.00 -1.88 -1.64 119.26 121.49 2ddg h ALA 5 Ca 0.26 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2ddg h ALA 5 Cb 0.17 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2ddg h ALA 5 CO -0.03 0.62 -0.36 0.35 0.00 0.00 0.00 179.25 179.83 2ddg h PHE 6 N 0.68 -0.94 -0.98 0.00 3.57 -0.76 -1.20 116.94 117.31 2ddg h PHE 6 Ca 0.10 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.63 2ddg h PHE 6 Cb 0.69 0.31 -0.06 0.00 2.79 0.00 0.00 35.95 39.68 2ddg h PHE 6 CO 0.04 -0.57 0.64 0.28 -2.23 0.00 0.00 178.31 176.47 2ddg h VAL 7 N -1.07 1.13 0.23 1.41 2.07 -1.15 0.17 116.25 119.05 2ddg h VAL 7 Ca -0.10 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 2ddg h VAL 7 Cb 0.79 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2ddg h VAL 7 CO 0.17 0.22 -0.11 -0.61 0.02 0.00 0.00 177.57 177.26 2ddg h GLN 8 N 1.20 -0.30 -0.04 1.57 -0.00 -1.19 -2.33 115.11 114.01 2ddg h GLN 8 Ca 0.40 0.02 -0.19 0.00 -0.00 0.00 0.00 58.65 58.89 2ddg h GLN 8 Cb 0.07 0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.62 2ddg h GLN 8 CO -0.14 -0.13 -0.77 1.79 0.00 0.00 0.00 178.83 179.58 2ddg h THR 9 N -0.41 1.41 -0.31 2.39 1.35 -1.00 -3.29 112.91 113.06 2ddg h THR 9 Ca -0.03 -2.28 -0.02 0.00 -0.55 0.00 0.00 66.41 63.53 2ddg h THR 9 Cb 0.31 2.23 -0.01 0.00 -1.73 0.00 0.00 68.15 68.94 2ddg h THR 9 CO 0.05 0.68 0.12 0.25 -0.25 0.00 0.00 175.52 176.37 2ddg h LEU 10 N 0.21 0.43 -1.77 3.87 5.85 -0.67 -2.98 115.31 120.25 2ddg h LEU 10 Ca -0.04 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2ddg h LEU 10 Cb 1.36 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2ddg h LEU 10 CO 0.13 0.48 0.00 0.71 -0.34 0.00 0.00 178.44 179.42 2ddg h THR 11 N 0.35 0.00 -0.03 1.05 1.35 -1.49 -1.81 112.91 112.33 2ddg h THR 11 Ca 0.10 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 2ddg h THR 11 Cb 0.19 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 2ddg h THR 11 CO -0.01 0.00 -0.02 0.00 -0.25 0.00 0.00 175.52 175.25 2ddg n ALA 12 N -1.95 2.50 -1.77 6.62 0.00 -1.14 -4.47 120.51 120.31 2ddg n ALA 12 Ca -0.01 -0.68 -0.41 0.00 0.00 0.00 0.00 53.44 52.35 2ddg n ALA 12 Cb 0.15 -0.83 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 2ddg n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ddg n ARG 14 N 0.59 0.79 0.22 0.00 1.74 -1.26 -4.84 116.66 113.89 2ddg n ARG 14 Ca 0.01 -2.25 0.08 0.00 -0.77 0.00 0.00 57.85 54.91 2ddg n ARG 14 Cb 0.41 -0.41 0.51 0.00 -1.02 0.00 0.00 32.46 31.94 2ddg n ARG 14 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2ddg h LEU 15 N 1.40 0.00 -7.95 0.55 3.38 -2.00 -3.39 115.31 107.30 2ddg h LEU 15 Ca -0.28 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 56.96 2ddg h LEU 15 Cb 1.52 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.98 2ddg h LEU 15 CO 0.03 0.25 -0.39 0.00 0.09 0.00 0.00 178.44 178.42 2ddg h PRO 17 N 8.45 1.10 -0.53 0.00 0.13 -2.00 0.45 132.00 139.61 2ddg h PRO 17 Ca -0.21 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 64.80 2ddg h PRO 17 Cb 1.07 -0.25 -0.02 0.00 0.13 0.00 0.00 31.00 31.93 2ddg h PRO 17 CO 0.86 0.73 0.11 -0.09 -0.23 0.00 0.00 178.00 179.38 2ddg h ARG 18 N 1.14 0.82 0.15 0.86 2.43 -1.97 -2.54 114.38 115.26 2ddg h ARG 18 Ca 0.41 -0.17 -0.28 0.00 -0.81 0.00 0.00 59.98 59.12 2ddg h ARG 18 Cb 0.15 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2ddg h ARG 18 CO -0.15 0.75 -1.28 -0.07 -1.51 0.00 0.00 179.97 177.71 2ddg h LEU 19 N 0.78 0.51 -1.68 3.80 3.38 -1.71 -1.82 115.31 118.56 2ddg h LEU 19 Ca 0.17 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2ddg h LEU 19 Cb 0.32 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2ddg h LEU 19 CO 0.00 1.42 0.13 0.58 0.09 0.00 0.00 178.44 180.67 2ddg h VAL 20 N 0.09 1.09 0.12 1.22 2.07 -0.82 -1.06 116.25 118.96 2ddg h VAL 20 Ca -0.16 -0.22 -0.18 0.00 0.82 0.00 0.00 66.70 66.96 2ddg h VAL 20 Cb 2.00 0.75 0.01 0.00 -1.52 0.00 0.00 31.29 32.53 2ddg h VAL 20 CO 0.22 0.09 -0.82 0.00 0.02 0.00 0.00 177.57 177.08 2ddg h ALA 21 N 1.80 -0.03 -0.56 1.67 0.00 -1.46 -3.36 119.26 117.32 2ddg h ALA 21 Ca 0.09 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 2ddg h ALA 21 Cb 0.02 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2ddg h ALA 21 CO -0.01 0.41 0.31 2.35 0.00 0.00 0.00 179.25 182.30 2ddg h TRP 22 N -0.45 0.76 -0.13 0.00 2.91 -1.05 0.07 115.95 118.05 2ddg h TRP 22 Ca -0.16 -0.02 0.04 0.00 1.13 0.00 0.00 58.89 59.88 2ddg h TRP 22 Cb 1.58 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 29.98 2ddg h TRP 22 CO 0.19 0.55 0.18 0.07 -1.03 0.00 0.00 178.44 178.40 2ddg h ARG 23 N 0.75 0.00 0.00 2.65 0.11 -1.35 -1.46 114.38 115.07 2ddg h ARG 23 Ca 0.20 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 59.90 2ddg h ARG 23 Cb 0.04 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.05 2ddg h ARG 23 CO -0.03 0.00 -2.40 -1.91 0.10 0.00 0.00 179.97 175.73 2ddg n GLU 24 N -3.61 0.68 0.01 0.08 4.07 -1.03 -4.42 120.64 116.41 2ddg n GLU 24 Ca 0.00 0.04 0.05 0.00 -0.06 0.00 0.00 57.16 57.20 2ddg n GLU 24 Cb 0.28 -1.53 0.45 0.00 -0.06 0.00 0.00 31.44 30.59 2ddg n GLU 24 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 2ddg h GLU 25 N 0.00 0.48 0.00 5.31 4.22 0.03 -1.95 114.58 122.67 2ddg h GLU 25 Ca -0.55 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 58.86 2ddg h GLU 25 Cb 2.15 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.29 2ddg h GLU 25 CO -0.00 0.32 0.00 1.33 -2.18 0.00 0.00 179.01 178.47 2ddg n VAL 26 N -4.48 0.20 -1.82 0.32 0.24 -0.79 -4.73 118.33 107.27 2ddg n VAL 26 Ca 0.03 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.34 61.89 2ddg n VAL 26 Cb 0.10 -0.57 -0.03 0.00 -1.47 0.00 0.00 33.84 31.87 2ddg n VAL 26 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2ddg s VAL 27 N -3.02 3.28 0.00 3.34 1.01 -0.73 -1.39 120.40 122.88 2ddg s VAL 27 Ca 0.13 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2ddg s VAL 27 Cb 0.17 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2ddg s VAL 27 CO 0.51 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.16 2ddg n GLY 28 N 4.59 0.79 0.22 4.51 0.00 -1.26 -4.93 105.19 109.10 2ddg n GLY 28 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.35 2ddg n GLY 28 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2ddg h ARG 29 N 3.98 0.00 -4.88 1.61 2.47 -1.52 -3.43 114.38 112.61 2ddg h ARG 29 Ca 0.00 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 58.07 2ddg h ARG 29 Cb 0.00 0.00 -0.20 0.00 -1.65 0.00 0.00 29.97 28.12 2ddg h ARG 29 CO 0.00 0.00 -0.56 0.21 0.56 0.00 0.00 179.97 180.18 2ddg s LYS 30 N -3.30 3.71 0.23 0.04 2.20 -1.26 -5.00 119.74 116.36 2ddg s LYS 30 Ca 0.06 -0.46 -0.12 0.00 -0.36 0.00 0.00 55.97 55.09 2ddg s LYS 30 Cb 0.06 -3.54 0.30 0.00 -1.51 0.00 0.00 37.83 33.15 2ddg s LYS 30 CO 0.63 -0.24 1.61 -0.09 -0.36 0.00 0.00 175.35 176.90 2ddg h ARG 31 N 8.33 0.01 -0.25 4.03 2.43 -1.99 -1.23 114.38 125.71 2ddg h ARG 31 Ca -0.35 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 58.89 2ddg h ARG 31 Cb 1.18 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 2ddg h ARG 31 CO 0.58 0.00 0.28 0.00 -1.51 0.00 0.00 179.97 179.32 2ddg h ALA 32 N 1.72 1.89 -0.08 2.80 0.00 -1.97 -2.86 119.26 120.76 2ddg h ALA 32 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2ddg h ALA 32 Cb 0.54 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2ddg h ALA 32 CO -0.74 -0.40 0.00 1.19 0.00 0.00 0.00 179.25 179.30 2ddg n PHE 33 N -3.75 0.10 -1.79 0.00 3.72 -0.51 -5.04 117.46 110.19 2ddg n PHE 33 Ca 0.03 -0.40 -0.41 0.00 -0.05 0.00 0.00 57.45 56.62 2ddg n PHE 33 Cb 0.41 -0.03 -0.00 0.00 -0.94 0.00 0.00 39.48 38.92 2ddg n PHE 33 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2ddg s ARG 34 N -0.85 4.11 0.00 -1.08 3.52 -0.93 -1.92 118.95 121.79 2ddg s ARG 34 Ca 0.06 2.58 0.00 0.00 -0.13 0.00 0.00 55.73 58.24 2ddg s ARG 34 Cb 0.03 -2.98 0.00 0.00 -1.56 0.00 0.00 34.95 30.45 2ddg s ARG 34 CO 0.04 -0.56 0.00 0.41 -0.81 0.00 0.00 175.30 174.39 2ddg n GLY 35 N 0.75 1.42 3.92 8.12 0.00 -1.26 -5.04 105.19 113.09 2ddg n GLY 35 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 2ddg n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ddg s GLU 36 N -0.49 3.54 0.39 1.61 2.02 -0.81 -5.06 118.70 119.90 2ddg s GLU 36 Ca 0.00 -0.27 -0.26 0.00 0.02 0.00 0.00 54.97 54.46 2ddg s GLU 36 Cb 0.00 -2.81 -0.09 0.00 0.10 0.00 0.00 34.13 31.33 2ddg s GLU 36 CO 0.00 0.38 1.19 -1.25 0.02 0.00 0.00 175.26 175.60 2ddg s PRO 37 N -3.30 4.12 -0.05 0.39 0.04 -1.26 -4.92 135.00 130.02 2ddg s PRO 37 Ca 0.39 1.89 0.06 0.00 0.04 0.00 0.00 61.00 63.39 2ddg s PRO 37 Cb -0.11 -2.75 -0.01 0.00 0.04 0.00 0.00 34.50 31.67 2ddg s PRO 37 CO 0.29 -0.28 -0.24 0.71 0.04 0.00 0.00 177.00 177.52 2ddg s TYR 38 N -1.36 2.31 0.11 0.56 4.12 -1.26 -4.86 117.35 116.97 2ddg s TYR 38 Ca 0.55 -0.66 -0.22 0.00 0.02 0.00 0.00 57.07 56.76 2ddg s TYR 38 Cb -0.32 -1.52 -0.07 0.00 -1.52 0.00 0.00 41.96 38.53 2ddg s TYR 38 CO 0.41 -0.19 1.70 2.35 0.02 0.00 0.00 175.55 179.84 2ddg h TRP 39 N 6.03 -0.19 -6.91 2.71 -0.00 -0.81 -3.46 115.95 113.31 2ddg h TRP 39 Ca -0.33 0.01 -0.58 0.00 -0.00 0.00 0.00 58.89 57.99 2ddg h TRP 39 Cb 1.17 0.09 -0.18 0.00 -0.00 0.00 0.00 29.16 30.24 2ddg h TRP 39 CO 0.42 -0.12 -0.94 0.00 -0.00 0.00 0.00 178.44 177.81 2ddg n ALA 40 N -2.35 -1.92 -3.04 2.65 0.00 0.12 -4.93 120.51 111.04 2ddg n ALA 40 Ca -0.05 -0.34 -0.11 0.00 0.00 0.00 0.00 53.44 52.94 2ddg n ALA 40 Cb 0.13 -1.24 -0.05 0.00 0.00 0.00 0.00 19.45 18.29 2ddg n ALA 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2ddg s ARG 41 N -7.12 1.69 0.46 0.00 0.52 -1.26 -4.74 118.95 108.50 2ddg s ARG 41 Ca 0.10 -1.47 -0.24 0.00 -0.52 0.00 0.00 55.73 53.59 2ddg s ARG 41 Cb -0.06 0.45 -0.08 0.00 0.52 0.00 0.00 34.95 35.78 2ddg s ARG 41 CO 0.97 -0.70 1.27 -2.30 0.02 0.00 0.00 175.30 174.56 2ddg n PRO 42 N -0.45 1.82 -3.59 3.54 -0.02 -1.26 -4.82 135.00 130.22 2ddg n PRO 42 Ca -0.01 0.65 -0.38 0.00 -2.02 0.00 0.00 63.50 61.74 2ddg n PRO 42 Cb 0.62 -2.41 -0.11 0.00 -0.02 0.00 0.00 33.50 31.58 2ddg n PRO 42 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ddg s VAL 43 N -1.24 5.27 0.55 -1.45 1.01 0.21 -4.75 120.40 120.00 2ddg s VAL 43 Ca 0.64 0.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.60 2ddg s VAL 43 Cb -0.48 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.31 2ddg s VAL 43 CO 0.56 0.24 1.01 -2.84 0.00 0.00 0.00 175.10 174.06 2ddg s PRO 44 N 1.75 3.74 1.03 2.72 0.02 -1.26 -4.88 135.00 138.12 2ddg s PRO 44 Ca 0.07 0.99 -0.12 0.00 0.02 0.00 0.00 61.00 61.96 2ddg s PRO 44 Cb -0.16 -2.10 0.20 0.00 0.02 0.00 0.00 34.50 32.46 2ddg s PRO 44 CO 0.11 -0.44 1.07 0.20 -0.33 0.00 0.00 177.00 177.61 2ddg s GLY 45 N -3.12 1.58 -0.01 0.52 0.00 -1.26 -4.51 107.32 100.51 2ddg s GLY 45 Ca 0.60 -0.14 -0.01 0.00 0.00 0.00 0.00 44.72 45.17 2ddg s GLY 45 CO 0.35 0.46 0.03 -0.12 0.00 0.00 0.00 173.10 173.83 2ddg s PHE 46 N -2.76 -0.02 -4.78 1.90 5.36 -0.07 -4.96 117.98 112.64 2ddg s PHE 46 Ca 0.66 0.09 0.00 0.00 -0.96 0.00 0.00 56.93 56.72 2ddg s PHE 46 Cb -0.21 -0.03 0.00 0.00 -0.34 0.00 0.00 43.02 42.45 2ddg s PHE 46 CO 0.60 -0.03 0.00 0.41 -1.46 0.00 0.00 175.22 174.74 2ddg n GLY 47 N 3.24 0.96 3.62 13.12 0.00 -1.26 -0.49 105.19 124.38 2ddg n GLY 47 Ca -0.15 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.54 2ddg n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ddg s ASP 48 N -4.00 6.42 0.29 1.61 -1.08 -0.34 -4.88 116.67 114.69 2ddg s ASP 48 Ca 0.00 1.13 0.21 0.00 -0.52 0.00 0.00 52.55 53.37 2ddg s ASP 48 Cb 0.00 -2.54 1.06 0.00 -1.46 0.00 0.00 42.92 39.99 2ddg s ASP 48 CO 0.00 -1.30 1.64 -0.81 0.52 0.00 0.00 175.17 175.21 2ddg n PRO 49 N 7.77 0.14 -0.61 4.34 -0.04 -1.26 -0.85 135.00 144.50 2ddg n PRO 49 Ca 0.17 0.58 0.08 0.00 -0.04 0.00 0.00 63.50 64.29 2ddg n PRO 49 Cb 0.47 -1.91 0.32 0.00 -0.04 0.00 0.00 33.50 32.34 2ddg n PRO 49 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2ddg n GLU 50 N -2.21 3.75 -1.67 0.54 -0.58 -1.26 -4.57 120.64 114.66 2ddg n GLU 50 Ca -0.01 -2.89 -0.41 0.00 -0.42 0.00 0.00 57.16 53.44 2ddg n GLU 50 Cb 0.08 -1.94 0.02 0.00 -0.57 0.00 0.00 31.44 29.02 2ddg n GLU 50 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ddg n ALA 51 N 0.33 0.83 0.41 0.62 0.00 -0.03 -4.71 120.51 117.97 2ddg n ALA 51 Ca 0.24 0.21 0.10 0.00 0.00 0.00 0.00 53.44 53.99 2ddg n ALA 51 Cb 0.95 -2.20 -0.14 0.00 0.00 0.00 0.00 19.45 18.06 2ddg n ALA 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ddg n ARG 52 N -0.12 0.47 -5.15 0.00 1.74 -0.33 -1.71 116.66 111.56 2ddg n ARG 52 Ca 0.09 -0.11 -0.31 0.00 -0.77 0.00 0.00 57.85 56.74 2ddg n ARG 52 Cb 0.41 -1.48 -0.17 0.00 -1.02 0.00 0.00 32.46 30.19 2ddg n ARG 52 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2ddg s ILE 53 N -3.23 1.97 -0.16 0.55 1.01 -0.39 0.32 121.20 121.27 2ddg s ILE 53 Ca -0.01 -0.97 0.01 0.00 0.00 0.00 0.00 60.65 59.68 2ddg s ILE 53 Cb 0.14 -1.71 0.01 0.00 0.01 0.00 0.00 42.46 40.91 2ddg s ILE 53 CO 0.86 0.54 -0.18 -0.22 0.00 0.00 0.00 174.94 175.94 2ddg s LEU 54 N 0.38 2.31 -0.31 2.97 1.98 -0.06 -1.70 118.68 124.26 2ddg s LEU 54 Ca -0.18 -0.54 -0.11 0.00 -2.89 0.00 0.00 54.13 50.40 2ddg s LEU 54 Cb -0.18 -1.52 -0.03 0.00 0.66 0.00 0.00 46.19 45.13 2ddg s LEU 54 CO 0.08 0.06 0.20 -0.76 -1.89 0.00 0.00 176.35 174.04 2ddg s LEU 55 N 0.93 4.20 -0.36 -0.68 1.02 -0.60 0.13 118.68 123.32 2ddg s LEU 55 Ca -0.04 -0.26 -0.08 0.00 0.02 0.00 0.00 54.13 53.78 2ddg s LEU 55 Cb -0.15 -2.10 0.04 0.00 0.02 0.00 0.00 46.19 44.01 2ddg s LEU 55 CO -0.03 -0.14 0.15 0.12 0.02 0.00 0.00 176.35 176.46 2ddg s PHE 56 N 1.71 3.27 0.00 0.29 5.36 0.73 -2.59 117.98 126.75 2ddg s PHE 56 Ca 0.06 -1.38 0.00 0.00 -0.96 0.00 0.00 56.93 54.65 2ddg s PHE 56 Cb -0.17 -2.42 0.00 0.00 -0.34 0.00 0.00 43.02 40.09 2ddg s PHE 56 CO 0.10 -0.74 0.00 0.41 -1.46 0.00 0.00 175.22 173.53 2ddg n GLY 57 N 4.85 0.24 0.05 13.12 0.00 0.12 -0.55 105.19 123.02 2ddg n GLY 57 Ca -0.12 -1.85 -0.03 0.00 0.00 0.00 0.00 46.02 44.02 2ddg n GLY 57 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ddg h LEU 58 N 0.00 0.00 -7.71 0.99 5.85 -1.86 -1.72 115.31 110.85 2ddg h LEU 58 Ca 0.00 0.00 0.21 0.00 0.84 0.00 0.00 57.88 58.93 2ddg h LEU 58 Cb 0.00 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 2ddg h LEU 58 CO 0.00 0.51 0.60 0.00 -0.34 0.00 0.00 178.44 179.21 2ddg s ALA 59 N -2.82 -1.77 0.39 1.25 0.00 -1.26 -1.89 121.76 115.67 2ddg s ALA 59 Ca -0.10 0.04 -0.26 0.00 0.00 0.00 0.00 51.96 51.64 2ddg s ALA 59 Cb 0.01 0.65 -0.09 0.00 0.00 0.00 0.00 23.12 23.70 2ddg s ALA 59 CO 0.15 -1.06 1.21 -2.14 0.00 0.00 0.00 175.76 173.92 2ddg s PRO 60 N -2.66 4.06 0.25 0.00 0.02 -1.26 -5.00 135.00 130.42 2ddg s PRO 60 Ca 0.17 1.94 -0.21 0.00 0.02 0.00 0.00 61.00 62.92 2ddg s PRO 60 Cb -0.01 -2.74 -0.09 0.00 0.02 0.00 0.00 34.50 31.69 2ddg s PRO 60 CO 0.02 -0.34 0.78 0.20 -0.33 0.00 0.00 177.00 177.33 2ddg s GLY 61 N -0.98 2.65 0.29 0.52 0.00 -1.26 -4.25 107.32 104.29 2ddg s GLY 61 Ca 0.56 0.25 0.04 0.00 0.00 0.00 0.00 44.72 45.57 2ddg s GLY 61 CO 0.42 0.62 1.77 0.00 0.00 0.00 0.00 173.10 175.91 2ddg h ALA 62 N 3.32 1.55 -0.13 3.20 0.00 -1.94 -2.14 119.26 123.12 2ddg h ALA 62 Ca -0.48 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2ddg h ALA 62 Cb 1.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2ddg h ALA 62 CO 0.65 -0.05 0.00 0.72 0.00 0.00 0.00 179.25 180.57 2ddg n HIS 63 N -4.80 0.39 0.00 0.00 8.25 -1.26 -4.10 115.22 113.70 2ddg n HIS 63 Ca 0.21 -0.85 0.00 0.00 -0.26 0.00 0.00 57.72 56.83 2ddg n HIS 63 Cb 0.53 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.45 2ddg n HIS 63 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ddg n GLY 64 N -0.79 0.34 0.24 -1.41 0.00 -0.83 -4.57 105.19 98.17 2ddg n GLY 64 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 2ddg n GLY 64 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ddg h SER 65 N 0.00 0.00 0.68 1.61 4.64 -1.63 -0.90 113.55 117.94 2ddg h SER 65 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ddg h SER 65 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2ddg h SER 65 CO 0.00 0.18 0.00 -1.13 -0.87 0.00 0.00 176.83 175.01 2ddg h ASN 66 N 0.00 0.00 0.00 4.97 -1.24 -1.72 0.29 115.58 117.88 2ddg h ASN 66 Ca -0.00 0.00 -0.34 0.00 0.71 0.00 0.00 56.30 56.67 2ddg h ASN 66 Cb 0.41 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.41 2ddg h ASN 66 CO 0.02 0.00 -1.99 -1.14 -1.29 0.00 0.00 177.43 173.04 2ddg n ARG 67 N -2.96 0.57 0.07 6.67 0.63 -0.47 0.11 116.66 121.28 2ddg n ARG 67 Ca -0.00 0.35 -0.04 0.00 -0.92 0.00 0.00 57.85 57.24 2ddg n ARG 67 Cb 0.22 -1.56 -0.07 0.00 0.45 0.00 0.00 32.46 31.50 2ddg n ARG 67 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 2ddg h THR 68 N -1.00 1.24 0.00 5.15 1.35 -1.23 -0.54 112.91 117.88 2ddg h THR 68 Ca -0.52 -2.84 0.00 0.00 -0.55 0.00 0.00 66.41 62.51 2ddg h THR 68 Cb 1.43 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 70.44 2ddg h THR 68 CO -0.31 0.71 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 2ddg n GLY 69 N 1.34 0.71 3.11 5.82 0.00 0.10 -4.84 105.19 111.43 2ddg n GLY 69 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 2ddg n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ddg s ARG 70 N -0.59 1.91 0.18 1.61 3.52 -1.25 -4.60 118.95 119.72 2ddg s ARG 70 Ca 0.00 -0.57 -0.31 0.00 -0.13 0.00 0.00 55.73 54.71 2ddg s ARG 70 Cb 0.00 -1.59 -0.17 0.00 -1.56 0.00 0.00 34.95 31.63 2ddg s ARG 70 CO 0.00 0.16 0.84 -2.30 -0.81 0.00 0.00 175.30 173.19 2ddg n PRO 71 N 3.41 0.50 -1.49 5.12 -0.02 -1.26 -1.42 135.00 139.85 2ddg n PRO 71 Ca -0.20 0.18 -0.10 0.00 -2.02 0.00 0.00 63.50 61.36 2ddg n PRO 71 Cb 0.53 -1.44 -0.04 0.00 -0.02 0.00 0.00 33.50 32.53 2ddg n PRO 71 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2ddg n PHE 72 N 0.62 -0.69 -3.93 6.00 3.01 -1.26 -4.93 117.46 116.28 2ddg n PHE 72 Ca 0.16 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.27 2ddg n PHE 72 Cb 0.23 -2.23 -0.11 0.00 -0.01 0.00 0.00 39.48 37.37 2ddg n PHE 72 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2ddg s THR 73 N -1.96 4.65 0.00 4.37 2.01 -0.50 -2.92 115.64 121.28 2ddg s THR 73 Ca 0.00 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.93 2ddg s THR 73 Cb 0.00 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.39 2ddg s THR 73 CO 0.00 0.41 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 2ddg n GLY 74 N 4.03 0.93 2.96 4.40 0.00 -1.26 -3.36 105.19 112.89 2ddg n GLY 74 Ca -0.16 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 2ddg n GLY 74 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ddg n ASP 75 N 0.01 -0.84 0.13 1.61 5.68 -1.26 -4.54 116.55 117.34 2ddg n ASP 75 Ca 0.00 -2.90 0.05 0.00 -0.50 0.00 0.00 54.79 51.44 2ddg n ASP 75 Cb 0.00 1.78 0.51 0.00 -1.14 0.00 0.00 41.12 42.27 2ddg n ASP 75 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ddg h ALA 76 N 1.97 1.81 -0.34 2.12 0.00 -1.97 -2.00 119.26 120.85 2ddg h ALA 76 Ca -0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2ddg h ALA 76 Cb 1.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2ddg h ALA 76 CO 0.32 0.17 0.10 0.77 0.00 0.00 0.00 179.25 180.61 2ddg h SER 77 N 0.27 0.49 0.22 0.00 0.02 -1.89 -2.52 113.55 110.15 2ddg h SER 77 Ca 0.07 -0.21 -0.12 0.00 -0.84 0.00 0.00 61.79 60.69 2ddg h SER 77 Cb 0.02 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2ddg h SER 77 CO -0.01 0.57 -0.46 1.23 -1.14 0.00 0.00 176.83 177.01 2ddg h GLY 78 N 0.39 0.32 2.00 -3.77 0.00 -1.34 0.92 103.07 101.58 2ddg h GLY 78 Ca 0.11 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 2ddg h GLY 78 CO -0.00 0.29 -0.10 0.00 0.00 0.00 0.00 176.54 176.73 2ddg h ALA 79 N 1.28 1.20 0.00 3.60 0.00 -1.20 -1.14 119.26 123.00 2ddg h ALA 79 Ca 0.02 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.62 2ddg h ALA 79 Cb 0.91 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2ddg h ALA 79 CO 0.07 0.12 -1.25 0.34 0.00 0.00 0.00 179.25 178.54 2ddg n PHE 80 N -3.50 0.93 0.12 0.00 -0.00 -0.96 -4.54 117.46 109.52 2ddg n PHE 80 Ca -0.02 0.40 -0.14 0.00 -0.00 0.00 0.00 57.45 57.70 2ddg n PHE 80 Cb 0.24 -1.05 -0.08 0.00 -0.00 0.00 0.00 39.48 38.59 2ddg n PHE 80 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 2ddg h LEU 81 N -1.00 -0.25 -0.70 -2.13 5.85 -0.70 -3.30 115.31 113.09 2ddg h LEU 81 Ca -0.33 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.30 2ddg h LEU 81 Cb 1.22 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.26 2ddg h LEU 81 CO -0.20 0.01 0.41 1.88 -0.34 0.00 0.00 178.44 180.20 2ddg h TYR 82 N -0.51 0.75 -0.53 1.25 0.05 -1.45 -1.33 116.97 115.19 2ddg h TYR 82 Ca -0.03 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 2ddg h TYR 82 Cb 0.38 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 2ddg h TYR 82 CO -0.00 0.37 0.17 -1.35 -1.05 0.00 0.00 178.16 176.30 2ddg h PRO 83 N 0.75 0.79 -0.29 4.88 0.11 -1.64 -2.25 132.00 134.35 2ddg h PRO 83 Ca 0.31 -0.14 -0.11 0.00 0.11 0.00 0.00 66.00 66.18 2ddg h PRO 83 Cb 0.16 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 2ddg h PRO 83 CO -0.17 0.68 -0.27 -0.07 -0.21 0.00 0.00 178.00 177.96 2ddg h LEU 84 N 0.77 0.58 -0.72 2.35 3.38 -1.47 0.08 115.31 120.29 2ddg h LEU 84 Ca 0.18 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2ddg h LEU 84 Cb 0.22 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2ddg h LEU 84 CO -0.01 0.83 0.45 -0.07 0.09 0.00 0.00 178.44 179.74 2ddg h LEU 85 N 0.50 0.86 -0.38 1.67 3.38 -0.75 -0.88 115.31 119.71 2ddg h LEU 85 Ca 0.07 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 2ddg h LEU 85 Cb 0.72 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2ddg h LEU 85 CO 0.06 0.65 -0.28 -0.74 0.09 0.00 0.00 178.44 178.22 2ddg h HIS 86 N 0.99 1.01 0.00 1.13 2.76 -1.05 0.19 115.15 120.17 2ddg h HIS 86 Ca 0.26 -0.28 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 2ddg h HIS 86 Cb -0.06 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 28.67 2ddg h HIS 86 CO -0.02 1.07 -0.05 0.93 -1.30 0.00 0.00 177.93 178.56 2ddg h GLU 87 N 0.67 0.00 -0.06 5.26 5.08 -0.62 -0.30 114.58 124.61 2ddg h GLU 87 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2ddg h GLU 87 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2ddg h GLU 87 CO 0.07 0.05 0.00 0.00 -1.00 0.00 0.00 179.01 178.14 2ddg n ALA 88 N -2.48 2.57 -2.14 3.43 0.00 -0.37 -4.92 120.51 116.60 2ddg n ALA 88 Ca -0.03 -0.43 -0.04 0.00 0.00 0.00 0.00 53.44 52.94 2ddg n ALA 88 Cb 0.14 -1.18 -0.00 0.00 0.00 0.00 0.00 19.45 18.40 2ddg n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ddg n GLY 89 N 1.13 0.25 0.61 0.00 0.00 -0.12 -4.97 105.19 102.08 2ddg n GLY 89 Ca 0.18 -0.70 0.07 0.00 0.00 0.00 0.00 46.02 45.57 2ddg n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ddg n LEU 90 N -0.67 3.15 -3.47 0.99 4.77 0.64 -4.87 117.00 117.54 2ddg n LEU 90 Ca -0.04 -2.53 -0.11 0.00 -0.03 0.00 0.00 56.01 53.30 2ddg n LEU 90 Cb 0.53 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 2ddg n LEU 90 CO 0.06 0.68 0.44 -0.94 -1.33 0.00 0.00 177.39 176.30 2ddg s SER 91 N -1.58 -0.52 0.32 -1.43 1.04 -1.25 -0.64 113.70 109.65 2ddg s SER 91 Ca 0.29 -0.06 0.12 0.00 0.48 0.00 0.00 55.95 56.78 2ddg s SER 91 Cb 0.21 0.59 0.51 0.00 0.10 0.00 0.00 66.02 67.43 2ddg s SER 91 CO 0.10 -0.96 1.70 0.77 0.98 0.00 0.00 173.24 175.82 2ddg h SER 92 N 2.00 0.00 -5.04 7.02 4.64 -1.10 -3.44 113.55 117.64 2ddg h SER 92 Ca -0.31 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.97 2ddg h SER 92 Cb 1.30 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.26 2ddg h SER 92 CO 0.36 0.51 0.07 -1.59 -0.87 0.00 0.00 176.83 175.31 2ddg s LYS 93 N -3.83 1.17 0.32 4.77 -2.85 -1.26 -4.98 119.74 113.08 2ddg s LYS 93 Ca -0.02 -0.58 0.01 0.00 -1.00 0.00 0.00 55.97 54.38 2ddg s LYS 93 Cb 0.13 0.53 0.52 0.00 -2.06 0.00 0.00 37.83 36.95 2ddg s LYS 93 CO 0.74 -0.49 1.92 -1.35 0.10 0.00 0.00 175.35 176.28 2ddg h PRO 94 N 2.19 0.83 -6.12 1.78 0.11 -1.90 -3.44 132.00 125.45 2ddg h PRO 94 Ca -0.34 -0.10 -0.53 0.00 0.11 0.00 0.00 66.00 65.14 2ddg h PRO 94 Cb 1.28 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 2ddg h PRO 94 CO 0.42 0.64 -0.48 -1.21 -0.21 0.00 0.00 178.00 177.16 2ddg s GLU 95 N -5.49 3.29 -0.21 1.05 0.41 -1.26 -2.70 118.70 113.78 2ddg s GLU 95 Ca -0.10 -0.72 0.01 0.00 -0.41 0.00 0.00 54.97 53.75 2ddg s GLU 95 Cb 0.17 -2.85 0.04 0.00 -1.78 0.00 0.00 34.13 29.71 2ddg s GLU 95 CO 0.78 0.49 -0.12 0.45 -0.49 0.00 0.00 175.26 176.37 2ddg s SER 96 N -3.40 3.68 -0.07 -0.19 0.15 -1.26 -4.90 113.70 107.70 2ddg s SER 96 Ca 0.34 -1.01 0.05 0.00 0.70 0.00 0.00 55.95 56.02 2ddg s SER 96 Cb -0.10 -1.36 -0.00 0.00 -1.71 0.00 0.00 66.02 62.84 2ddg s SER 96 CO 0.27 -0.14 -0.22 -0.76 1.20 0.00 0.00 173.24 173.59 2ddg s LEU 97 N 1.29 2.02 0.23 3.45 1.43 -1.26 -4.58 118.68 121.27 2ddg s LEU 97 Ca -0.03 -0.49 -0.31 0.00 -1.03 0.00 0.00 54.13 52.27 2ddg s LEU 97 Cb -0.17 -1.28 -0.13 0.00 0.03 0.00 0.00 46.19 44.63 2ddg s LEU 97 CO -0.08 0.18 1.43 -0.81 0.23 0.00 0.00 176.35 177.30 2ddg n PRO 98 N 3.25 2.06 -0.92 1.29 -0.04 -1.26 -1.12 135.00 138.27 2ddg n PRO 98 Ca -0.19 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 2ddg n PRO 98 Cb 0.52 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 2ddg n PRO 98 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ddg n GLY 99 N 2.27 0.88 2.27 0.55 0.00 -1.26 -5.04 105.19 104.85 2ddg n GLY 99 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 2ddg n GLY 99 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ddg n ASP 100 N 0.00 0.32 -1.97 1.61 5.68 -0.27 -5.00 116.55 116.92 2ddg n ASP 100 Ca 0.00 -1.42 -0.11 0.00 -0.50 0.00 0.00 54.79 52.76 2ddg n ASP 100 Cb 0.00 -0.52 0.26 0.00 -1.14 0.00 0.00 41.12 39.72 2ddg n ASP 100 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2ddg n ASP 101 N -3.30 4.28 -4.73 -1.12 5.68 -1.26 -5.01 116.55 111.09 2ddg n ASP 101 Ca 0.10 -3.39 -0.42 0.00 -0.50 0.00 0.00 54.79 50.58 2ddg n ASP 101 Cb 0.34 -0.76 -0.02 0.00 -1.14 0.00 0.00 41.12 39.54 2ddg n ASP 101 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2ddg n LEU 102 N -0.56 4.12 -4.20 -2.12 7.94 -1.26 -5.01 117.00 115.92 2ddg n LEU 102 Ca 0.46 1.12 -0.27 0.00 -1.11 0.00 0.00 56.01 56.21 2ddg n LEU 102 Cb 1.44 -1.57 -0.16 0.00 0.53 0.00 0.00 43.42 43.66 2ddg n LEU 102 CO 0.46 0.10 -0.52 -0.13 -1.11 0.00 0.00 177.39 176.19 2ddg s ARG 103 N 0.05 1.79 -0.10 1.96 1.81 -1.26 -4.99 118.95 118.21 2ddg s ARG 103 Ca 0.68 -0.71 -0.03 0.00 -1.72 0.00 0.00 55.73 53.95 2ddg s ARG 103 Cb -0.52 -1.64 -0.03 0.00 -0.45 0.00 0.00 34.95 32.30 2ddg s ARG 103 CO 0.43 0.37 0.04 -0.51 -0.68 0.00 0.00 175.30 174.95 2ddg s LEU 104 N -0.28 3.79 -0.39 2.53 1.43 -1.26 -0.38 118.68 124.11 2ddg s LEU 104 Ca 0.03 0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 53.30 2ddg s LEU 104 Cb -0.10 -1.88 0.08 0.00 0.03 0.00 0.00 46.19 44.32 2ddg s LEU 104 CO 0.01 0.38 0.18 -0.31 0.23 0.00 0.00 176.35 176.84 2ddg s TYR 105 N -0.89 3.42 0.00 0.29 2.02 0.19 -4.04 117.35 118.34 2ddg s TYR 105 Ca 0.13 -1.94 0.00 0.00 -0.37 0.00 0.00 57.07 54.89 2ddg s TYR 105 Cb -0.12 -2.87 0.00 0.00 -0.40 0.00 0.00 41.96 38.57 2ddg s TYR 105 CO 0.03 -0.89 0.00 0.41 -1.57 0.00 0.00 175.55 173.53 2ddg n GLY 106 N 4.73 0.73 3.15 0.71 0.00 -1.26 -4.71 105.19 108.53 2ddg n GLY 106 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 2ddg n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ddg s VAL 107 N -2.79 1.16 0.02 1.61 1.01 -1.26 -1.19 120.40 118.95 2ddg s VAL 107 Ca 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.06 2ddg s VAL 107 Cb 0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 2ddg s VAL 107 CO 0.00 0.07 -0.09 -0.47 0.00 0.00 0.00 175.10 174.61 2ddg s TYR 108 N -0.76 0.79 -0.05 5.22 6.14 -0.69 -1.20 117.35 126.81 2ddg s TYR 108 Ca 0.03 -0.27 0.06 0.00 0.64 0.00 0.00 57.07 57.53 2ddg s TYR 108 Cb -0.07 -0.49 -0.01 0.00 0.42 0.00 0.00 41.96 41.81 2ddg s TYR 108 CO 0.01 -0.02 -0.22 -0.51 0.64 0.00 0.00 175.55 175.45 2ddg s LEU 109 N -0.74 2.01 0.00 6.97 1.43 0.36 -1.56 118.68 127.15 2ddg s LEU 109 Ca -0.01 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 2ddg s LEU 109 Cb -0.06 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 44.96 2ddg s LEU 109 CO 0.00 0.22 0.00 1.07 0.23 0.00 0.00 176.35 177.87 2ddg n THR 110 N 2.95 0.00 -3.92 5.49 5.66 -1.07 -0.89 114.28 122.50 2ddg n THR 110 Ca -0.17 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.74 2ddg n THR 110 Cb 0.52 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.26 2ddg n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2ddg s ALA 111 N -1.00 -0.49 0.20 1.79 0.00 -1.26 -0.70 121.76 120.30 2ddg s ALA 111 Ca 0.00 -0.67 -0.10 0.00 0.00 0.00 0.00 51.96 51.19 2ddg s ALA 111 Cb 0.00 0.98 0.14 0.00 0.00 0.00 0.00 23.12 24.23 2ddg s ALA 111 CO 0.00 -0.85 1.80 0.00 0.00 0.00 0.00 175.76 176.71 2ddg h ALA 112 N 2.24 0.94 -4.21 0.00 0.00 -1.24 -3.43 119.26 113.56 2ddg h ALA 112 Ca -0.26 -0.14 -0.65 0.00 0.00 0.00 0.00 54.91 53.86 2ddg h ALA 112 Cb 1.25 -0.29 -0.26 0.00 0.00 0.00 0.00 17.79 18.49 2ddg h ALA 112 CO 0.35 0.49 -0.86 0.08 0.00 0.00 0.00 179.25 179.31 2ddg s VAL 113 N -5.74 1.93 -0.94 0.00 1.01 -0.79 -4.48 120.40 111.39 2ddg s VAL 113 Ca -0.13 -1.29 0.10 0.00 0.00 0.00 0.00 61.98 60.66 2ddg s VAL 113 Cb 0.15 -1.65 0.25 0.00 0.00 0.00 0.00 36.38 35.12 2ddg s VAL 113 CO 0.81 0.31 1.16 0.54 0.00 0.00 0.00 175.10 177.92 2ddg n ARG 114 N 1.85 2.43 -4.65 2.72 1.74 -1.26 -4.05 116.66 115.44 2ddg n ARG 114 Ca -0.17 -1.85 -0.23 0.00 -0.77 0.00 0.00 57.85 54.83 2ddg n ARG 114 Cb 0.52 -1.24 -0.15 0.00 -1.02 0.00 0.00 32.46 30.57 2ddg n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ddg n ALA 116 N 2.97 0.25 -2.77 0.00 0.00 -1.26 -4.42 120.51 115.28 2ddg n ALA 116 Ca -0.16 0.35 -0.32 0.00 0.00 0.00 0.00 53.44 53.30 2ddg n ALA 116 Cb 0.54 -2.33 -0.07 0.00 0.00 0.00 0.00 19.45 17.59 2ddg n ALA 116 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ddg s PRO 117 N 3.67 3.00 0.28 0.00 0.04 -1.26 -4.13 135.00 136.60 2ddg s PRO 117 Ca 0.96 -0.54 -0.30 0.00 0.04 0.00 0.00 61.00 61.16 2ddg s PRO 117 Cb -0.91 -2.81 -0.13 0.00 0.04 0.00 0.00 34.50 30.69 2ddg s PRO 117 CO 0.59 0.63 1.40 -2.30 0.04 0.00 0.00 177.00 177.37 2ddg n PRO 118 N 1.09 2.18 -1.43 0.56 -0.02 -1.26 -1.34 135.00 134.78 2ddg n PRO 118 Ca -0.12 0.77 -0.15 0.00 -2.02 0.00 0.00 63.50 61.98 2ddg n PRO 118 Cb 0.52 -2.43 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 2ddg n PRO 118 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2ddg n LYS 119 N 1.58 -1.61 -3.05 -0.52 4.76 -1.26 -1.65 118.16 116.41 2ddg n LYS 119 Ca 0.09 1.02 -0.22 0.00 -2.87 0.00 0.00 58.31 56.33 2ddg n LYS 119 Cb 0.34 -5.44 0.02 0.00 -1.84 0.00 0.00 35.03 28.11 2ddg n LYS 119 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2ddg n ASN 120 N -1.27 -5.41 -3.62 4.39 3.02 -0.45 -4.95 115.26 106.98 2ddg n ASN 120 Ca -0.15 -0.28 -0.29 0.00 -0.03 0.00 0.00 54.58 53.83 2ddg n ASN 120 Cb 0.63 -4.40 -0.14 0.00 -0.61 0.00 0.00 39.78 35.26 2ddg n ASN 120 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2ddg s LYS 121 N -5.72 0.73 0.58 3.52 2.47 -0.66 -5.00 119.74 115.66 2ddg s LYS 121 Ca 0.30 -1.29 -0.16 0.00 -1.56 0.00 0.00 55.97 53.27 2ddg s LYS 121 Cb -0.14 -1.75 -0.04 0.00 -1.46 0.00 0.00 37.83 34.43 2ddg s LYS 121 CO 0.37 -1.10 1.04 -1.25 0.16 0.00 0.00 175.35 174.57 2ddg s PRO 122 N 1.23 3.47 0.62 4.03 0.04 -1.26 -4.63 135.00 138.49 2ddg s PRO 122 Ca 0.14 1.12 -0.09 0.00 0.04 0.00 0.00 61.00 62.21 2ddg s PRO 122 Cb -0.20 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 2ddg s PRO 122 CO -0.14 -0.68 0.97 0.95 0.04 0.00 0.00 177.00 178.15 2ddg s THR 123 N -2.55 4.04 0.41 1.26 -4.23 -1.26 -4.88 115.64 108.43 2ddg s THR 123 Ca 0.62 0.38 0.12 0.00 -1.18 0.00 0.00 61.69 61.64 2ddg s THR 123 Cb -0.14 -3.62 0.33 0.00 1.34 0.00 0.00 72.50 70.40 2ddg s THR 123 CO 0.37 -0.73 1.94 -0.65 -0.54 0.00 0.00 174.62 175.01 2ddg h PRO 124 N -0.30 0.50 -0.28 3.99 0.11 -1.99 -1.32 132.00 132.71 2ddg h PRO 124 Ca -0.45 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.47 2ddg h PRO 124 Cb 1.23 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2ddg h PRO 124 CO 0.62 0.33 -0.45 1.49 -0.21 0.00 0.00 178.00 179.78 2ddg h GLU 125 N 0.52 0.71 -0.16 1.05 4.81 -1.99 -1.83 114.58 117.69 2ddg h GLU 125 Ca 0.34 -0.40 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 2ddg h GLU 125 Cb 0.61 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2ddg h GLU 125 CO -0.11 1.02 -0.39 0.93 -0.73 0.00 0.00 179.01 179.73 2ddg h GLU 126 N 0.57 0.35 -0.50 1.92 5.08 -1.66 -1.72 114.58 118.63 2ddg h GLU 126 Ca 0.04 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 2ddg h GLU 126 Cb 1.00 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2ddg h GLU 126 CO 0.09 0.69 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.70 2ddg h LEU 127 N 0.30 0.89 -0.92 1.33 3.38 -1.10 -1.86 115.31 117.32 2ddg h LEU 127 Ca 0.03 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 2ddg h LEU 127 Cb 0.82 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2ddg h LEU 127 CO 0.07 1.00 0.08 0.03 0.09 0.00 0.00 178.44 179.70 2ddg h ARG 128 N 0.77 0.87 0.15 1.13 3.08 -1.04 -1.40 114.38 117.94 2ddg h ARG 128 Ca 0.14 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 2ddg h ARG 128 Cb 0.55 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2ddg h ARG 128 CO 0.03 0.82 -0.07 0.00 -1.07 0.00 0.00 179.97 179.68 2ddg h ALA 129 N 1.26 -0.20 0.00 0.04 0.00 -1.12 -3.14 119.26 116.10 2ddg h ALA 129 Ca 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ddg h ALA 129 Cb 0.38 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2ddg h ALA 129 CO 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 178.82 2ddg h ALA 131 N 2.21 1.38 -0.16 0.00 0.00 -1.19 0.93 119.26 122.42 2ddg h ALA 131 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2ddg h ALA 131 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2ddg h ALA 131 CO 0.00 -0.02 -0.33 0.07 0.00 0.00 0.00 179.25 178.97 2ddg h ARG 132 N 0.00 0.32 0.00 0.00 0.11 -1.63 -2.21 114.38 110.97 2ddg h ARG 132 Ca 0.00 -0.13 -0.18 0.00 0.10 0.00 0.00 59.98 59.78 2ddg h ARG 132 Cb 0.03 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.07 2ddg h ARG 132 CO -0.00 0.62 -0.83 -1.49 0.10 0.00 0.00 179.97 178.37 2ddg h TRP 133 N 0.28 0.04 -0.32 4.08 4.06 -1.03 -2.79 115.95 120.28 2ddg h TRP 133 Ca 0.03 -0.02 -0.06 0.00 2.06 0.00 0.00 58.89 60.90 2ddg h TRP 133 Cb 0.72 -0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.86 2ddg h TRP 133 CO 0.02 0.84 -0.07 1.15 -3.56 0.00 0.00 178.44 176.81 2ddg h THR 134 N 0.02 1.22 -0.32 1.49 2.02 -1.05 0.21 112.91 116.49 2ddg h THR 134 Ca -0.01 -0.92 -0.06 0.00 0.77 0.00 0.00 66.41 66.19 2ddg h THR 134 Cb 1.45 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 2ddg h THR 134 CO 0.11 0.31 -0.01 -0.33 0.37 0.00 0.00 175.52 175.96 2ddg h GLU 135 N 0.48 0.58 -0.08 6.66 4.39 -1.24 -0.65 114.58 124.73 2ddg h GLU 135 Ca 0.10 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 2ddg h GLU 135 Cb 0.43 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2ddg h GLU 135 CO 0.02 0.72 -0.02 0.28 -1.16 0.00 0.00 179.01 178.85 2ddg h VAL 136 N 0.38 1.30 0.09 3.13 2.07 -1.18 -1.59 116.25 120.44 2ddg h VAL 136 Ca 0.09 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 2ddg h VAL 136 Cb 0.47 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 2ddg h VAL 136 CO 0.02 0.26 -0.04 -0.08 0.02 0.00 0.00 177.57 177.75 2ddg h GLU 137 N -0.18 -0.11 0.00 1.57 4.81 -0.58 -2.15 114.58 117.93 2ddg h GLU 137 Ca 0.02 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2ddg h GLU 137 Cb 0.43 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 2ddg h GLU 137 CO 0.01 0.05 -0.14 -0.07 -0.73 0.00 0.00 179.01 178.13 2ddg h LEU 138 N -0.26 0.00 -1.75 1.64 3.38 -1.20 0.50 115.31 117.63 2ddg h LEU 138 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2ddg h LEU 138 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2ddg h LEU 138 CO 0.02 0.14 -0.11 1.23 0.09 0.00 0.00 178.44 179.81 2ddg h GLY 139 N 0.98 0.00 -1.54 0.83 0.00 -0.66 -1.76 103.07 100.92 2ddg h GLY 139 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ddg h GLY 139 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.60 2ddg n LEU 140 N -3.41 2.46 -3.57 3.11 4.77 0.16 -4.48 117.00 116.04 2ddg n LEU 140 Ca -0.01 -1.11 -0.27 0.00 -0.03 0.00 0.00 56.01 54.59 2ddg n LEU 140 Cb 0.28 -0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.06 2ddg n LEU 140 CO 0.29 0.56 0.04 0.18 -1.33 0.00 0.00 177.39 177.12 2ddg n LEU 141 N 0.84 3.46 0.26 2.23 4.77 -0.66 -4.93 117.00 122.97 2ddg n LEU 141 Ca 0.17 -5.36 0.10 0.00 -0.03 0.00 0.00 56.01 50.89 2ddg n LEU 141 Cb 0.43 -0.67 0.70 0.00 -2.33 0.00 0.00 43.42 41.54 2ddg n LEU 141 CO 0.13 1.96 1.02 1.55 -1.33 0.00 0.00 177.39 180.72 2ddg h PRO 142 N 4.57 0.00 -0.01 3.23 0.13 -1.78 -3.15 132.00 134.98 2ddg h PRO 142 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2ddg h PRO 142 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 2ddg h PRO 142 CO 0.79 0.07 -0.14 0.39 -0.23 0.00 0.00 178.00 178.88 2ddg n GLU 143 N -4.13 1.38 -1.78 0.86 -0.58 -1.26 -4.95 120.64 110.19 2ddg n GLU 143 Ca -0.03 -0.89 -0.42 0.00 -0.42 0.00 0.00 57.16 55.41 2ddg n GLU 143 Cb 0.15 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.51 2ddg n GLU 143 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2ddg s VAL 144 N -2.23 2.37 -0.04 2.62 1.01 -0.69 -4.15 120.40 119.28 2ddg s VAL 144 Ca 0.30 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.48 2ddg s VAL 144 Cb 0.20 -3.09 -0.08 0.00 0.00 0.00 0.00 36.38 33.41 2ddg s VAL 144 CO 0.42 0.01 0.06 0.54 0.00 0.00 0.00 175.10 176.13 2ddg n ARG 145 N 4.64 2.04 -4.07 2.72 1.74 0.15 -4.97 116.66 118.90 2ddg n ARG 145 Ca 0.16 -0.02 -0.28 0.00 -0.77 0.00 0.00 57.85 56.94 2ddg n ARG 145 Cb 0.37 -1.15 -0.17 0.00 -1.02 0.00 0.00 32.46 30.49 2ddg n ARG 145 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2ddg s VAL 146 N -2.25 1.33 -0.27 1.55 1.01 -0.31 -0.58 120.40 120.88 2ddg s VAL 146 Ca -0.03 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 2ddg s VAL 146 Cb 0.03 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 2ddg s VAL 146 CO 0.26 0.42 0.12 -0.31 0.00 0.00 0.00 175.10 175.58 2ddg s TYR 147 N 1.46 3.14 -0.32 5.22 1.51 -0.10 -0.88 117.35 127.38 2ddg s TYR 147 Ca 0.02 -0.35 -0.08 0.00 -1.01 0.00 0.00 57.07 55.66 2ddg s TYR 147 Cb -0.13 -2.30 0.01 0.00 -0.11 0.00 0.00 41.96 39.43 2ddg s TYR 147 CO -0.08 -0.34 0.12 0.08 -1.11 0.00 0.00 175.55 174.22 2ddg s VAL 148 N 1.65 4.18 -0.20 0.71 1.01 0.12 -0.97 120.40 126.89 2ddg s VAL 148 Ca 0.06 -0.72 -0.25 0.00 0.00 0.00 0.00 61.98 61.07 2ddg s VAL 148 Cb -0.16 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 2ddg s VAL 148 CO 0.06 -0.01 0.84 0.00 0.00 0.00 0.00 175.10 175.99 2ddg s ALA 149 N 1.52 3.58 -0.81 5.51 0.00 0.45 -0.20 121.76 131.82 2ddg s ALA 149 Ca 0.02 -0.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.78 2ddg s ALA 149 Cb -0.18 -3.27 0.16 0.00 0.00 0.00 0.00 23.12 19.84 2ddg s ALA 149 CO 0.04 -0.79 0.87 -0.51 0.00 0.00 0.00 175.76 175.38 2ddg s LEU 150 N 2.49 5.90 0.00 0.00 1.43 0.28 -1.37 118.68 127.41 2ddg s LEU 150 Ca 0.37 -2.21 0.00 0.00 -1.03 0.00 0.00 54.13 51.26 2ddg s LEU 150 Cb -0.16 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.77 2ddg s LEU 150 CO 0.10 -0.85 0.00 0.61 0.23 0.00 0.00 176.35 176.44 2ddg n GLY 151 N 4.78 1.59 0.12 -3.19 0.00 0.10 -4.36 105.19 104.23 2ddg n GLY 151 Ca 0.12 -1.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.11 2ddg n GLY 151 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2ddg h ARG 152 N 0.00 0.20 -0.70 1.61 9.65 -1.91 -2.01 114.38 121.22 2ddg h ARG 152 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2ddg h ARG 152 Cb 0.00 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.50 2ddg h ARG 152 CO 0.00 0.13 0.44 0.82 2.80 0.00 0.00 179.97 184.17 2ddg h ILE 153 N 0.21 1.19 -0.55 1.20 1.08 -1.98 -1.71 117.51 116.95 2ddg h ILE 153 Ca 0.11 -0.39 -0.02 0.00 -0.39 0.00 0.00 64.86 64.17 2ddg h ILE 153 Cb 0.07 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 33.99 2ddg h ILE 153 CO -0.11 0.19 0.25 0.00 -0.69 0.00 0.00 178.15 177.79 2ddg h ALA 154 N 1.24 0.71 0.15 1.87 0.00 -1.72 -1.85 119.26 119.67 2ddg h ALA 154 Ca 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2ddg h ALA 154 Cb -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2ddg h ALA 154 CO -0.05 0.30 -0.07 1.25 0.00 0.00 0.00 179.25 180.67 2ddg h LEU 155 N 0.75 -0.18 -1.56 0.00 5.85 -1.03 -1.34 115.31 117.81 2ddg h LEU 155 Ca 0.19 -0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.92 2ddg h LEU 155 Cb 0.15 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 2ddg h LEU 155 CO -0.02 -0.03 0.42 -0.33 -0.34 0.00 0.00 178.44 178.14 2ddg h GLU 156 N -0.31 0.50 -0.43 1.25 5.08 -1.25 0.22 114.58 119.65 2ddg h GLU 156 Ca -0.02 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 2ddg h GLU 156 Cb 0.24 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2ddg h GLU 156 CO 0.03 0.33 -0.07 0.00 -1.00 0.00 0.00 179.01 178.31 2ddg h ALA 157 N 1.67 0.58 -0.27 3.43 0.00 -0.93 -1.66 119.26 122.08 2ddg h ALA 157 Ca 0.29 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2ddg h ALA 157 Cb 0.45 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2ddg h ALA 157 CO -0.09 0.43 -0.37 -0.07 0.00 0.00 0.00 179.25 179.15 2ddg h LEU 158 N 0.62 0.64 -0.42 0.00 3.38 -0.04 -1.39 115.31 118.10 2ddg h LEU 158 Ca 0.11 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2ddg h LEU 158 Cb 0.59 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2ddg h LEU 158 CO 0.04 0.95 0.25 -0.07 0.09 0.00 0.00 178.44 179.69 2ddg h LEU 159 N 0.50 0.51 -0.56 1.67 3.38 -0.45 0.51 115.31 120.88 2ddg h LEU 159 Ca 0.05 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2ddg h LEU 159 Cb 0.87 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2ddg h LEU 159 CO 0.08 0.42 0.37 0.00 0.09 0.00 0.00 178.44 179.40 2ddg h ALA 160 N 1.11 0.71 -0.40 1.53 0.00 -1.13 0.20 119.26 121.28 2ddg h ALA 160 Ca 0.15 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2ddg h ALA 160 Cb 0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 2ddg h ALA 160 CO -0.03 0.14 0.11 1.25 0.00 0.00 0.00 179.25 180.73 2ddg h HIS 161 N 0.75 0.20 -0.23 0.00 -0.00 -0.48 -1.95 115.15 113.45 2ddg h HIS 161 Ca 0.21 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.60 2ddg h HIS 161 Cb -0.08 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.30 2ddg h HIS 161 CO -0.04 0.06 0.00 1.19 -0.00 0.00 0.00 177.93 179.14 2ddg n PHE 162 N -5.05 0.30 -3.65 5.26 3.72 0.10 -4.92 117.46 113.22 2ddg n PHE 162 Ca 0.02 -0.15 -0.24 0.00 -0.05 0.00 0.00 57.45 57.03 2ddg n PHE 162 Cb 0.16 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.77 2ddg n PHE 162 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ddg n GLY 163 N 0.98 -0.49 3.77 1.37 0.00 0.05 -5.00 105.19 105.88 2ddg n GLY 163 Ca 0.12 0.21 -0.27 0.00 0.00 0.00 0.00 46.02 46.08 2ddg n GLY 163 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ddg s LEU 164 N -7.12 3.72 -0.01 0.99 1.43 0.48 -5.02 118.68 113.16 2ddg s LEU 164 Ca 0.48 -0.16 -0.21 0.00 -1.03 0.00 0.00 54.13 53.21 2ddg s LEU 164 Cb -0.22 -2.35 -0.05 0.00 0.03 0.00 0.00 46.19 43.60 2ddg s LEU 164 CO 0.76 0.08 0.62 -0.13 0.23 0.00 0.00 176.35 177.91 2ddg s ARG 165 N -3.00 4.35 0.21 1.70 1.81 -1.26 -4.50 118.95 118.26 2ddg s ARG 165 Ca 0.30 0.78 -0.09 0.00 -1.72 0.00 0.00 55.73 54.99 2ddg s ARG 165 Cb -0.10 -3.36 0.19 0.00 -0.45 0.00 0.00 34.95 31.24 2ddg s ARG 165 CO 0.22 0.33 1.87 0.87 -0.68 0.00 0.00 175.30 177.91 2ddg h LYS 166 N 5.76 0.95 -0.89 3.54 1.57 -1.97 -2.43 116.57 123.09 2ddg h LYS 166 Ca -0.45 -0.06 0.12 0.00 -1.87 0.00 0.00 60.65 58.39 2ddg h LYS 166 Cb 1.20 -0.21 -0.07 0.00 0.08 0.00 0.00 32.23 33.23 2ddg h LYS 166 CO 0.70 0.63 0.57 0.66 -0.57 0.00 0.00 179.45 181.44 2ddg h SER 167 N 0.97 0.74 0.69 0.86 4.64 -2.01 -0.86 113.55 118.58 2ddg h SER 167 Ca 0.29 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 2ddg h SER 167 Cb -0.04 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 2ddg h SER 167 CO -0.09 0.41 -0.42 0.00 -0.87 0.00 0.00 176.83 175.86 2ddg n ALA 168 N -2.42 3.16 -3.42 5.18 0.00 -1.01 -4.48 120.51 117.54 2ddg n ALA 168 Ca 0.16 -0.27 -0.26 0.00 0.00 0.00 0.00 53.44 53.06 2ddg n ALA 168 Cb 0.37 -1.21 -0.09 0.00 0.00 0.00 0.00 19.45 18.53 2ddg n ALA 168 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2ddg n HIS 169 N -1.64 0.74 -1.68 0.00 8.25 -0.33 -5.05 115.22 115.51 2ddg n HIS 169 Ca 0.05 -3.70 -0.33 0.00 -0.26 0.00 0.00 57.72 53.48 2ddg n HIS 169 Cb 0.36 -0.22 0.05 0.00 1.12 0.00 0.00 29.99 31.30 2ddg n HIS 169 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2ddg s PRO 170 N -1.03 2.70 -0.25 -0.41 0.04 -1.19 -4.76 135.00 130.10 2ddg s PRO 170 Ca 0.33 1.38 -0.21 0.00 0.04 0.00 0.00 61.00 62.55 2ddg s PRO 170 Cb 0.09 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.67 2ddg s PRO 170 CO -0.13 -1.33 0.66 0.12 0.04 0.00 0.00 177.00 176.35 2ddg s PHE 171 N -2.39 3.28 -0.19 0.56 2.19 -1.26 -4.99 117.98 115.19 2ddg s PHE 171 Ca 0.67 0.86 -0.17 0.00 0.33 0.00 0.00 56.93 58.62 2ddg s PHE 171 Cb -0.20 -2.87 0.05 0.00 -1.31 0.00 0.00 43.02 38.68 2ddg s PHE 171 CO 0.43 -0.34 0.50 -0.98 1.83 0.00 0.00 175.22 176.66 2ddg s ARG 172 N 2.56 0.57 0.20 10.12 1.70 -1.26 -5.07 118.95 127.76 2ddg s ARG 172 Ca 0.27 0.72 -0.33 0.00 -0.47 0.00 0.00 55.73 55.93 2ddg s ARG 172 Cb -0.15 0.25 -0.13 0.00 -0.57 0.00 0.00 34.95 34.35 2ddg s ARG 172 CO 0.08 -0.08 1.62 1.58 -1.08 0.00 0.00 175.30 177.42 2ddg n HIS 173 N 3.00 2.50 0.00 5.89 -0.00 -1.26 -1.47 115.22 123.88 2ddg n HIS 173 Ca -0.15 0.20 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 2ddg n HIS 173 Cb 0.56 -2.59 0.00 0.00 -0.00 0.00 0.00 29.99 27.96 2ddg n HIS 173 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2ddg n GLY 174 N 3.38 1.59 3.73 1.57 0.00 -0.31 -4.99 105.19 110.16 2ddg n GLY 174 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2ddg n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ddg n ALA 175 N -1.38 1.75 -3.72 4.61 0.00 -0.54 -4.80 120.51 116.43 2ddg n ALA 175 Ca 0.00 0.30 -0.20 0.00 0.00 0.00 0.00 53.44 53.54 2ddg n ALA 175 Cb 0.00 -2.33 -0.17 0.00 0.00 0.00 0.00 19.45 16.95 2ddg n ALA 175 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2ddg s HIS 176 N -1.15 0.38 0.06 0.00 -3.43 -1.26 -1.33 115.29 108.56 2ddg s HIS 176 Ca 0.58 0.01 0.08 0.00 -0.80 0.00 0.00 55.06 54.93 2ddg s HIS 176 Cb -0.50 -0.57 -0.03 0.00 -1.43 0.00 0.00 32.58 30.05 2ddg s HIS 176 CO 0.60 -0.22 -0.22 0.71 -2.00 0.00 0.00 174.74 173.62 2ddg s TYR 177 N 1.67 1.93 0.40 0.38 2.02 0.51 -4.98 117.35 119.29 2ddg s TYR 177 Ca -0.01 -0.39 -0.23 0.00 -0.37 0.00 0.00 57.07 56.08 2ddg s TYR 177 Cb -0.13 -1.13 -0.11 0.00 -0.40 0.00 0.00 41.96 40.20 2ddg s TYR 177 CO -0.03 0.14 0.95 -1.25 -1.57 0.00 0.00 175.55 173.79 2ddg s PRO 178 N -1.40 4.32 0.16 -1.71 0.04 -1.26 -0.57 135.00 134.58 2ddg s PRO 178 Ca 0.08 1.20 0.06 0.00 0.04 0.00 0.00 61.00 62.38 2ddg s PRO 178 Cb -0.09 -2.37 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 2ddg s PRO 178 CO 0.03 0.04 -0.13 -0.51 0.04 0.00 0.00 177.00 176.47 2ddg s LEU 179 N -2.85 2.51 0.35 -3.56 1.43 -0.47 -4.82 118.68 111.26 2ddg s LEU 179 Ca 0.59 -0.96 -0.27 0.00 -1.03 0.00 0.00 54.13 52.46 2ddg s LEU 179 Cb -0.12 -0.55 -0.12 0.00 0.03 0.00 0.00 46.19 45.42 2ddg s LEU 179 CO 0.17 -0.21 1.15 -2.65 0.23 0.00 0.00 176.35 175.04 2ddg n PRO 180 N -0.06 1.72 -1.74 1.29 -0.02 -1.26 -2.44 135.00 132.48 2ddg n PRO 180 Ca -0.11 0.61 -0.01 0.00 -2.02 0.00 0.00 63.50 61.97 2ddg n PRO 180 Cb 0.59 -2.12 -0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2ddg n PRO 180 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ddg n GLY 181 N 0.99 0.37 2.39 -1.23 0.00 -1.26 -3.63 105.19 102.82 2ddg n GLY 181 Ca 0.07 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 2ddg n GLY 181 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ddg n GLY 182 N -1.52 1.40 3.96 -0.02 0.00 -1.17 -5.01 105.19 102.84 2ddg n GLY 182 Ca -0.01 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 2ddg n GLY 182 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ddg s ARG 183 N -3.13 1.68 0.02 1.61 0.52 -1.02 -4.92 118.95 113.72 2ddg s ARG 183 Ca 0.00 -0.70 0.01 0.00 -0.52 0.00 0.00 55.73 54.52 2ddg s ARG 183 Cb 0.00 -2.20 -0.02 0.00 0.52 0.00 0.00 34.95 33.25 2ddg s ARG 183 CO 0.00 -1.52 -0.04 -1.01 0.02 0.00 0.00 175.30 172.74 2ddg s HIS 184 N -3.29 0.39 -0.22 -0.53 3.76 0.25 -1.37 115.29 114.28 2ddg s HIS 184 Ca 0.65 -0.41 0.02 0.00 -0.15 0.00 0.00 55.06 55.17 2ddg s HIS 184 Cb -0.07 -0.25 0.04 0.00 1.11 0.00 0.00 32.58 33.41 2ddg s HIS 184 CO 0.46 -0.11 -0.15 -1.17 -0.85 0.00 0.00 174.74 172.91 2ddg s LEU 185 N -1.19 2.73 -0.02 0.89 2.96 0.27 -0.92 118.68 123.39 2ddg s LEU 185 Ca -0.10 -1.01 0.03 0.00 -0.22 0.00 0.00 54.13 52.83 2ddg s LEU 185 Cb -0.08 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 2ddg s LEU 185 CO -0.00 -0.10 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.07 2ddg s LEU 186 N 1.21 2.98 -0.04 -0.68 1.43 -0.15 -0.36 118.68 123.07 2ddg s LEU 186 Ca -0.02 -0.16 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 2ddg s LEU 186 Cb -0.16 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 2ddg s LEU 186 CO -0.09 0.32 -0.14 0.00 0.23 0.00 0.00 176.35 176.66 2ddg s ALA 187 N -0.87 2.67 0.04 4.21 0.00 -0.44 -0.41 121.76 126.97 2ddg s ALA 187 Ca 0.14 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 2ddg s ALA 187 Cb -0.11 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 2ddg s ALA 187 CO 0.04 0.56 0.03 0.45 0.00 0.00 0.00 175.76 176.84 2ddg s SER 188 N -0.82 0.30 0.63 0.00 0.15 -0.47 -1.16 113.70 112.32 2ddg s SER 188 Ca 0.12 -0.72 -0.17 0.00 0.70 0.00 0.00 55.95 55.88 2ddg s SER 188 Cb -0.11 0.20 -0.02 0.00 -1.71 0.00 0.00 66.02 64.39 2ddg s SER 188 CO 0.01 -0.53 1.18 -0.31 1.20 0.00 0.00 173.24 174.80 2ddg s TYR 189 N -3.02 2.38 0.68 3.44 2.02 -1.26 0.00 117.35 121.59 2ddg s TYR 189 Ca -0.01 1.54 -0.15 0.00 -0.37 0.00 0.00 57.07 58.08 2ddg s TYR 189 Cb 0.01 -3.41 0.01 0.00 -0.40 0.00 0.00 41.96 38.18 2ddg s TYR 189 CO -0.07 -2.14 1.13 -1.58 -1.57 0.00 0.00 175.55 171.32 2ddg s HIS 190 N -1.82 2.50 -2.01 2.71 5.65 -1.26 -4.28 115.29 116.78 2ddg s HIS 190 Ca 0.74 1.57 0.06 0.00 0.25 0.00 0.00 55.06 57.68 2ddg s HIS 190 Cb -0.28 -3.22 0.32 0.00 -1.18 0.00 0.00 32.58 28.22 2ddg s HIS 190 CO 0.36 -1.88 1.21 1.33 -0.65 0.00 0.00 174.74 175.12 2ddg n VAL 191 N -2.55 0.03 -1.57 0.89 0.24 -1.26 -4.72 118.33 109.39 2ddg n VAL 191 Ca 0.11 -0.04 -0.39 0.00 -2.04 0.00 0.00 64.34 61.98 2ddg n VAL 191 Cb 0.52 -0.05 0.03 0.00 -1.47 0.00 0.00 33.84 32.87 2ddg n VAL 191 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2ddg n SER 192 N -0.49 0.36 -0.03 -1.34 2.88 -1.26 -4.45 113.62 109.28 2ddg n SER 192 Ca 0.05 0.86 0.16 0.00 -1.33 0.00 0.00 58.87 58.60 2ddg n SER 192 Cb 0.04 -1.31 0.60 0.00 -0.75 0.00 0.00 64.21 62.79 2ddg n SER 192 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2ddg h ARG 193 N 0.74 0.19 0.00 -1.46 2.43 -1.92 0.29 114.38 114.65 2ddg h ARG 193 Ca -0.46 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.69 2ddg h ARG 193 Cb 1.37 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.87 2ddg h ARG 193 CO 0.52 0.12 -0.03 1.96 -1.51 0.00 0.00 179.97 181.02 2ddg h GLN 194 N 0.19 0.00 0.00 0.20 4.20 -1.96 -1.25 115.11 116.50 2ddg h GLN 194 Ca 0.26 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.57 2ddg h GLN 194 Cb 0.77 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.48 2ddg h GLN 194 CO -0.04 0.03 -2.47 0.09 -0.67 0.00 0.00 178.83 175.77 2ddg n ASN 195 N -3.39 2.00 0.09 1.46 5.03 0.91 -4.18 115.26 117.19 2ddg n ASN 195 Ca -0.02 -0.02 -0.17 0.00 0.87 0.00 0.00 54.58 55.24 2ddg n ASN 195 Cb 0.16 -0.50 -0.11 0.00 -1.02 0.00 0.00 39.78 38.31 2ddg n ASN 195 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 2ddg h THR 196 N -0.24 1.42 0.00 3.41 1.35 -1.18 -0.41 112.91 117.26 2ddg h THR 196 Ca -0.60 -2.73 -0.04 0.00 -0.55 0.00 0.00 66.41 62.49 2ddg h THR 196 Cb 1.81 2.73 -0.01 0.00 -1.73 0.00 0.00 68.15 70.96 2ddg h THR 196 CO -0.17 0.81 -0.25 -0.61 -0.25 0.00 0.00 175.52 175.05 2ddg h GLN 197 N 0.16 0.00 0.00 4.72 4.15 -1.46 -3.20 115.11 119.48 2ddg h GLN 197 Ca -0.13 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.29 2ddg h GLN 197 Cb 1.84 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.53 2ddg h GLN 197 CO 0.20 0.17 -0.49 0.25 -1.93 0.00 0.00 178.83 177.03 2ddg n THR 198 N -3.12 0.03 -0.30 2.39 -2.24 -1.24 -4.96 114.28 104.85 2ddg n THR 198 Ca 0.03 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2ddg n THR 198 Cb 0.61 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 2ddg n THR 198 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ddg n GLY 199 N 1.49 0.71 0.17 3.38 0.00 -1.12 -4.94 105.19 104.88 2ddg n GLY 199 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 2ddg n GLY 199 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2ddg h ARG 200 N 4.20 0.16 -4.01 1.61 2.43 -1.42 -3.41 114.38 113.94 2ddg h ARG 200 Ca 0.00 -0.09 -0.52 0.00 -0.81 0.00 0.00 59.98 58.56 2ddg h ARG 200 Cb 0.00 0.01 -0.38 0.00 -0.42 0.00 0.00 29.97 29.18 2ddg h ARG 200 CO 0.00 0.64 -0.79 -1.17 -1.51 0.00 0.00 179.97 177.14 2ddg s LEU 201 N -7.99 1.31 0.35 3.80 2.96 -0.47 -5.01 118.68 113.63 2ddg s LEU 201 Ca -0.03 -0.52 0.07 0.00 -0.22 0.00 0.00 54.13 53.42 2ddg s LEU 201 Cb 0.13 -0.78 -0.01 0.00 0.50 0.00 0.00 46.19 46.03 2ddg s LEU 201 CO 0.77 -0.19 0.49 0.42 -1.32 0.00 0.00 176.35 176.52 2ddg s THR 202 N 1.73 3.86 0.26 3.68 -4.23 -1.26 -3.84 115.64 115.84 2ddg s THR 202 Ca 0.02 -1.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.49 2ddg s THR 202 Cb -0.14 -3.33 0.26 0.00 1.34 0.00 0.00 72.50 70.63 2ddg s THR 202 CO -0.07 -0.13 1.90 0.03 -0.54 0.00 0.00 174.62 175.81 2ddg h ARG 203 N 0.85 1.22 -0.41 3.99 3.08 -1.99 -1.57 114.38 119.54 2ddg h ARG 203 Ca -0.45 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.53 2ddg h ARG 203 Cb 1.26 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 2ddg h ARG 203 CO 0.51 0.80 0.23 1.49 -1.07 0.00 0.00 179.97 181.94 2ddg h GLU 204 N 1.25 0.57 -0.48 0.04 4.81 -1.99 -0.51 114.58 118.28 2ddg h GLU 204 Ca 0.40 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.55 2ddg h GLU 204 Cb 0.02 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2ddg h GLU 204 CO -0.13 0.44 0.21 0.52 -0.73 0.00 0.00 179.01 179.32 2ddg h MET 205 N 0.53 0.70 -0.17 1.92 2.86 -1.81 -2.15 114.93 116.82 2ddg h MET 205 Ca 0.15 -0.12 -0.19 0.00 -2.06 0.00 0.00 59.70 57.48 2ddg h MET 205 Cb 0.03 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.58 2ddg h MET 205 CO -0.02 0.62 -0.67 0.35 1.06 0.00 0.00 176.91 178.25 2ddg h PHE 206 N 0.63 0.87 -0.68 -0.22 3.57 -1.15 -2.20 116.94 117.75 2ddg h PHE 206 Ca 0.16 -0.35 -0.00 0.00 3.53 0.00 0.00 57.97 61.31 2ddg h PHE 206 Cb 0.16 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 2ddg h PHE 206 CO -0.00 1.14 0.42 1.25 -2.23 0.00 0.00 178.31 178.89 2ddg h LEU 207 N 0.48 0.80 -0.64 0.59 5.85 -1.05 -1.05 115.31 120.30 2ddg h LEU 207 Ca -0.02 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2ddg h LEU 207 Cb 1.26 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 2ddg h LEU 207 CO 0.13 0.61 0.42 -0.08 -0.34 0.00 0.00 178.44 179.18 2ddg h GLU 208 N 0.93 0.85 -0.40 1.25 4.57 -1.11 0.83 114.58 121.50 2ddg h GLU 208 Ca 0.25 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.38 2ddg h GLU 208 Cb -0.05 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.33 2ddg h GLU 208 CO -0.05 0.57 0.26 0.28 -1.18 0.00 0.00 179.01 178.89 2ddg h VAL 209 N 0.87 1.08 -0.59 0.32 2.07 -0.61 -0.30 116.25 119.09 2ddg h VAL 209 Ca 0.23 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 2ddg h VAL 209 Cb -0.09 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 2ddg h VAL 209 CO -0.05 0.10 0.33 -0.07 0.02 0.00 0.00 177.57 177.90 2ddg h LEU 210 N 0.52 0.73 -0.98 2.57 3.38 -0.62 0.28 115.31 121.20 2ddg h LEU 210 Ca 0.15 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2ddg h LEU 210 Cb -0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2ddg h LEU 210 CO -0.05 0.61 0.04 0.24 0.09 0.00 0.00 178.44 179.37 2ddg h MET 211 N 0.80 0.78 -0.41 1.13 2.86 -0.51 -0.90 114.93 118.68 2ddg h MET 211 Ca 0.21 -0.19 -0.13 0.00 -2.06 0.00 0.00 59.70 57.53 2ddg h MET 211 Cb 0.03 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 2ddg h MET 211 CO -0.04 0.76 -0.28 1.49 1.06 0.00 0.00 176.91 179.91 2ddg h GLU 212 N 0.74 0.87 -0.54 1.72 4.57 -0.60 -1.31 114.58 120.03 2ddg h GLU 212 Ca 0.15 -0.39 -0.07 0.00 -1.18 0.00 0.00 59.36 57.87 2ddg h GLU 212 Cb 0.40 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.94 2ddg h GLU 212 CO 0.01 1.03 0.05 0.00 -1.18 0.00 0.00 179.01 178.93 2ddg h ALA 213 N 0.94 1.08 -0.44 2.92 0.00 -0.54 -0.59 119.26 122.63 2ddg h ALA 213 Ca 0.09 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 2ddg h ALA 213 Cb 0.83 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2ddg h ALA 213 CO 0.07 0.59 0.08 0.87 0.00 0.00 0.00 179.25 180.86 2ddg h LYS 214 N 0.82 0.72 0.19 0.00 1.57 -0.91 -0.73 116.57 118.24 2ddg h LYS 214 Ca 0.17 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2ddg h LYS 214 Cb 0.42 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 2ddg h LYS 214 CO 0.01 0.75 -0.10 -0.09 -0.57 0.00 0.00 179.45 179.45 2ddg h ARG 215 N 0.59 -0.26 0.00 3.15 2.43 -0.84 0.11 114.38 119.55 2ddg h ARG 215 Ca 0.13 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2ddg h ARG 215 Cb 0.37 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2ddg h ARG 215 CO 0.01 -0.18 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.21 2ddg h LEU 216 N -0.27 0.00 -1.06 3.80 3.38 -1.05 -2.31 115.31 117.80 2ddg h LEU 216 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2ddg h LEU 216 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2ddg h LEU 216 CO 0.03 0.01 -0.08 0.00 0.09 0.00 0.00 178.44 178.49 2ddg n ALA 217 N -2.10 2.71 -1.03 1.53 0.00 -0.29 -4.89 120.51 116.45 2ddg n ALA 217 Ca -0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 53.44 52.93 2ddg n ALA 217 Cb 0.23 -1.07 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 2ddg n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ddg n GLY 218 N 1.25 0.49 0.67 0.00 0.00 -0.80 -4.99 105.19 101.81 2ddg n GLY 218 Ca 0.16 -0.50 0.13 0.00 0.00 0.00 0.00 46.02 45.82 2ddg n GLY 218 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36