#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r6s s GLN 16 N 0.00 2.99 -0.19 1.61 0.74 -0.36 -4.71 119.66 119.73 2r6s s GLN 16 Ca 0.00 0.27 -0.05 0.00 0.05 0.00 0.00 55.36 55.63 2r6s s GLN 16 Cb 0.00 -2.16 -0.02 0.00 1.10 0.00 0.00 33.01 31.93 2r6s s GLN 16 CO 0.00 -0.80 -0.01 -0.51 -0.55 0.00 0.00 175.29 173.42 2r6s s ASP 17 N -4.31 4.77 0.48 6.67 1.11 -1.26 -2.03 116.67 122.10 2r6s s ASP 17 Ca 0.55 -0.20 0.04 0.00 0.18 0.00 0.00 52.55 53.12 2r6s s ASP 17 Cb -0.11 -1.80 -0.03 0.00 1.07 0.00 0.00 42.92 42.05 2r6s s ASP 17 CO 0.49 0.08 0.07 -0.31 1.18 0.00 0.00 175.17 176.68 2r6s s TYR 18 N 0.88 2.10 -0.37 4.23 1.51 -0.87 -5.06 117.35 119.77 2r6s s TYR 18 Ca 0.00 -0.82 -0.29 0.00 -1.01 0.00 0.00 57.07 54.95 2r6s s TYR 18 Cb -0.14 -1.73 0.02 0.00 -0.11 0.00 0.00 41.96 40.00 2r6s s TYR 18 CO 0.02 0.21 1.11 0.45 -1.11 0.00 0.00 175.55 176.23 2r6s s SER 19 N -3.88 6.81 0.00 2.29 0.15 -1.26 -3.65 113.70 114.16 2r6s s SER 19 Ca 0.21 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.71 2r6s s SER 19 Cb 0.04 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 2r6s s SER 19 CO 0.11 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.14 2r6s n GLY 20 N 4.24 0.67 3.61 9.45 0.00 -1.26 -4.42 105.19 117.48 2r6s n GLY 20 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 2r6s n GLY 20 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2r6s s PHE 21 N -2.26 -0.17 0.21 1.61 -0.71 -1.24 -1.46 117.98 113.97 2r6s s PHE 21 Ca 0.00 -0.18 0.10 0.00 -1.04 0.00 0.00 56.93 55.81 2r6s s PHE 21 Cb 0.00 0.50 -0.05 0.00 -1.21 0.00 0.00 43.02 42.26 2r6s s PHE 21 CO 0.00 -1.01 -0.20 0.95 -1.34 0.00 0.00 175.22 173.62 2r6s s THR 22 N -3.88 2.17 -0.03 -4.49 -4.23 -0.46 -2.04 115.64 102.68 2r6s s THR 22 Ca 0.09 -2.15 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 2r6s s THR 22 Cb -0.02 -2.10 0.02 0.00 1.34 0.00 0.00 72.50 71.74 2r6s s THR 22 CO -0.01 -0.32 -0.00 -0.22 -0.54 0.00 0.00 174.62 173.53 2r6s s LEU 23 N -3.02 1.28 0.00 4.79 2.96 -0.86 -1.23 118.68 122.60 2r6s s LEU 23 Ca 0.23 -0.03 -0.12 0.00 -0.22 0.00 0.00 54.13 53.99 2r6s s LEU 23 Cb -0.05 -0.20 0.01 0.00 0.50 0.00 0.00 46.19 46.44 2r6s s LEU 23 CO 0.10 -0.08 0.24 0.42 -1.32 0.00 0.00 176.35 175.71 2r6s s THR 24 N 0.88 0.07 0.56 3.68 -4.23 -0.48 -1.23 115.64 114.90 2r6s s THR 24 Ca -0.09 -0.60 -0.20 0.00 -1.18 0.00 0.00 61.69 59.62 2r6s s THR 24 Cb -0.12 -0.60 -0.04 0.00 1.34 0.00 0.00 72.50 73.07 2r6s s THR 24 CO -0.02 -0.33 1.23 -2.84 -0.54 0.00 0.00 174.62 172.13 2r6s s PRO 25 N -1.55 3.14 0.84 3.99 0.02 -1.26 0.35 135.00 140.53 2r6s s PRO 25 Ca -0.13 1.91 -0.12 0.00 0.02 0.00 0.00 61.00 62.68 2r6s s PRO 25 Cb -0.05 -2.08 0.09 0.00 0.02 0.00 0.00 34.50 32.47 2r6s s PRO 25 CO 0.02 -1.09 1.12 -1.54 -0.33 0.00 0.00 177.00 175.18 2r6s s SER 26 N -1.41 4.18 0.34 2.53 1.04 -0.41 -4.76 113.70 115.21 2r6s s SER 26 Ca 0.74 1.12 0.27 0.00 0.48 0.00 0.00 55.95 58.56 2r6s s SER 26 Cb -0.32 -1.78 0.95 0.00 0.10 0.00 0.00 66.02 64.97 2r6s s SER 26 CO 0.37 -2.15 1.78 0.00 0.98 0.00 0.00 173.24 174.22 2r6s h ALA 27 N -1.21 1.00 0.04 5.32 0.00 -1.95 -3.28 119.26 119.17 2r6s h ALA 27 Ca -0.48 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.12 2r6s h ALA 27 Cb 1.30 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2r6s h ALA 27 CO 0.61 0.00 -1.79 1.04 0.00 0.00 0.00 179.25 179.12 2r6s n GLN 28 N -2.55 0.67 -3.59 0.00 3.00 -1.26 -5.00 117.38 108.64 2r6s n GLN 28 Ca 0.03 0.29 -0.12 0.00 -0.01 0.00 0.00 57.00 57.19 2r6s n GLN 28 Cb 0.33 -1.77 -0.06 0.00 0.00 0.00 0.00 30.24 28.74 2r6s n GLN 28 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2r6s s SER 29 N -6.36 -0.49 0.13 1.08 0.15 -1.24 -5.01 113.70 101.97 2r6s s SER 29 Ca -0.09 0.72 0.19 0.00 0.70 0.00 0.00 55.95 57.47 2r6s s SER 29 Cb 0.08 0.66 0.81 0.00 -1.71 0.00 0.00 66.02 65.85 2r6s s SER 29 CO 0.81 -0.31 1.60 -0.81 1.20 0.00 0.00 173.24 175.72 2r6s n PRO 30 N 1.46 0.10 0.19 5.44 -0.04 -1.26 -2.92 135.00 137.98 2r6s n PRO 30 Ca -0.13 0.33 0.09 0.00 -0.04 0.00 0.00 63.50 63.75 2r6s n PRO 30 Cb 0.57 -1.69 0.18 0.00 -0.04 0.00 0.00 33.50 32.53 2r6s n PRO 30 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2r6s h ARG 31 N 0.00 0.00 -4.81 0.54 3.08 -1.92 -3.43 114.38 107.84 2r6s h ARG 31 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 2r6s h ARG 31 Cb 0.32 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.12 2r6s h ARG 31 CO 0.00 0.21 -0.60 -1.17 -1.07 0.00 0.00 179.97 177.34 2r6s s LEU 32 N -6.36 3.90 0.02 3.04 2.96 -1.15 -3.80 118.68 117.29 2r6s s LEU 32 Ca 0.05 -0.60 0.02 0.00 -0.22 0.00 0.00 54.13 53.37 2r6s s LEU 32 Cb 0.07 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 2r6s s LEU 32 CO 0.69 -0.18 0.03 -0.76 -1.32 0.00 0.00 176.35 174.81 2r6s s LEU 33 N 1.55 3.63 -0.27 -0.68 1.43 -1.01 -1.29 118.68 122.04 2r6s s LEU 33 Ca 0.04 -0.00 -0.07 0.00 -1.03 0.00 0.00 54.13 53.06 2r6s s LEU 33 Cb -0.17 -2.17 -0.01 0.00 0.03 0.00 0.00 46.19 43.87 2r6s s LEU 33 CO 0.04 0.25 0.08 -1.61 0.23 0.00 0.00 176.35 175.33 2r6s s GLU 34 N -1.84 3.41 -0.19 1.70 2.02 0.15 -1.22 118.70 122.73 2r6s s GLU 34 Ca 0.23 -0.64 -0.03 0.00 0.02 0.00 0.00 54.97 54.54 2r6s s GLU 34 Cb -0.12 -3.35 -0.01 0.00 0.10 0.00 0.00 34.13 30.75 2r6s s GLU 34 CO 0.14 -0.30 -0.05 -1.17 0.02 0.00 0.00 175.26 173.90 2r6s s LEU 35 N 1.57 2.95 -0.15 1.80 0.20 0.37 -1.38 118.68 124.04 2r6s s LEU 35 Ca 0.05 -0.32 0.00 0.00 0.69 0.00 0.00 54.13 54.55 2r6s s LEU 35 Cb -0.16 -1.73 0.02 0.00 -0.43 0.00 0.00 46.19 43.89 2r6s s LEU 35 CO 0.03 0.05 -0.14 -0.89 -0.29 0.00 0.00 176.35 175.11 2r6s s THR 36 N 1.09 1.58 0.22 3.68 2.01 -0.36 -1.22 115.64 122.63 2r6s s THR 36 Ca 0.01 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 61.05 2r6s s THR 36 Cb -0.15 -1.49 -0.08 0.00 0.01 0.00 0.00 72.50 70.79 2r6s s THR 36 CO -0.00 0.44 1.08 -0.36 -0.69 0.00 0.00 174.62 175.08 2r6s s PHE 37 N 1.48 3.64 0.78 4.92 0.08 0.36 -1.36 117.98 127.88 2r6s s PHE 37 Ca 0.04 1.68 -0.13 0.00 0.12 0.00 0.00 56.93 58.64 2r6s s PHE 37 Cb -0.13 -3.24 0.07 0.00 -0.57 0.00 0.00 43.02 39.15 2r6s s PHE 37 CO -0.11 -0.44 1.17 0.95 -0.10 0.00 0.00 175.22 176.70 2r6s s THR 38 N -0.66 2.41 0.32 0.64 -4.23 -0.53 -1.45 115.64 112.13 2r6s s THR 38 Ca 0.47 0.17 0.05 0.00 -1.18 0.00 0.00 61.69 61.20 2r6s s THR 38 Cb -0.30 -2.59 0.30 0.00 1.34 0.00 0.00 72.50 71.26 2r6s s THR 38 CO 0.37 -0.13 1.85 -0.08 -0.54 0.00 0.00 174.62 176.08 2r6s h GLU 39 N -0.78 0.82 -0.20 3.99 4.81 -1.91 -1.52 114.58 119.79 2r6s h GLU 39 Ca -0.46 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 58.64 2r6s h GLU 39 Cb 1.28 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 2r6s h GLU 39 CO 0.48 0.54 -0.18 0.37 -0.73 0.00 0.00 179.01 179.50 2r6s h GLN 40 N 0.84 0.48 -0.50 1.92 4.15 -1.91 0.02 115.11 120.12 2r6s h GLN 40 Ca 0.48 -0.24 0.06 0.00 0.77 0.00 0.00 58.65 59.72 2r6s h GLN 40 Cb 0.62 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.27 2r6s h GLN 40 CO -0.25 0.81 0.21 1.15 -1.93 0.00 0.00 178.83 178.82 2r6s h THR 41 N 0.16 0.88 -0.15 2.39 2.02 -1.79 -1.31 112.91 115.11 2r6s h THR 41 Ca 0.04 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 2r6s h THR 41 Cb 0.71 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2r6s h THR 41 CO 0.05 0.07 0.07 0.74 0.37 0.00 0.00 175.52 176.82 2r6s h THR 42 N 0.41 1.13 -0.26 3.16 2.02 -1.11 0.12 112.91 118.38 2r6s h THR 42 Ca 0.23 -0.39 0.05 0.00 0.77 0.00 0.00 66.41 67.07 2r6s h THR 42 Cb 0.21 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 2r6s h THR 42 CO -0.21 0.12 -0.02 0.50 0.37 0.00 0.00 175.52 176.28 2r6s h LYS 43 N 0.10 0.05 -0.42 6.66 3.64 -0.82 -1.41 116.57 124.37 2r6s h LYS 43 Ca 0.05 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 2r6s h LYS 43 Cb 0.13 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2r6s h LYS 43 CO -0.01 0.03 -0.26 1.96 -2.27 0.00 0.00 179.45 178.91 2r6s h GLN 44 N 0.05 0.89 -0.18 1.90 4.20 -0.97 -1.86 115.11 119.14 2r6s h GLN 44 Ca 0.13 -0.39 0.03 0.00 0.06 0.00 0.00 58.65 58.48 2r6s h GLN 44 Cb 0.18 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 2r6s h GLN 44 CO -0.23 1.04 -0.00 0.35 -0.67 0.00 0.00 178.83 179.31 2r6s h PHE 45 N 0.76 -0.01 -0.64 2.96 3.57 -0.42 -0.77 116.94 122.39 2r6s h PHE 45 Ca 0.09 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 2r6s h PHE 45 Cb 0.81 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 2r6s h PHE 45 CO 0.05 -0.03 0.08 -0.07 -2.23 0.00 0.00 178.31 176.11 2r6s h LEU 46 N 0.05 1.02 -0.05 0.59 3.38 -1.11 -0.51 115.31 118.68 2r6s h LEU 46 Ca 0.08 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.83 2r6s h LEU 46 Cb 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2r6s h LEU 46 CO -0.14 1.03 -0.12 -0.33 0.09 0.00 0.00 178.44 178.97 2r6s h GLU 47 N 0.99 -0.17 0.00 1.13 5.08 -1.14 -2.14 114.58 118.32 2r6s h GLU 47 Ca 0.19 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2r6s h GLU 47 Cb 0.46 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2r6s h GLU 47 CO 0.02 -0.12 0.00 1.04 -1.00 0.00 0.00 179.01 178.95 2r6s n GLN 48 N -5.26 0.16 -0.10 2.33 6.02 -0.31 -2.61 117.38 117.61 2r6s n GLN 48 Ca -0.05 0.24 0.05 0.00 -0.01 0.00 0.00 57.00 57.24 2r6s n GLN 48 Cb 0.18 -1.73 0.11 0.00 1.02 0.00 0.00 30.24 29.81 2r6s n GLN 48 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2r6s n VAL 49 N -2.01 0.63 0.30 5.09 0.24 -0.25 -4.68 118.33 117.64 2r6s n VAL 49 Ca 0.05 -0.82 0.16 0.00 -2.04 0.00 0.00 64.34 61.69 2r6s n VAL 49 Cb 0.32 0.76 0.93 0.00 -1.47 0.00 0.00 33.84 34.38 2r6s n VAL 49 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2r6s h ALA 50 N 1.93 1.41 0.00 2.33 0.00 -1.13 -2.48 119.26 121.32 2r6s h ALA 50 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2r6s h ALA 50 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2r6s h ALA 50 CO 0.00 0.02 0.00 -0.85 0.00 0.00 0.00 179.25 178.42 2r6s n GLU 51 N -3.71 0.26 -3.79 0.00 0.28 -1.26 -4.42 120.64 108.01 2r6s n GLU 51 Ca -0.03 0.25 -0.37 0.00 -0.16 0.00 0.00 57.16 56.86 2r6s n GLU 51 Cb 0.11 -1.83 -0.12 0.00 1.43 0.00 0.00 31.44 31.03 2r6s n GLU 51 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2r6s s TRP 52 N -3.14 3.40 0.78 -1.84 0.51 -0.93 -5.08 118.94 112.63 2r6s s TRP 52 Ca 0.10 -1.96 -0.11 0.00 -2.12 0.00 0.00 56.10 52.01 2r6s s TRP 52 Cb 0.12 -2.69 0.06 0.00 -0.81 0.00 0.00 33.47 30.15 2r6s s TRP 52 CO 0.57 -0.86 1.10 -1.25 -0.51 0.00 0.00 176.95 175.99 2r6s s PRO 53 N 1.26 2.19 0.51 4.98 0.04 -1.26 -4.87 135.00 137.85 2r6s s PRO 53 Ca 0.02 1.20 0.32 0.00 0.04 0.00 0.00 61.00 62.58 2r6s s PRO 53 Cb -0.21 -1.89 1.45 0.00 0.04 0.00 0.00 34.50 33.89 2r6s s PRO 53 CO -0.01 -1.70 1.80 0.28 0.04 0.00 0.00 177.00 177.41 2r6s h VAL 54 N -1.14 0.43 -0.25 -0.36 2.07 -1.95 0.19 116.25 115.24 2r6s h VAL 54 Ca -0.44 -0.03 -0.09 0.00 0.82 0.00 0.00 66.70 66.96 2r6s h VAL 54 Cb 1.23 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2r6s h VAL 54 CO 0.51 0.02 -0.24 1.56 0.02 0.00 0.00 177.57 179.44 2r6s h GLN 55 N 0.09 0.48 -0.47 1.57 7.50 -1.99 -0.73 115.11 121.55 2r6s h GLN 55 Ca 0.57 -0.17 -0.02 0.00 0.50 0.00 0.00 58.65 59.52 2r6s h GLN 55 Cb 2.08 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 29.56 2r6s h GLN 55 CO -0.08 0.69 0.21 0.00 -1.50 0.00 0.00 178.83 178.14 2r6s h ALA 56 N 1.32 0.61 -0.49 3.87 0.00 -0.95 -2.33 119.26 121.29 2r6s h ALA 56 Ca 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2r6s h ALA 56 Cb 0.65 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2r6s h ALA 56 CO 0.05 0.20 0.24 -0.07 0.00 0.00 0.00 179.25 179.67 2r6s h LEU 57 N 0.62 0.61 -0.51 0.00 3.38 -1.19 -0.84 115.31 117.39 2r6s h LEU 57 Ca 0.16 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 2r6s h LEU 57 Cb 0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2r6s h LEU 57 CO -0.02 0.52 -0.28 -0.33 0.09 0.00 0.00 178.44 178.43 2r6s h GLU 58 N 0.69 0.92 0.19 1.13 5.08 -0.92 -3.31 114.58 118.36 2r6s h GLU 58 Ca 0.17 -0.42 -0.31 0.00 -1.00 0.00 0.00 59.36 57.80 2r6s h GLU 58 Cb 0.07 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.32 2r6s h GLU 58 CO -0.02 1.08 -1.43 1.88 -1.00 0.00 0.00 179.01 179.51 2r6s h TYR 59 N 0.78 0.73 -3.58 4.33 -1.99 -1.01 -3.44 116.97 112.80 2r6s h TYR 59 Ca 0.09 -0.53 -0.67 0.00 2.00 0.00 0.00 58.73 59.61 2r6s h TYR 59 Cb 0.85 -0.03 -0.38 0.00 2.00 0.00 0.00 36.73 39.17 2r6s h TYR 59 CO 0.05 1.46 -0.62 0.15 -0.00 0.00 0.00 178.16 179.20 2r6s s LYS 60 N -2.62 1.79 0.59 4.88 1.02 -0.36 -4.98 119.74 120.06 2r6s s LYS 60 Ca -0.08 -1.96 0.35 0.00 0.02 0.00 0.00 55.97 54.30 2r6s s LYS 60 Cb 0.06 -3.40 1.82 0.00 -0.52 0.00 0.00 37.83 35.79 2r6s s LYS 60 CO 0.91 -1.02 2.18 0.66 -0.92 0.00 0.00 175.35 177.16 2r6s h SER 61 N 7.65 0.00 0.57 2.83 4.64 -1.85 -1.25 113.55 126.14 2r6s h SER 61 Ca -0.08 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 2r6s h SER 61 Cb 1.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2r6s h SER 61 CO 0.62 0.04 -0.12 2.19 -0.87 0.00 0.00 176.83 178.69 2r6s h PHE 62 N 0.00 0.00 0.00 4.77 -5.15 -1.93 -2.14 116.94 112.49 2r6s h PHE 62 Ca -0.00 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.69 2r6s h PHE 62 Cb 0.22 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.38 2r6s h PHE 62 CO 0.00 0.12 -0.36 -0.07 -2.00 0.00 0.00 178.31 176.00 2r6s h LEU 63 N 0.00 0.00 -0.78 2.10 3.38 -1.56 -1.74 115.31 116.71 2r6s h LEU 63 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2r6s h LEU 63 Cb 0.44 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 2r6s h LEU 63 CO 0.02 0.36 0.47 0.03 0.09 0.00 0.00 178.44 179.41 2r6s h ARG 64 N 0.00 1.06 -0.09 1.13 3.08 -1.52 -0.34 114.38 117.71 2r6s h ARG 64 Ca -0.00 -0.09 -0.19 0.00 0.07 0.00 0.00 59.98 59.77 2r6s h ARG 64 Cb 0.75 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 2r6s h ARG 64 CO 0.05 0.75 -0.72 0.74 -1.07 0.00 0.00 179.97 179.71 2r6s h PHE 65 N 1.07 0.59 -0.08 3.04 0.04 -1.50 -2.83 116.94 117.28 2r6s h PHE 65 Ca 0.28 -0.26 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 2r6s h PHE 65 Cb -0.04 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.01 2r6s h PHE 65 CO -0.01 1.02 0.04 -0.09 -0.60 0.00 0.00 178.31 178.66 2r6s h ARG 66 N 0.30 0.12 -0.40 1.51 2.43 -0.91 -0.21 114.38 117.23 2r6s h ARG 66 Ca -0.03 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2r6s h ARG 66 Cb 1.30 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 2r6s h ARG 66 CO 0.13 0.21 0.26 -0.39 -1.51 0.00 0.00 179.97 178.67 2r6s h VAL 67 N -0.01 1.08 0.09 0.20 -1.51 -1.15 -0.52 116.25 114.44 2r6s h VAL 67 Ca 0.03 -0.17 0.02 0.00 -1.23 0.00 0.00 66.70 65.35 2r6s h VAL 67 Cb 0.14 0.53 -0.04 0.00 -2.13 0.00 0.00 31.29 29.79 2r6s h VAL 67 CO -0.00 0.09 -0.28 1.23 -1.23 0.00 0.00 177.57 177.38 2r6s h GLY 68 N 0.50 -0.50 0.37 5.19 0.00 -1.12 -2.57 103.07 104.95 2r6s h GLY 68 Ca 0.15 0.33 0.10 0.00 0.00 0.00 0.00 47.33 47.91 2r6s h GLY 68 CO -0.03 -0.23 0.31 1.70 0.00 0.00 0.00 176.54 178.28 2r6s h LYS 69 N -0.48 0.50 -0.51 4.80 3.64 0.23 -1.85 116.57 122.90 2r6s h LYS 69 Ca 0.04 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2r6s h LYS 69 Cb 0.52 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 2r6s h LYS 69 CO -0.18 0.33 0.30 0.82 -2.27 0.00 0.00 179.45 178.45 2r6s h ILE 70 N 0.51 1.05 -0.39 2.00 2.04 -0.98 0.88 117.51 122.61 2r6s h ILE 70 Ca 0.35 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.92 2r6s h ILE 70 Cb 0.43 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2r6s h ILE 70 CO -0.31 0.11 -0.09 0.25 0.00 0.00 0.00 178.15 178.11 2r6s h LEU 71 N 0.60 0.75 -0.42 1.44 5.85 -1.01 -1.86 115.31 120.67 2r6s h LEU 71 Ca 0.21 -0.36 -0.09 0.00 0.84 0.00 0.00 57.88 58.48 2r6s h LEU 71 Cb 0.02 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 2r6s h LEU 71 CO -0.09 0.94 -0.09 -0.78 -0.34 0.00 0.00 178.44 178.08 2r6s h ASP 72 N 0.56 0.80 -0.91 1.25 3.58 -1.09 -2.27 116.42 118.34 2r6s h ASP 72 Ca 0.10 -0.36 0.09 0.00 0.42 0.00 0.00 57.03 57.29 2r6s h ASP 72 Cb 0.60 -0.22 -0.07 0.00 1.72 0.00 0.00 39.33 41.37 2r6s h ASP 72 CO 0.04 0.97 0.59 0.44 -2.88 0.00 0.00 179.24 178.39 2r6s h ASP 73 N 0.62 0.84 0.84 2.28 3.32 -0.76 0.16 116.42 123.72 2r6s h ASP 73 Ca 0.11 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2r6s h ASP 73 Cb 0.61 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2r6s h ASP 73 CO 0.04 0.50 0.00 -0.07 -1.72 0.00 0.00 179.24 177.99 2r6s h LEU 74 N 0.93 0.00 -3.70 1.55 3.38 -0.76 -2.81 115.31 113.90 2r6s h LEU 74 Ca 0.42 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 58.00 2r6s h LEU 74 Cb 0.37 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.90 2r6s h LEU 74 CO -0.18 0.00 0.28 0.00 0.09 0.00 0.00 178.44 178.63 2r6s n ALA 76 N -1.10 -1.16 -2.04 0.00 0.00 -1.06 -0.52 120.51 114.63 2r6s n ALA 76 Ca 0.48 0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.90 2r6s n ALA 76 Cb 1.28 -3.61 -0.03 0.00 0.00 0.00 0.00 19.45 17.09 2r6s n ALA 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2r6s n ASN 77 N -2.56 -4.23 0.03 0.00 4.13 0.40 -4.84 115.26 108.19 2r6s n ASN 77 Ca 0.01 0.23 0.12 0.00 1.68 0.00 0.00 54.58 56.61 2r6s n ASN 77 Cb 0.53 -3.69 0.11 0.00 -1.54 0.00 0.00 39.78 35.20 2r6s n ASN 77 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2r6s n GLN 78 N -2.51 0.23 0.05 3.52 6.02 0.32 -4.55 117.38 120.45 2r6s n GLN 78 Ca -0.16 0.03 -0.08 0.00 -0.01 0.00 0.00 57.00 56.77 2r6s n GLN 78 Cb 0.57 -1.60 -0.05 0.00 1.02 0.00 0.00 30.24 30.17 2r6s n GLN 78 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2r6s h LEU 79 N 0.00 -0.20 -0.16 1.08 5.85 -1.81 -3.09 115.31 116.98 2r6s h LEU 79 Ca 0.00 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.54 2r6s h LEU 79 Cb 0.68 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.70 2r6s h LEU 79 CO 0.00 0.35 -0.29 -0.61 -0.34 0.00 0.00 178.44 177.55 2r6s h GLN 80 N -0.98 -0.34 0.00 1.25 4.15 -1.91 0.76 115.11 118.04 2r6s h GLN 80 Ca -0.02 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2r6s h GLN 80 Cb 0.42 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 2r6s h GLN 80 CO 0.04 -0.22 -0.08 -1.00 -1.93 0.00 0.00 178.83 175.64 2r6s h PRO 81 N -0.35 0.00 -0.07 -2.39 0.13 -1.80 -1.99 132.00 125.53 2r6s h PRO 81 Ca 0.11 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.13 2r6s h PRO 81 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.65 2r6s h PRO 81 CO -0.36 0.08 -0.36 1.25 -0.23 0.00 0.00 178.00 178.38 2r6s h LEU 82 N 0.00 0.44 -0.52 1.56 7.12 -1.08 -1.54 115.31 121.29 2r6s h LEU 82 Ca -0.00 -0.65 0.08 0.00 0.13 0.00 0.00 57.88 57.44 2r6s h LEU 82 Cb 0.15 -0.13 -0.06 0.00 -0.53 0.00 0.00 40.66 40.08 2r6s h LEU 82 CO 0.01 1.02 0.16 -0.07 -0.13 0.00 0.00 178.44 179.43 2r6s h LEU 83 N -0.10 0.12 -0.23 2.25 3.38 -0.71 -0.70 115.31 119.32 2r6s h LEU 83 Ca -0.02 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 2r6s h LEU 83 Cb 1.01 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 2r6s h LEU 83 CO 0.07 0.09 -0.18 -0.07 0.09 0.00 0.00 178.44 178.45 2r6s h LEU 84 N 0.32 0.55 -0.88 1.67 3.38 -1.37 -0.32 115.31 118.67 2r6s h LEU 84 Ca 0.26 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2r6s h LEU 84 Cb 0.31 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2r6s h LEU 84 CO -0.29 0.89 0.58 0.50 0.09 0.00 0.00 178.44 180.21 2r6s h LYS 85 N 0.22 1.14 -0.07 1.13 3.64 -1.15 -0.89 116.57 120.58 2r6s h LYS 85 Ca 0.04 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2r6s h LYS 85 Cb 0.72 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2r6s h LYS 85 CO 0.05 0.75 -0.07 1.15 -2.27 0.00 0.00 179.45 179.06 2r6s h THR 86 N 1.17 1.36 -0.15 1.00 2.02 -0.98 -1.96 112.91 115.37 2r6s h THR 86 Ca 0.33 -1.21 -0.08 0.00 0.77 0.00 0.00 66.41 66.21 2r6s h THR 86 Cb -0.12 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 2r6s h THR 86 CO -0.08 0.34 -0.27 -0.07 0.37 0.00 0.00 175.52 175.80 2r6s h LEU 87 N -0.25 0.28 0.00 2.58 3.38 -0.91 -0.95 115.31 119.44 2r6s h LEU 87 Ca 0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2r6s h LEU 87 Cb 0.57 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2r6s h LEU 87 CO 0.02 0.56 -0.65 -0.07 0.09 0.00 0.00 178.44 178.38 2r6s h LEU 88 N 0.25 0.00 -9.05 1.67 3.38 -1.22 -3.40 115.31 106.95 2r6s h LEU 88 Ca 0.04 -0.17 -0.56 0.00 0.09 0.00 0.00 57.88 57.28 2r6s h LEU 88 Cb 0.62 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2r6s h LEU 88 CO 0.04 0.08 1.12 0.21 0.09 0.00 0.00 178.44 179.99 2r6s s ASN 89 N -4.49 6.40 0.45 -0.43 2.47 -0.74 -4.90 114.94 113.71 2r6s s ASN 89 Ca 0.05 1.65 0.20 0.00 0.42 0.00 0.00 52.86 55.18 2r6s s ASN 89 Cb 0.12 -2.53 1.17 0.00 -1.45 0.00 0.00 41.25 38.56 2r6s s ASN 89 CO 0.73 -1.23 1.90 -0.09 -3.72 0.00 0.00 177.10 174.69 2r6s h ARG 90 N 10.63 0.29 0.00 0.43 9.65 -1.88 -1.20 114.38 132.29 2r6s h ARG 90 Ca -0.34 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.53 2r6s h ARG 90 Cb 1.15 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.67 2r6s h ARG 90 CO 1.00 0.19 0.00 0.00 2.80 0.00 0.00 179.97 183.96 2r6s h ALA 91 N 1.63 1.00 -3.00 2.80 0.00 -1.93 -3.44 119.26 116.32 2r6s h ALA 91 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2r6s h ALA 91 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2r6s h ALA 91 CO -0.11 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.53 2r6s n GLU 92 N -2.93 0.00 -0.63 0.00 1.02 -0.48 -4.50 120.64 113.12 2r6s n GLU 92 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2r6s n GLU 92 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.80 2r6s n GLU 92 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2r6s n GLY 93 N 4.23 0.68 3.06 0.62 0.00 -0.38 -4.83 105.19 108.57 2r6s n GLY 93 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 2r6s n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r6s s ALA 94 N -2.00 -0.44 0.03 4.61 0.00 -1.25 -0.96 121.76 121.75 2r6s s ALA 94 Ca 0.00 0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.47 2r6s s ALA 94 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 2r6s s ALA 94 CO 0.00 -0.09 -0.07 -0.51 0.00 0.00 0.00 175.76 175.09 2r6s s LEU 95 N 0.06 2.21 -0.20 0.00 1.43 0.23 -2.39 118.68 120.02 2r6s s LEU 95 Ca -0.00 -0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 52.63 2r6s s LEU 95 Cb -0.01 -0.19 0.02 0.00 0.03 0.00 0.00 46.19 46.03 2r6s s LEU 95 CO 0.00 -0.15 -0.15 -0.22 0.23 0.00 0.00 176.35 176.07 2r6s s LEU 96 N -1.29 2.47 -0.00 1.79 2.96 -0.35 0.07 118.68 124.32 2r6s s LEU 96 Ca -0.07 -0.64 0.07 0.00 -0.22 0.00 0.00 54.13 53.27 2r6s s LEU 96 Cb -0.08 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 2r6s s LEU 96 CO 0.00 -0.02 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.17 2r6s s ILE 97 N 1.33 1.66 0.22 6.68 1.01 -0.13 -0.48 121.20 131.49 2r6s s ILE 97 Ca 0.04 -0.97 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 2r6s s ILE 97 Cb -0.14 -1.40 0.01 0.00 0.01 0.00 0.00 42.46 40.95 2r6s s ILE 97 CO -0.10 0.40 0.51 0.54 0.00 0.00 0.00 174.94 176.30 2r6s s ASN 98 N -0.66 -0.17 -0.08 3.58 4.22 -0.36 -1.23 114.94 120.24 2r6s s ASN 98 Ca 0.08 -0.68 0.01 0.00 -2.14 0.00 0.00 52.86 50.13 2r6s s ASN 98 Cb -0.08 0.59 0.02 0.00 1.28 0.00 0.00 41.25 43.05 2r6s s ASN 98 CO -0.00 -1.11 -0.10 0.00 -2.04 0.00 0.00 177.10 173.85 2r6s s ALA 99 N -3.94 1.24 0.05 3.54 0.00 -1.26 -0.49 121.76 120.90 2r6s s ALA 99 Ca 0.15 -0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.38 2r6s s ALA 99 Cb -0.01 -0.66 -0.09 0.00 0.00 0.00 0.00 23.12 22.36 2r6s s ALA 99 CO 0.03 -0.06 1.90 0.08 0.00 0.00 0.00 175.76 177.71 2r6s s VAL 100 N 1.00 2.97 0.00 0.00 1.01 -0.53 -2.01 120.40 122.85 2r6s s VAL 100 Ca -0.08 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.00 2r6s s VAL 100 Cb -0.15 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.16 2r6s s VAL 100 CO -0.00 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.70 2r6s n GLY 101 N 4.42 1.67 3.12 4.51 0.00 -1.26 -4.33 105.19 113.32 2r6s n GLY 101 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 2r6s n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r6s s ILE 102 N -2.22 3.31 0.00 -0.61 1.01 -0.85 -4.86 121.20 116.98 2r6s s ILE 102 Ca 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 60.65 58.57 2r6s s ILE 102 Cb 0.00 -3.27 0.01 0.00 0.01 0.00 0.00 42.46 39.21 2r6s s ILE 102 CO 0.00 -0.70 0.72 -0.90 0.00 0.00 0.00 174.94 174.06 2r6s n ASP 103 N 4.56 -0.39 -3.89 3.58 5.68 -1.26 -4.53 116.55 120.30 2r6s n ASP 103 Ca -0.02 -1.44 -0.11 0.00 -0.50 0.00 0.00 54.79 52.72 2r6s n ASP 103 Cb 0.41 0.11 -0.12 0.00 -1.14 0.00 0.00 41.12 40.38 2r6s n ASP 103 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2r6s s ASP 104 N -0.45 0.04 0.55 -1.12 2.15 -1.26 -4.73 116.67 111.84 2r6s s ASP 104 Ca 0.00 -0.10 0.29 0.00 0.43 0.00 0.00 52.55 53.17 2r6s s ASP 104 Cb 0.01 0.11 1.45 0.00 -0.30 0.00 0.00 42.92 44.19 2r6s s ASP 104 CO -0.00 -0.13 1.93 1.62 -0.17 0.00 0.00 175.17 178.42 2r6s h VAL 105 N 4.87 0.58 0.00 1.11 3.04 -1.97 0.13 116.25 124.01 2r6s h VAL 105 Ca -0.27 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 2r6s h VAL 105 Cb 1.21 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.12 2r6s h VAL 105 CO 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.01 2r6s h ALA 106 N 1.60 1.00 -0.74 3.17 0.00 -1.96 -2.18 119.26 120.16 2r6s h ALA 106 Ca 0.32 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.02 2r6s h ALA 106 Cb 1.33 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 19.00 2r6s h ALA 106 CO -0.00 0.00 0.25 1.04 0.00 0.00 0.00 179.25 180.54 2r6s n GLN 107 N -3.03 3.88 -0.33 0.00 6.02 0.44 -4.69 117.38 119.66 2r6s n GLN 107 Ca -0.02 -3.09 0.03 0.00 -0.01 0.00 0.00 57.00 53.90 2r6s n GLN 107 Cb 0.11 -2.23 0.17 0.00 1.02 0.00 0.00 30.24 29.31 2r6s n GLN 107 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2r6s h ALA 108 N 2.85 1.31 -0.49 -1.58 0.00 -1.53 -0.01 119.26 119.80 2r6s h ALA 108 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2r6s h ALA 108 Cb 2.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.87 2r6s h ALA 108 CO 0.73 0.28 0.21 -0.44 0.00 0.00 0.00 179.25 180.04 2r6s h ASP 109 N 1.00 0.66 -0.91 0.00 3.32 -1.87 -0.24 116.42 118.38 2r6s h ASP 109 Ca 0.42 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.33 2r6s h ASP 109 Cb 0.27 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 2r6s h ASP 109 CO -0.21 0.62 0.60 -0.33 -1.72 0.00 0.00 179.24 178.21 2r6s h GLU 110 N 0.65 1.19 -0.62 3.56 3.07 -1.66 -0.84 114.58 119.93 2r6s h GLU 110 Ca 0.17 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.93 2r6s h GLU 110 Cb 0.16 -0.27 -0.03 0.00 -0.84 0.00 0.00 28.75 27.77 2r6s h GLU 110 CO -0.02 0.79 0.31 0.52 -1.40 0.00 0.00 179.01 179.21 2r6s h MET 111 N 1.23 0.88 -0.59 2.33 2.86 -0.24 -1.61 114.93 119.80 2r6s h MET 111 Ca 0.33 -0.12 -0.06 0.00 -2.06 0.00 0.00 59.70 57.79 2r6s h MET 111 Cb -0.14 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.33 2r6s h MET 111 CO -0.07 0.70 0.13 0.28 1.06 0.00 0.00 176.91 179.01 2r6s h VAL 112 N 0.85 1.25 -0.76 -2.22 2.07 -0.26 -1.68 116.25 115.50 2r6s h VAL 112 Ca 0.21 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2r6s h VAL 112 Cb 0.10 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 2r6s h VAL 112 CO -0.03 0.34 0.48 0.11 0.02 0.00 0.00 177.57 178.49 2r6s h LYS 113 N 0.86 1.02 0.22 1.57 1.57 -0.83 -0.20 116.57 120.76 2r6s h LYS 113 Ca 0.18 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2r6s h LYS 113 Cb 0.36 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2r6s h LYS 113 CO 0.00 0.70 -0.10 1.25 -0.57 0.00 0.00 179.45 180.73 2r6s h LEU 114 N 1.04 -0.25 -1.07 2.94 5.85 -0.99 -0.66 115.31 122.16 2r6s h LEU 114 Ca 0.28 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.92 2r6s h LEU 114 Cb -0.08 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 2r6s h LEU 114 CO -0.06 -0.01 0.62 0.00 -0.34 0.00 0.00 178.44 178.66 2r6s h ALA 115 N 0.26 1.42 -0.46 1.25 0.00 -1.14 -1.97 119.26 118.62 2r6s h ALA 115 Ca -0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2r6s h ALA 115 Cb 0.36 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2r6s h ALA 115 CO 0.05 0.45 0.14 1.15 0.00 0.00 0.00 179.25 181.04 2r6s h THR 116 N 1.15 1.23 -0.35 0.00 2.02 -0.89 -1.15 112.91 114.92 2r6s h THR 116 Ca 0.40 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 2r6s h THR 116 Cb 0.11 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 2r6s h THR 116 CO -0.14 0.27 0.17 0.00 0.37 0.00 0.00 175.52 176.19 2r6s h ALA 117 N 0.99 0.46 -0.31 6.16 0.00 -0.69 -1.26 119.26 124.60 2r6s h ALA 117 Ca 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2r6s h ALA 117 Cb 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2r6s h ALA 117 CO -0.00 0.03 0.09 0.28 0.00 0.00 0.00 179.25 179.64 2r6s h VAL 118 N 0.43 1.21 -0.78 0.00 2.07 -1.29 -2.89 116.25 115.00 2r6s h VAL 118 Ca 0.12 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2r6s h VAL 118 Cb 0.13 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 2r6s h VAL 118 CO -0.01 0.23 0.48 0.00 0.02 0.00 0.00 177.57 178.29 2r6s h ALA 119 N 0.92 0.99 -0.11 1.67 0.00 -0.96 -2.55 119.26 119.22 2r6s h ALA 119 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2r6s h ALA 119 Cb 0.26 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2r6s h ALA 119 CO -0.00 0.44 0.00 0.72 0.00 0.00 0.00 179.25 180.41 2r6s n HIS 120 N -4.50 0.14 0.11 0.00 8.25 -0.50 -1.38 115.22 117.33 2r6s n HIS 120 Ca 0.07 -0.07 0.06 0.00 -0.26 0.00 0.00 57.72 57.53 2r6s n HIS 120 Cb 0.04 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.16 2r6s n HIS 120 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2r6s h LEU 121 N 1.04 0.00 0.00 2.41 3.38 -1.24 -3.39 115.31 117.51 2r6s h LEU 121 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2r6s h LEU 121 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2r6s h LEU 121 CO 0.00 0.27 -0.70 2.30 0.09 0.00 0.00 178.44 180.40 2r6s n ILE 122 N -2.92 0.00 0.00 1.22 -6.64 -0.82 -4.96 119.36 105.24 2r6s n ILE 122 Ca -0.02 -0.25 0.00 0.00 -1.77 0.00 0.00 62.75 60.71 2r6s n ILE 122 Cb 0.67 0.85 0.00 0.00 -1.44 0.00 0.00 39.64 39.72 2r6s n ILE 122 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2r6s n GLY 123 N 1.38 -0.95 3.01 3.28 0.00 -0.48 -1.81 105.19 109.63 2r6s n GLY 123 Ca 0.01 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 2r6s n GLY 123 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2r6s s ARG 124 N -0.42 0.17 0.08 1.61 3.52 -0.68 -4.25 118.95 118.98 2r6s s ARG 124 Ca 0.00 0.31 -0.29 0.00 -0.13 0.00 0.00 55.73 55.62 2r6s s ARG 124 Cb 0.00 -0.01 -0.05 0.00 -1.56 0.00 0.00 34.95 33.33 2r6s s ARG 124 CO 0.00 -0.08 0.93 -1.12 -0.81 0.00 0.00 175.30 174.21 2r6s s SER 125 N 0.55 7.42 0.39 -2.12 0.01 -1.26 -1.92 113.70 116.76 2r6s s SER 125 Ca -0.04 1.70 -0.16 0.00 1.31 0.00 0.00 55.95 58.77 2r6s s SER 125 Cb -0.05 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.53 2r6s s SER 125 CO -0.03 -0.08 0.82 0.20 0.41 0.00 0.00 173.24 174.56 2r6s s ASN 126 N 0.15 6.74 0.11 2.44 0.01 0.13 -4.92 114.94 119.60 2r6s s ASN 126 Ca 0.46 1.37 -0.35 0.00 -0.71 0.00 0.00 52.86 53.63 2r6s s ASN 126 Cb -0.22 -2.42 -0.17 0.00 0.41 0.00 0.00 41.25 38.85 2r6s s ASN 126 CO 0.28 -0.33 1.14 0.33 -1.51 0.00 0.00 177.10 177.02 2r6s n PHE 127 N -0.78 1.08 -3.82 2.20 7.35 -1.26 -4.56 117.46 117.68 2r6s n PHE 127 Ca 0.04 0.77 -0.36 0.00 -0.76 0.00 0.00 57.45 57.14 2r6s n PHE 127 Cb 0.54 -2.23 -0.13 0.00 0.35 0.00 0.00 39.48 38.01 2r6s n PHE 127 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2r6s s ASP 128 N 0.06 4.83 0.48 -2.13 -1.08 0.26 -4.97 116.67 114.11 2r6s s ASP 128 Ca 0.79 -0.52 0.31 0.00 -0.52 0.00 0.00 52.55 52.62 2r6s s ASP 128 Cb -0.98 -1.83 1.27 0.00 -1.46 0.00 0.00 42.92 39.92 2r6s s ASP 128 CO 0.52 -0.10 1.92 0.00 0.52 0.00 0.00 175.17 178.02 2r6s h ALA 129 N 8.18 1.00 -0.20 3.66 0.00 -1.93 -0.15 119.26 129.82 2r6s h ALA 129 Ca -0.36 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 2r6s h ALA 129 Cb 1.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2r6s h ALA 129 CO 0.60 0.00 -0.50 1.98 0.00 0.00 0.00 179.25 181.33 2r6s h MET 130 N 0.00 0.56 0.00 0.00 1.85 -1.94 -3.34 114.93 112.06 2r6s h MET 130 Ca 0.00 -0.32 0.00 0.00 -0.61 0.00 0.00 59.70 58.77 2r6s h MET 130 Cb 0.48 0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.54 2r6s h MET 130 CO 0.00 0.92 -1.16 -1.13 -0.40 0.00 0.00 176.91 175.14 2r6s n SER 131 N -3.98 1.51 -0.78 1.39 3.41 -1.04 -4.98 113.62 109.14 2r6s n SER 131 Ca -0.03 -0.32 -0.10 0.00 -0.26 0.00 0.00 58.87 58.16 2r6s n SER 131 Cb 0.57 1.34 -0.04 0.00 -0.26 0.00 0.00 64.21 65.82 2r6s n SER 131 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2r6s n GLY 132 N 1.59 1.13 3.40 5.00 0.00 -0.09 -5.00 105.19 111.21 2r6s n GLY 132 Ca -0.00 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 2r6s n GLY 132 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r6s s GLN 133 N -2.71 1.81 0.00 1.61 -1.52 -1.23 -4.90 119.66 112.73 2r6s s GLN 133 Ca 0.00 -2.08 0.22 0.00 -1.95 0.00 0.00 55.36 51.55 2r6s s GLN 133 Cb 0.00 -0.15 0.92 0.00 -0.22 0.00 0.00 33.01 33.56 2r6s s GLN 133 CO 0.00 -0.55 1.69 2.48 -0.25 0.00 0.00 175.29 178.66 2r6s n TYR 134 N -0.75 0.01 -4.19 0.91 4.11 -1.26 -0.57 117.16 115.41 2r6s n TYR 134 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.79 2r6s n TYR 134 Cb 0.64 -0.51 -0.10 0.00 -0.00 0.00 0.00 39.34 39.37 2r6s n TYR 134 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 2r6s s TYR 135 N -3.00 1.08 -0.02 -3.48 1.13 -1.26 -4.53 117.35 107.26 2r6s s TYR 135 Ca 0.10 -1.27 0.01 0.00 -1.41 0.00 0.00 57.07 54.50 2r6s s TYR 135 Cb 0.14 -0.57 0.02 0.00 -1.10 0.00 0.00 41.96 40.45 2r6s s TYR 135 CO 0.39 -0.52 -0.01 0.00 -2.51 0.00 0.00 175.55 172.90 2r6s s ALA 136 N -4.02 0.35 -0.09 9.51 0.00 -0.76 -4.74 121.76 122.01 2r6s s ALA 136 Ca 0.31 0.07 -0.01 0.00 0.00 0.00 0.00 51.96 52.34 2r6s s ALA 136 Cb 0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 2r6s s ALA 136 CO 0.07 -0.03 -0.04 1.03 0.00 0.00 0.00 175.76 176.80 2r6s s ARG 137 N 0.75 2.96 0.01 0.00 0.52 -1.26 -0.58 118.95 121.35 2r6s s ARG 137 Ca -0.08 -0.49 -0.02 0.00 -0.52 0.00 0.00 55.73 54.62 2r6s s ARG 137 Cb -0.11 -2.71 -0.01 0.00 0.52 0.00 0.00 34.95 32.64 2r6s s ARG 137 CO -0.01 0.62 0.03 -0.59 0.02 0.00 0.00 175.30 175.37 2r6s s PHE 138 N -0.68 0.13 -0.12 -0.53 -0.71 -0.51 -5.00 117.98 110.57 2r6s s PHE 138 Ca 0.10 -0.28 -0.01 0.00 -1.04 0.00 0.00 56.93 55.70 2r6s s PHE 138 Cb -0.12 -0.11 -0.03 0.00 -1.21 0.00 0.00 43.02 41.56 2r6s s PHE 138 CO 0.02 -0.18 -0.06 0.08 -1.34 0.00 0.00 175.22 173.73 2r6s s VAL 139 N -1.12 3.69 -0.19 -2.49 1.01 -1.26 -1.39 120.40 118.65 2r6s s VAL 139 Ca -0.12 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 2r6s s VAL 139 Cb -0.07 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 2r6s s VAL 139 CO -0.00 0.54 -0.04 -0.69 0.00 0.00 0.00 175.10 174.90 2r6s s VAL 140 N -0.07 3.60 0.26 2.92 1.01 0.13 -4.99 120.40 123.25 2r6s s VAL 140 Ca 0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 2r6s s VAL 140 Cb -0.13 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.65 2r6s s VAL 140 CO 0.03 0.45 0.37 2.29 0.00 0.00 0.00 175.10 178.24 2r6s n LYS 141 N 4.17 0.53 -1.26 2.72 2.85 -1.26 -1.05 118.16 124.87 2r6s n LYS 141 Ca -0.18 -2.00 0.00 0.00 -1.05 0.00 0.00 58.31 55.08 2r6s n LYS 141 Cb 0.52 1.96 0.00 0.00 -0.65 0.00 0.00 35.03 36.85 2r6s n LYS 141 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2r6s n ASN 142 N -1.74 0.00 -0.30 -5.58 5.03 -1.26 -5.06 115.26 106.35 2r6s n ASN 142 Ca 0.00 0.00 -0.05 0.00 0.87 0.00 0.00 54.58 55.40 2r6s n ASN 142 Cb 0.43 0.00 0.07 0.00 -1.02 0.00 0.00 39.78 39.26 2r6s n ASN 142 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 2r6s h TYR 149 N 0.00 1.19 0.00 3.10 3.20 -2.07 -3.50 116.97 118.89 2r6s h TYR 149 Ca 0.00 -0.06 -0.11 0.00 3.14 0.00 0.00 58.73 61.70 2r6s h TYR 149 Cb 0.00 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 37.89 2r6s h TYR 149 CO 0.00 0.87 -0.73 1.25 -1.64 0.00 0.00 178.16 177.91 2r6s h LEU 150 N 1.17 0.00 -0.72 2.82 5.85 -2.03 -3.28 115.31 119.12 2r6s h LEU 150 Ca 0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.00 2r6s h LEU 150 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2r6s h LEU 150 CO -0.03 0.47 0.00 0.54 -0.34 0.00 0.00 178.44 179.08 2r6s n ARG 151 N -3.11 1.28 -3.47 1.25 1.74 -1.26 -4.96 116.66 108.12 2r6s n ARG 151 Ca -0.01 -0.30 -0.37 0.00 -0.77 0.00 0.00 57.85 56.41 2r6s n ARG 151 Cb 0.74 -1.29 -0.07 0.00 -1.02 0.00 0.00 32.46 30.82 2r6s n ARG 151 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2r6s s GLN 152 N -1.58 4.26 0.10 5.56 -0.21 -1.24 -5.00 119.66 121.55 2r6s s GLN 152 Ca 0.05 0.21 -0.31 0.00 0.02 0.00 0.00 55.36 55.33 2r6s s GLN 152 Cb 0.03 -3.42 -0.13 0.00 1.00 0.00 0.00 33.01 30.50 2r6s s GLN 152 CO 0.03 0.23 1.61 -1.00 -2.12 0.00 0.00 175.29 174.04 2r6s h PRO 153 N 6.61 -0.69 0.00 2.91 0.13 -1.93 -1.70 132.00 137.32 2r6s h PRO 153 Ca -0.42 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2r6s h PRO 153 Cb 1.17 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2r6s h PRO 153 CO 0.75 -0.46 0.00 1.58 -0.23 0.00 0.00 178.00 179.64 2r6s n HIS 154 N -5.46 0.00 -3.43 1.56 -0.00 -1.25 -1.65 115.22 104.99 2r6s n HIS 154 Ca -0.09 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.70 2r6s n HIS 154 Cb 0.36 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.14 2r6s n HIS 154 CO 0.00 0.00 0.00 0.50 0.46 0.00 0.00 176.34 177.30 2r6s s ARG 155 N -2.00 4.01 0.20 1.57 3.52 -0.64 -4.87 118.95 120.73 2r6s s ARG 155 Ca 0.09 -0.02 -0.31 0.00 -0.13 0.00 0.00 55.73 55.36 2r6s s ARG 155 Cb 0.04 -3.65 -0.10 0.00 -1.56 0.00 0.00 34.95 29.67 2r6s s ARG 155 CO 0.07 -0.25 1.57 0.08 -0.81 0.00 0.00 175.30 175.96 2r6s s VAL 156 N 1.99 2.48 -0.28 7.11 1.01 -1.26 -4.17 120.40 127.28 2r6s s VAL 156 Ca 0.14 0.36 -0.26 0.00 0.00 0.00 0.00 61.98 62.21 2r6s s VAL 156 Cb -0.16 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.00 2r6s s VAL 156 CO 0.10 0.04 0.91 -0.32 0.00 0.00 0.00 175.10 175.83 2r6s s MET 157 N 0.73 4.09 0.63 2.72 1.75 0.14 -4.97 119.30 124.39 2r6s s MET 157 Ca 0.68 0.92 -0.18 0.00 -1.25 0.00 0.00 55.69 55.86 2r6s s MET 157 Cb -0.45 -3.70 -0.02 0.00 2.84 0.00 0.00 34.83 33.51 2r6s s MET 157 CO 0.35 -0.69 1.28 -1.21 -0.65 0.00 0.00 175.02 174.10 2r6s s GLU 158 N 3.15 2.68 0.34 4.11 8.01 -1.26 -1.60 118.70 134.13 2r6s s GLU 158 Ca 0.38 2.02 -0.29 0.00 0.01 0.00 0.00 54.97 57.09 2r6s s GLU 158 Cb -0.14 -1.88 -0.11 0.00 -4.31 0.00 0.00 34.13 27.68 2r6s s GLU 158 CO 0.11 -1.49 1.52 1.28 0.01 0.00 0.00 175.26 176.70 2r6s n LEU 159 N -1.79 4.53 -3.84 1.80 4.77 -1.26 -4.52 117.00 116.69 2r6s n LEU 159 Ca 0.15 1.19 -0.07 0.00 -0.03 0.00 0.00 56.01 57.25 2r6s n LEU 159 Cb 0.48 -1.60 -0.01 0.00 -2.33 0.00 0.00 43.42 39.96 2r6s n LEU 159 CO 0.47 0.12 0.51 -1.38 -1.33 0.00 0.00 177.39 175.78 2r6s s HIS 160 N -0.65 -0.10 0.04 -1.77 -3.43 -0.14 -4.78 115.29 104.46 2r6s s HIS 160 Ca 0.58 -0.40 0.02 0.00 -0.80 0.00 0.00 55.06 54.46 2r6s s HIS 160 Cb -0.49 0.74 -0.04 0.00 -1.43 0.00 0.00 32.58 31.36 2r6s s HIS 160 CO 0.57 -1.29 0.06 -0.80 -2.00 0.00 0.00 174.74 171.29 2r6s s ASN 161 N -2.97 5.47 0.65 7.38 -0.87 0.38 -1.11 114.94 123.86 2r6s s ASN 161 Ca 0.12 0.03 -0.09 0.00 -1.57 0.00 0.00 52.86 51.35 2r6s s ASN 161 Cb -0.05 -1.49 0.00 0.00 -0.02 0.00 0.00 41.25 39.69 2r6s s ASN 161 CO 0.08 0.23 1.01 -1.81 -2.57 0.00 0.00 177.10 174.04 2r6s s ASP 162 N -2.00 5.66 -0.27 -1.22 1.11 -1.26 -4.47 116.67 114.22 2r6s s ASP 162 Ca 0.25 1.05 0.00 0.00 0.18 0.00 0.00 52.55 54.03 2r6s s ASP 162 Cb -0.12 -1.97 0.00 0.00 1.07 0.00 0.00 42.92 41.90 2r6s s ASP 162 CO 0.17 -1.14 0.00 0.61 1.18 0.00 0.00 175.17 175.99 2r6s n GLY 163 N -2.80 0.58 0.08 0.21 0.00 -1.26 -4.74 105.19 97.27 2r6s n GLY 163 Ca 0.06 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.37 2r6s n GLY 163 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2r6s n THR 164 N -2.91 0.60 -0.58 2.61 -2.24 -1.26 -3.75 114.28 106.74 2r6s n THR 164 Ca -0.03 -0.03 0.07 0.00 -2.27 0.00 0.00 64.05 61.79 2r6s n THR 164 Cb 0.09 -0.78 0.17 0.00 -2.10 0.00 0.00 70.33 67.72 2r6s n THR 164 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2r6s n TYR 165 N -2.04 0.54 -4.41 4.78 0.18 -1.26 -4.84 117.16 110.11 2r6s n TYR 165 Ca 0.05 -0.71 -0.24 0.00 1.88 0.00 0.00 57.90 58.88 2r6s n TYR 165 Cb 0.33 -0.16 -0.09 0.00 -0.38 0.00 0.00 39.34 39.04 2r6s n TYR 165 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 2r6s s VAL 166 N -1.94 2.81 0.12 -3.48 -7.23 -1.25 -4.56 120.40 104.88 2r6s s VAL 166 Ca 0.29 -2.23 -0.10 0.00 -1.81 0.00 0.00 61.98 58.12 2r6s s VAL 166 Cb 0.21 -2.48 -0.13 0.00 0.56 0.00 0.00 36.38 34.53 2r6s s VAL 166 CO 0.10 -0.39 1.35 -0.33 -0.31 0.00 0.00 175.10 175.52 2r6s h GLU 167 N 2.15 0.73 -6.96 4.82 4.39 -1.93 -3.44 114.58 114.34 2r6s h GLU 167 Ca -0.42 -0.57 -0.51 0.00 0.34 0.00 0.00 59.36 58.21 2r6s h GLU 167 Cb 1.26 0.11 0.06 0.00 -0.10 0.00 0.00 28.75 30.07 2r6s h GLU 167 CO 0.60 1.18 0.50 -1.21 -1.16 0.00 0.00 179.01 178.93 2r6s s GLU 168 N -3.80 3.98 -0.03 2.33 8.01 -1.26 -5.02 118.70 122.92 2r6s s GLU 168 Ca -0.09 1.83 -0.24 0.00 0.01 0.00 0.00 54.97 56.48 2r6s s GLU 168 Cb 0.09 -2.61 -0.04 0.00 -4.31 0.00 0.00 34.13 27.26 2r6s s GLU 168 CO 0.89 -0.38 0.72 0.42 0.01 0.00 0.00 175.26 176.92 2r6s s ILE 169 N -1.44 4.96 -0.35 -1.63 -1.09 -1.26 -4.96 121.20 115.42 2r6s s ILE 169 Ca 0.59 1.50 -0.23 0.00 -2.23 0.00 0.00 60.65 60.27 2r6s s ILE 169 Cb -0.30 -4.06 0.01 0.00 -1.58 0.00 0.00 42.46 36.52 2r6s s ILE 169 CO 0.38 0.29 0.79 -0.89 -1.23 0.00 0.00 174.94 174.27 2r6s s THR 170 N 0.53 4.75 -0.03 2.92 2.01 -1.26 -4.67 115.64 119.89 2r6s s THR 170 Ca 0.38 0.97 0.10 0.00 0.31 0.00 0.00 61.69 63.45 2r6s s THR 170 Cb -0.19 -4.20 -0.23 0.00 0.01 0.00 0.00 72.50 67.90 2r6s s THR 170 CO 0.20 -0.39 0.73 0.44 -0.69 0.00 0.00 174.62 174.91 2r6s h ASP 171 N 8.38 0.03 -4.79 3.53 3.32 -1.11 -3.43 116.42 122.36 2r6s h ASP 171 Ca -0.25 -0.07 -0.26 0.00 0.02 0.00 0.00 57.03 56.48 2r6s h ASP 171 Cb 1.09 -0.01 -0.21 0.00 0.22 0.00 0.00 39.33 40.43 2r6s h ASP 171 CO 0.90 1.06 -0.73 -0.72 -1.72 0.00 0.00 179.24 178.04 2r6s s TYR 172 N -2.61 0.62 -0.08 4.55 -0.85 -0.96 -0.93 117.35 117.10 2r6s s TYR 172 Ca -0.05 -0.53 0.03 0.00 -0.52 0.00 0.00 57.07 56.00 2r6s s TYR 172 Cb 0.08 -0.38 0.01 0.00 0.38 0.00 0.00 41.96 42.05 2r6s s TYR 172 CO 0.82 -0.11 -0.18 0.08 -1.52 0.00 0.00 175.55 174.65 2r6s s VAL 173 N -1.54 1.59 -0.15 -3.49 1.01 -0.79 -2.31 120.40 114.72 2r6s s VAL 173 Ca -0.10 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.16 2r6s s VAL 173 Cb -0.09 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.90 2r6s s VAL 173 CO -0.00 0.46 -0.21 -0.22 0.00 0.00 0.00 175.10 175.12 2r6s s LEU 174 N 0.50 2.10 -0.15 3.92 0.20 0.27 -1.35 118.68 124.16 2r6s s LEU 174 Ca -0.17 -0.61 -0.01 0.00 0.69 0.00 0.00 54.13 54.04 2r6s s LEU 174 Cb -0.17 -1.44 0.04 0.00 -0.43 0.00 0.00 46.19 44.19 2r6s s LEU 174 CO 0.06 0.05 -0.06 -0.04 -0.29 0.00 0.00 176.35 176.08 2r6s s MET 175 N 0.96 1.42 -0.06 1.98 -1.94 -0.59 -1.71 119.30 119.36 2r6s s MET 175 Ca -0.03 -0.42 0.03 0.00 -1.71 0.00 0.00 55.69 53.55 2r6s s MET 175 Cb -0.15 -1.86 -0.03 0.00 2.01 0.00 0.00 34.83 34.81 2r6s s MET 175 CO -0.05 -0.39 -0.12 1.41 -0.01 0.00 0.00 175.02 175.86 2r6s s MET 176 N 1.67 2.61 -0.36 2.03 0.00 0.42 -0.96 119.30 124.71 2r6s s MET 176 Ca 0.02 -0.65 -0.20 0.00 0.00 0.00 0.00 55.69 54.86 2r6s s MET 176 Cb -0.14 -2.45 0.00 0.00 0.00 0.00 0.00 34.83 32.24 2r6s s MET 176 CO -0.08 0.62 0.60 0.21 0.00 0.00 0.00 175.02 176.37 2r6s s LYS 177 N -0.72 3.62 -0.18 4.11 2.47 -0.61 -1.49 119.74 126.93 2r6s s LYS 177 Ca 0.11 -0.06 -0.01 0.00 -1.56 0.00 0.00 55.97 54.46 2r6s s LYS 177 Cb -0.11 -3.82 -0.22 0.00 -1.46 0.00 0.00 37.83 32.22 2r6s s LYS 177 CO 0.01 -0.73 0.09 -0.89 0.16 0.00 0.00 175.35 173.98 2r6s n ILE 178 N 5.56 1.62 -3.89 5.43 2.08 0.21 -1.31 119.36 129.07 2r6s n ILE 178 Ca -0.02 -0.63 -0.10 0.00 0.56 0.00 0.00 62.75 62.55 2r6s n ILE 178 Cb 0.49 -1.50 -0.09 0.00 -0.75 0.00 0.00 39.64 37.79 2r6s n ILE 178 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2r6s s ASP 179 N -6.68 0.09 -0.27 4.38 2.15 -0.68 -3.68 116.67 111.97 2r6s s ASP 179 Ca -0.27 -0.39 -0.02 0.00 0.43 0.00 0.00 52.55 52.30 2r6s s ASP 179 Cb 0.08 0.24 0.16 0.00 -0.30 0.00 0.00 42.92 43.10 2r6s s ASP 179 CO 0.70 -0.48 0.50 -0.70 -0.17 0.00 0.00 175.17 175.02 2r6s s GLU 180 N -2.21 0.47 -0.03 4.34 2.56 -1.23 -1.18 118.70 121.41 2r6s s GLU 180 Ca -0.08 0.82 0.01 0.00 0.00 0.00 0.00 54.97 55.72 2r6s s GLU 180 Cb -0.03 0.12 0.02 0.00 2.00 0.00 0.00 34.13 36.24 2r6s s GLU 180 CO -0.02 -0.61 -0.04 -0.65 -0.56 0.00 0.00 175.26 173.38 2r6s s GLN 181 N 2.72 0.66 -1.38 4.30 -0.21 0.43 -4.89 119.66 121.28 2r6s s GLN 181 Ca 0.16 -0.09 -0.02 0.00 0.02 0.00 0.00 55.36 55.43 2r6s s GLN 181 Cb -0.15 -0.69 0.01 0.00 1.00 0.00 0.00 33.01 33.19 2r6s s GLN 181 CO -0.19 -0.04 0.60 0.09 -2.12 0.00 0.00 175.29 173.63 2r6s n ASN 182 N 3.82 -1.16 -4.26 5.90 3.02 -1.26 -1.77 115.26 119.55 2r6s n ASN 182 Ca -0.23 -0.90 -0.33 0.00 -0.03 0.00 0.00 54.58 53.08 2r6s n ASN 182 Cb 0.52 -3.56 -0.15 0.00 -0.61 0.00 0.00 39.78 35.98 2r6s n ASN 182 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2r6s s MET 183 N -6.32 3.22 -0.19 3.52 1.75 -1.26 -4.43 119.30 115.60 2r6s s MET 183 Ca 0.09 -0.74 -0.02 0.00 -1.25 0.00 0.00 55.69 53.77 2r6s s MET 183 Cb -0.04 -2.68 -0.00 0.00 2.84 0.00 0.00 34.83 34.94 2r6s s MET 183 CO 0.85 -0.03 -0.09 -0.65 -0.65 0.00 0.00 175.02 174.45 2r6s s GLN 184 N 0.95 3.31 1.77 4.11 -1.52 -1.26 -5.04 119.66 121.98 2r6s s GLN 184 Ca -0.03 -0.67 0.00 0.00 -1.95 0.00 0.00 55.36 52.71 2r6s s GLN 184 Cb -0.15 -2.85 0.00 0.00 -0.22 0.00 0.00 33.01 29.79 2r6s s GLN 184 CO -0.02 -0.11 0.00 0.41 -0.25 0.00 0.00 175.29 175.33 2r6s n GLY 185 N 4.47 -0.76 2.22 3.09 0.00 -1.26 -1.53 105.19 111.42 2r6s n GLY 185 Ca -0.19 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 2r6s n GLY 185 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r6s n GLY 186 N 0.00 0.64 3.67 -0.02 0.00 0.39 -4.87 105.19 104.99 2r6s n GLY 186 Ca 0.00 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 2r6s n GLY 186 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2r6s n ASN 187 N 0.48 1.22 -4.73 1.61 4.13 -1.26 -4.59 115.26 112.12 2r6s n ASN 187 Ca -0.09 0.76 -0.42 0.00 1.68 0.00 0.00 54.58 56.51 2r6s n ASN 187 Cb 0.40 -1.47 -0.03 0.00 -1.54 0.00 0.00 39.78 37.14 2r6s n ASN 187 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2r6s s SER 188 N -1.47 6.83 -0.10 6.41 0.01 -0.29 -0.87 113.70 124.21 2r6s s SER 188 Ca 0.78 2.42 -0.06 0.00 1.31 0.00 0.00 55.95 60.40 2r6s s SER 188 Cb -0.37 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.21 2r6s s SER 188 CO 0.45 -0.60 0.15 -0.76 0.41 0.00 0.00 173.24 172.89 2r6s s LEU 189 N 0.26 4.38 0.01 2.44 1.43 -0.46 -0.13 118.68 126.60 2r6s s LEU 189 Ca 0.60 0.44 0.01 0.00 -1.03 0.00 0.00 54.13 54.15 2r6s s LEU 189 Cb -0.37 -2.16 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 2r6s s LEU 189 CO 0.36 0.39 -0.04 -0.76 0.23 0.00 0.00 176.35 176.53 2r6s s LEU 190 N -1.18 2.12 -0.09 1.79 1.43 -0.52 -1.39 118.68 120.83 2r6s s LEU 190 Ca 0.17 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.98 2r6s s LEU 190 Cb -0.12 -0.10 0.04 0.00 0.03 0.00 0.00 46.19 46.04 2r6s s LEU 190 CO 0.06 -0.09 0.03 -0.22 0.23 0.00 0.00 176.35 176.36 2r6s s LEU 191 N -0.73 0.57 0.00 1.79 2.96 -0.28 0.54 118.68 123.53 2r6s s LEU 191 Ca -0.05 -0.22 -0.30 0.00 -0.22 0.00 0.00 54.13 53.34 2r6s s LEU 191 Cb -0.05 -0.38 -0.03 0.00 0.50 0.00 0.00 46.19 46.22 2r6s s LEU 191 CO -0.00 -0.24 1.03 -2.28 -1.32 0.00 0.00 176.35 173.54 2r6s s HIS 192 N 2.01 3.59 0.42 5.38 5.65 -1.26 -0.64 115.29 130.45 2r6s s HIS 192 Ca 0.04 1.60 0.16 0.00 0.25 0.00 0.00 55.06 57.10 2r6s s HIS 192 Cb -0.13 -3.19 1.05 0.00 -1.18 0.00 0.00 32.58 29.12 2r6s s HIS 192 CO -0.06 -0.31 1.90 -0.07 -0.65 0.00 0.00 174.74 175.55 2r6s h LEU 193 N 6.94 0.41 0.00 8.88 3.38 -1.30 0.11 115.31 133.73 2r6s h LEU 193 Ca -0.40 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2r6s h LEU 193 Cb 1.21 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2r6s h LEU 193 CO 0.77 0.20 0.00 0.47 0.09 0.00 0.00 178.44 179.97 2r6s n ASP 194 N -4.49 0.00 -0.87 -0.43 8.00 -1.26 -2.01 116.55 115.50 2r6s n ASP 194 Ca 0.16 -0.23 0.10 0.00 0.71 0.00 0.00 54.79 55.52 2r6s n ASP 194 Cb 0.57 -0.22 0.13 0.00 -0.02 0.00 0.00 41.12 41.58 2r6s n ASP 194 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2r6s n ASP 195 N -1.22 2.88 -4.57 -2.24 8.00 0.38 -4.93 116.55 114.85 2r6s n ASP 195 Ca 0.13 -1.86 -0.41 0.00 0.71 0.00 0.00 54.79 53.36 2r6s n ASP 195 Cb 0.16 -0.11 -0.07 0.00 -0.02 0.00 0.00 41.12 41.09 2r6s n ASP 195 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2r6s s TRP 196 N -1.46 3.17 -0.15 1.24 -0.00 -0.85 -3.92 118.94 116.97 2r6s s TRP 196 Ca 0.27 0.28 0.28 0.00 -0.00 0.00 0.00 56.10 56.94 2r6s s TRP 196 Cb 0.17 -3.03 1.27 0.00 -0.00 0.00 0.00 33.47 31.88 2r6s s TRP 196 CO 0.25 -0.58 1.85 1.05 -0.00 0.00 0.00 176.95 179.53 2r6s h GLU 197 N 8.44 0.00 -0.46 5.86 9.09 -1.92 -2.79 114.58 132.81 2r6s h GLU 197 Ca -0.27 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.14 2r6s h GLU 197 Cb 1.12 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.22 2r6s h GLU 197 CO 0.80 0.00 0.00 0.72 0.05 0.00 0.00 179.01 180.58 2r6s n HIS 198 N -2.58 0.60 -0.11 2.06 8.25 -1.26 -4.68 115.22 117.50 2r6s n HIS 198 Ca 0.01 -0.40 -0.05 0.00 -0.26 0.00 0.00 57.72 57.01 2r6s n HIS 198 Cb 0.21 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.32 2r6s n HIS 198 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2r6s h LEU 199 N 3.32 -0.50 -0.81 2.41 5.85 -1.81 -2.51 115.31 121.26 2r6s h LEU 199 Ca 0.00 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 2r6s h LEU 199 Cb 0.85 0.29 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 2r6s h LEU 199 CO 0.00 -0.18 0.42 0.44 -0.34 0.00 0.00 178.44 178.78 2r6s h ASP 200 N -0.06 1.03 -0.42 1.25 3.32 -1.85 0.29 116.42 119.96 2r6s h ASP 200 Ca 0.19 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 2r6s h ASP 200 Cb 0.35 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 2r6s h ASP 200 CO -0.43 0.85 0.19 -0.74 -1.72 0.00 0.00 179.24 177.39 2r6s h HIS 201 N 1.13 0.62 0.20 4.55 2.76 -1.79 -1.77 115.15 120.84 2r6s h HIS 201 Ca 0.28 -0.03 -0.32 0.00 -2.20 0.00 0.00 60.37 58.10 2r6s h HIS 201 Cb 0.06 -0.19 0.02 0.00 1.55 0.00 0.00 27.41 28.86 2r6s h HIS 201 CO 0.01 0.52 -1.42 1.88 -1.30 0.00 0.00 177.93 177.61 2r6s h TYR 202 N 0.54 0.77 -0.25 5.26 0.05 -1.13 -3.25 116.97 118.96 2r6s h TYR 202 Ca 0.14 -0.56 -0.06 0.00 0.05 0.00 0.00 58.73 58.31 2r6s h TYR 202 Cb 0.14 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 2r6s h TYR 202 CO -0.01 1.46 -0.09 0.35 -1.05 0.00 0.00 178.16 178.82 2r6s h PHE 203 N 0.11 0.43 -0.01 4.88 3.57 -0.36 -2.57 116.94 122.99 2r6s h PHE 203 Ca -0.22 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.23 2r6s h PHE 203 Cb 2.09 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.71 2r6s h PHE 203 CO 0.10 0.50 -0.08 0.54 -2.23 0.00 0.00 178.31 177.14 2r6s n ARG 204 N -4.25 1.21 -2.47 1.11 1.74 -0.67 -4.72 116.66 108.61 2r6s n ARG 204 Ca 0.00 -0.59 -0.41 0.00 -0.77 0.00 0.00 57.85 56.09 2r6s n ARG 204 Cb 0.28 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.19 2r6s n ARG 204 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2r6s s HIS 205 N -2.20 3.55 0.44 -1.55 2.46 -0.97 -4.95 115.29 112.08 2r6s s HIS 205 Ca 0.35 1.61 0.24 0.00 0.47 0.00 0.00 55.06 57.73 2r6s s HIS 205 Cb 0.21 -3.31 1.24 0.00 -0.13 0.00 0.00 32.58 30.58 2r6s s HIS 205 CO 0.41 -0.69 1.79 -1.35 -2.47 0.00 0.00 174.74 172.43 2r6s h PRO 206 N 4.51 0.26 0.00 2.88 0.11 -1.88 -1.36 132.00 136.53 2r6s h PRO 206 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2r6s h PRO 206 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2r6s h PRO 206 CO 0.70 0.17 0.00 1.28 -0.21 0.00 0.00 178.00 179.95 2r6s n LEU 207 N -4.49 0.17 0.29 2.35 4.77 -1.26 -2.46 117.00 116.36 2r6s n LEU 207 Ca 0.24 0.53 0.15 0.00 -0.03 0.00 0.00 56.01 56.90 2r6s n LEU 207 Cb 0.96 -0.50 0.88 0.00 -2.33 0.00 0.00 43.42 42.42 2r6s n LEU 207 CO 0.30 -0.24 1.09 0.00 -1.33 0.00 0.00 177.39 177.21 2r6s h ALA 208 N 2.58 1.45 -0.02 -1.18 0.00 -1.45 -2.80 119.26 117.84 2r6s h ALA 208 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2r6s h ALA 208 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2r6s h ALA 208 CO 0.00 0.04 -0.04 0.54 0.00 0.00 0.00 179.25 179.79 2r6s n ARG 209 N -3.78 1.13 -2.48 0.00 1.74 -1.03 -2.96 116.66 109.29 2r6s n ARG 209 Ca -0.03 -1.26 -0.43 0.00 -0.77 0.00 0.00 57.85 55.37 2r6s n ARG 209 Cb 0.12 -1.26 -0.02 0.00 -1.02 0.00 0.00 32.46 30.28 2r6s n ARG 209 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2r6s s ARG 210 N -1.27 3.89 0.15 5.56 6.06 -1.06 -4.77 118.95 127.50 2r6s s ARG 210 Ca 0.16 1.10 -0.33 0.00 -2.50 0.00 0.00 55.73 54.16 2r6s s ARG 210 Cb 0.12 -3.87 -0.13 0.00 0.06 0.00 0.00 34.95 31.13 2r6s s ARG 210 CO 0.21 -1.16 1.65 -2.30 -2.50 0.00 0.00 175.30 171.20 2r6s n PRO 211 N 7.37 2.34 -4.40 5.12 -0.02 -1.26 -4.10 135.00 140.05 2r6s n PRO 211 Ca 0.14 0.84 -0.25 0.00 -2.02 0.00 0.00 63.50 62.21 2r6s n PRO 211 Cb 0.47 -2.65 -0.12 0.00 -0.02 0.00 0.00 33.50 31.19 2r6s n PRO 211 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2r6s s MET 212 N 1.38 1.45 0.13 -0.52 -1.94 -0.46 -4.80 119.30 114.53 2r6s s MET 212 Ca 0.79 -1.50 -0.30 0.00 -1.71 0.00 0.00 55.69 52.97 2r6s s MET 212 Cb -0.63 -1.69 -0.07 0.00 2.01 0.00 0.00 34.83 34.45 2r6s s MET 212 CO 0.38 0.36 1.21 0.50 -0.01 0.00 0.00 175.02 177.46 2r6s s ARG 213 N -2.72 4.45 -0.06 2.03 3.52 -1.26 -1.47 118.95 123.44 2r6s s ARG 213 Ca 0.19 1.84 0.04 0.00 -0.13 0.00 0.00 55.73 57.68 2r6s s ARG 213 Cb -0.07 -3.29 -0.00 0.00 -1.56 0.00 0.00 34.95 30.03 2r6s s ARG 213 CO 0.09 -0.19 -0.20 -0.06 -0.81 0.00 0.00 175.30 174.14 2r6s s PHE 214 N 0.52 2.03 -0.05 5.12 0.40 0.30 -0.77 117.98 125.54 2r6s s PHE 214 Ca 0.56 -0.69 0.02 0.00 -0.60 0.00 0.00 56.93 56.23 2r6s s PHE 214 Cb -0.32 -1.37 0.01 0.00 0.51 0.00 0.00 43.02 41.86 2r6s s PHE 214 CO 0.33 -0.26 -0.09 0.00 0.70 0.00 0.00 175.22 175.90 2r6s s ALA 215 N 0.18 0.96 0.69 5.36 0.00 -0.58 -2.09 121.76 126.28 2r6s s ALA 215 Ca -0.09 -0.28 -0.16 0.00 0.00 0.00 0.00 51.96 51.42 2r6s s ALA 215 Cb -0.14 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 2r6s s ALA 215 CO 0.04 0.09 0.95 0.00 0.00 0.00 0.00 175.76 176.85 2r6s n ALA 216 N 3.71 -0.17 0.78 0.00 0.00 -1.26 -4.69 120.51 118.88 2r6s n ALA 216 Ca -0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 53.44 53.07 2r6s n ALA 216 Cb 0.52 -2.11 0.04 0.00 0.00 0.00 0.00 19.45 17.90 2r6s n ALA 216 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2r6s n PRO 217 N -1.62 1.36 -1.64 0.00 -0.04 -1.26 -5.12 135.00 126.69 2r6s n PRO 217 Ca 0.13 -0.35 -0.47 0.00 -0.04 0.00 0.00 63.50 62.77 2r6s n PRO 217 Cb 0.49 -1.47 -0.04 0.00 -0.04 0.00 0.00 33.50 32.44 2r6s n PRO 217 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2r6s n LYS 224 N 0.13 1.75 -1.99 0.54 4.81 -1.26 -5.27 118.16 116.87 2r6s n LYS 224 Ca 0.04 0.63 -0.36 0.00 -0.87 0.00 0.00 58.31 57.74 2r6s n LYS 224 Cb 0.43 -2.28 0.03 0.00 0.02 0.00 0.00 35.03 33.23 2r6s n LYS 224 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2r6s s ASP 225 N 0.41 5.22 0.24 3.14 1.01 -1.26 -4.96 116.67 120.47 2r6s s ASP 225 Ca 0.74 2.44 0.12 0.00 0.71 0.00 0.00 52.55 56.56 2r6s s ASP 225 Cb -0.74 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 40.53 2r6s s ASP 225 CO 0.47 -1.58 -0.21 0.68 0.21 0.00 0.00 175.17 174.74 2r6s s VAL 226 N -1.54 2.48 -0.13 -1.27 -7.23 -0.89 -4.98 120.40 106.84 2r6s s VAL 226 Ca 0.76 -2.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 2r6s s VAL 226 Cb -0.32 -2.25 0.02 0.00 0.56 0.00 0.00 36.38 34.40 2r6s s VAL 226 CO 0.35 -0.26 -0.11 -0.36 -0.31 0.00 0.00 175.10 174.40 2r6s s PHE 227 N -2.11 1.88 0.08 2.82 0.40 -1.26 -0.54 117.98 119.26 2r6s s PHE 227 Ca 0.26 -1.02 -0.17 0.00 -0.60 0.00 0.00 56.93 55.39 2r6s s PHE 227 Cb -0.06 -1.44 0.04 0.00 0.51 0.00 0.00 43.02 42.06 2r6s s PHE 227 CO 0.13 -0.61 0.41 -3.38 0.70 0.00 0.00 175.22 172.48 2r6s s HIS 228 N 1.58 -0.25 0.90 0.36 -3.43 -0.54 -4.82 115.29 109.10 2r6s s HIS 228 Ca 0.05 0.08 -0.11 0.00 -0.80 0.00 0.00 55.06 54.28 2r6s s HIS 228 Cb -0.13 0.25 0.13 0.00 -1.43 0.00 0.00 32.58 31.40 2r6s s HIS 228 CO -0.10 -0.64 1.09 -2.14 -2.00 0.00 0.00 174.74 170.96 2r6s s PRO 229 N -3.11 1.19 0.21 -0.38 0.02 -1.26 -1.35 135.00 130.32 2r6s s PRO 229 Ca -0.01 0.86 0.08 0.00 0.02 0.00 0.00 61.00 61.95 2r6s s PRO 229 Cb 0.00 -1.80 0.12 0.00 0.02 0.00 0.00 34.50 32.85 2r6s s PRO 229 CO -0.07 -2.30 1.47 0.28 -0.33 0.00 0.00 177.00 176.05 2r6s h VAL 230 N -1.59 1.53 -2.58 3.83 2.07 -1.76 -3.43 116.25 114.32 2r6s h VAL 230 Ca -0.49 -2.59 -0.60 0.00 0.82 0.00 0.00 66.70 63.84 2r6s h VAL 230 Cb 1.28 2.40 -0.13 0.00 -1.52 0.00 0.00 31.29 33.32 2r6s h VAL 230 CO 0.54 0.74 -0.71 -0.36 0.02 0.00 0.00 177.57 177.80 2r6s s PHE 231 N -3.28 2.55 0.00 1.57 0.08 -1.15 -0.98 117.98 116.77 2r6s s PHE 231 Ca -0.01 -0.26 0.00 0.00 0.12 0.00 0.00 56.93 56.78 2r6s s PHE 231 Cb 0.11 -1.18 0.00 0.00 -0.57 0.00 0.00 43.02 41.38 2r6s s PHE 231 CO 0.79 0.59 0.00 -3.47 -0.10 0.00 0.00 175.22 173.03 2r6s n ASP 232 N -0.40 0.00 -4.24 1.36 -0.08 0.03 -4.77 116.55 108.45 2r6s n ASP 232 Ca -0.08 -0.55 -0.20 0.00 -1.51 0.00 0.00 54.79 52.44 2r6s n ASP 232 Cb 0.58 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.92 2r6s n ASP 232 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2r6s s VAL 233 N -1.94 1.41 0.39 5.18 -7.23 -1.26 -0.74 120.40 116.22 2r6s s VAL 233 Ca 0.00 -1.55 -0.07 0.00 -1.81 0.00 0.00 61.98 58.55 2r6s s VAL 233 Cb 0.00 -1.42 0.09 0.00 0.56 0.00 0.00 36.38 35.62 2r6s s VAL 233 CO 0.00 -0.25 0.47 -0.90 -0.31 0.00 0.00 175.10 174.11 2r6s n ASP 234 N 0.91 -0.41 0.30 4.85 5.68 0.32 -4.81 116.55 123.38 2r6s n ASP 234 Ca -0.18 -1.04 0.17 0.00 -0.50 0.00 0.00 54.79 53.23 2r6s n ASP 234 Cb 0.55 -0.38 0.92 0.00 -1.14 0.00 0.00 41.12 41.08 2r6s n ASP 234 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 2r6s h GLN 235 N 0.00 0.00 -0.26 0.11 4.20 -2.02 -2.23 115.11 114.91 2r6s h GLN 235 Ca -0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2r6s h GLN 235 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2r6s h GLN 235 CO 0.11 0.04 0.00 1.04 -0.67 0.00 0.00 178.83 179.35 2r6s n GLN 236 N -3.54 2.44 -0.53 1.46 3.00 -1.26 -4.95 117.38 114.00 2r6s n GLN 236 Ca -0.02 -2.15 0.00 0.00 -0.01 0.00 0.00 57.00 54.81 2r6s n GLN 236 Cb 0.14 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.88 2r6s n GLN 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2r6s n GLY 237 N 1.45 0.74 3.78 1.08 0.00 -0.84 -5.05 105.19 106.35 2r6s n GLY 237 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2r6s n GLY 237 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r6s s ARG 238 N -0.47 4.57 0.30 1.61 0.52 -1.26 -4.74 118.95 119.48 2r6s s ARG 238 Ca 0.00 1.19 -0.29 0.00 -0.52 0.00 0.00 55.73 56.11 2r6s s ARG 238 Cb 0.00 -3.17 -0.13 0.00 0.52 0.00 0.00 34.95 32.17 2r6s s ARG 238 CO 0.00 0.52 1.28 -2.30 0.02 0.00 0.00 175.30 174.82 2r6s n PRO 239 N 1.37 1.97 -4.33 3.54 -0.02 -1.26 -0.52 135.00 135.75 2r6s n PRO 239 Ca -0.04 0.69 -0.17 0.00 -2.02 0.00 0.00 63.50 61.96 2r6s n PRO 239 Cb 0.49 -2.27 -0.10 0.00 -0.02 0.00 0.00 33.50 31.60 2r6s n PRO 239 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2r6s s VAL 240 N -0.75 1.19 0.08 -1.45 -7.23 0.08 -4.73 120.40 107.59 2r6s s VAL 240 Ca 0.60 -2.06 0.06 0.00 -1.81 0.00 0.00 61.98 58.77 2r6s s VAL 240 Cb -0.62 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.05 2r6s s VAL 240 CO 0.58 -0.42 -0.16 -0.04 -0.31 0.00 0.00 175.10 174.75 2r6s s MET 241 N -3.81 0.93 -0.44 4.82 -1.94 -0.50 -0.79 119.30 117.58 2r6s s MET 241 Ca 0.26 -1.00 0.05 0.00 -1.71 0.00 0.00 55.69 53.29 2r6s s MET 241 Cb 0.04 -1.02 0.20 0.00 2.01 0.00 0.00 34.83 36.07 2r6s s MET 241 CO 0.07 0.23 0.43 0.54 -0.01 0.00 0.00 175.02 176.28 2r6s n ARG 242 N 1.27 0.59 -4.37 2.03 1.74 -0.15 -4.70 116.66 113.07 2r6s n ARG 242 Ca -0.20 -3.36 -0.20 0.00 -0.77 0.00 0.00 57.85 53.31 2r6s n ARG 242 Cb 0.54 -1.61 -0.15 0.00 -1.02 0.00 0.00 32.46 30.22 2r6s n ARG 242 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2r6s s TYR 243 N -0.56 0.90 -0.20 -1.55 5.04 -1.26 -4.59 117.35 115.13 2r6s s TYR 243 Ca 0.33 -0.22 -0.12 0.00 -2.44 0.00 0.00 57.07 54.62 2r6s s TYR 243 Cb 0.08 -0.64 0.06 0.00 0.35 0.00 0.00 41.96 41.81 2r6s s TYR 243 CO -0.16 -0.09 0.49 -1.50 -1.34 0.00 0.00 175.55 172.95 2r6s s ILE 244 N 0.16 -0.02 0.44 3.14 2.07 -1.26 -0.47 121.20 125.26 2r6s s ILE 244 Ca -0.02 0.06 0.13 0.00 -1.41 0.00 0.00 60.65 59.40 2r6s s ILE 244 Cb -0.08 -0.72 0.20 0.00 0.13 0.00 0.00 42.46 41.99 2r6s s ILE 244 CO 0.00 0.02 2.00 -2.24 -1.91 0.00 0.00 174.94 172.82 2r6s h ASP 245 N 6.81 0.09 0.67 4.50 3.04 -1.94 -2.75 116.42 126.85 2r6s h ASP 245 Ca -0.34 -0.01 -0.18 0.00 -3.24 0.00 0.00 57.03 53.26 2r6s h ASP 245 Cb 1.19 -0.02 -0.02 0.00 -1.04 0.00 0.00 39.33 39.44 2r6s h ASP 245 CO 0.25 0.22 -0.81 1.56 -2.04 0.00 0.00 179.24 178.42 2r6s h GLN 246 N 0.10 0.09 0.00 4.15 4.20 -2.00 -3.35 115.11 118.31 2r6s h GLN 246 Ca 0.02 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2r6s h GLN 246 Cb 0.25 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2r6s h GLN 246 CO 0.02 0.85 -1.05 1.19 -0.67 0.00 0.00 178.83 179.17 2r6s n PHE 247 N -3.65 0.00 -2.51 2.96 3.72 -1.19 -4.94 117.46 111.86 2r6s n PHE 247 Ca -0.02 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.98 2r6s n PHE 247 Cb 0.77 -0.13 -0.04 0.00 -0.94 0.00 0.00 39.48 39.13 2r6s n PHE 247 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2r6s s VAL 248 N -2.58 3.55 -0.54 -4.37 0.11 -1.04 -1.53 120.40 114.00 2r6s s VAL 248 Ca 0.01 1.56 0.06 0.00 -2.93 0.00 0.00 61.98 60.68 2r6s s VAL 248 Cb 0.10 -4.00 0.21 0.00 -1.53 0.00 0.00 36.38 31.16 2r6s s VAL 248 CO 0.58 0.37 0.52 0.00 -3.33 0.00 0.00 175.10 173.24 2r6s n GLN 249 N 1.23 1.27 -1.56 1.54 1.13 0.05 -4.95 117.38 116.08 2r6s n GLN 249 Ca -0.01 -3.87 -0.52 0.00 -1.94 0.00 0.00 57.00 50.66 2r6s n GLN 249 Cb 0.45 -1.86 -0.06 0.00 0.11 0.00 0.00 30.24 28.89 2r6s n GLN 249 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2r6s n PRO 250 N 1.82 0.91 0.09 -1.09 -0.04 -1.26 -4.35 135.00 131.07 2r6s n PRO 250 Ca 0.25 0.33 0.12 0.00 -0.04 0.00 0.00 63.50 64.16 2r6s n PRO 250 Cb 0.44 -1.87 0.19 0.00 -0.04 0.00 0.00 33.50 32.22 2r6s n PRO 250 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2r6s h LYS 251 N 3.73 0.00 -3.39 0.54 2.10 -1.96 -3.46 116.57 114.13 2r6s h LYS 251 Ca -0.46 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.07 2r6s h LYS 251 Cb 1.36 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.67 2r6s h LYS 251 CO 0.72 0.00 0.12 0.16 -2.00 0.00 0.00 179.45 178.45 2r6s s ASP 252 N -4.61 0.37 0.42 7.07 1.47 -1.26 -5.06 116.67 115.07 2r6s s ASP 252 Ca 0.06 -1.30 0.08 0.00 1.18 0.00 0.00 52.55 52.57 2r6s s ASP 252 Cb 0.12 0.80 0.91 0.00 -0.34 0.00 0.00 42.92 44.40 2r6s s ASP 252 CO 0.70 -1.58 2.06 0.15 0.68 0.00 0.00 175.17 177.18 2r6s h PHE 253 N 2.03 0.47 0.34 2.11 3.57 -1.98 -0.34 116.94 123.13 2r6s h PHE 253 Ca -0.31 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.18 2r6s h PHE 253 Cb 1.25 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.83 2r6s h PHE 253 CO 1.49 0.29 -0.16 1.49 -2.23 0.00 0.00 178.31 179.19 2r6s h GLU 254 N 0.50 -0.44 -0.70 1.11 4.81 -2.00 -1.92 114.58 115.94 2r6s h GLU 254 Ca 0.15 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 2r6s h GLU 254 Cb -0.01 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 2r6s h GLU 254 CO -0.03 -0.16 0.16 0.93 -0.73 0.00 0.00 179.01 179.17 2r6s h GLU 255 N -0.68 1.12 0.48 1.92 5.08 -1.91 -2.88 114.58 117.71 2r6s h GLU 255 Ca -0.05 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 2r6s h GLU 255 Cb 0.48 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2r6s h GLU 255 CO 0.08 0.99 -0.23 0.78 -1.00 0.00 0.00 179.01 179.63 2r6s h GLY 256 N 1.08 -0.67 0.99 -3.84 0.00 -1.02 -1.52 103.07 98.09 2r6s h GLY 256 Ca 0.22 0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.80 2r6s h GLY 256 CO 0.00 -0.24 0.31 -2.08 0.00 0.00 0.00 176.54 174.53 2r6s h VAL 257 N -0.65 1.15 -0.51 4.60 2.07 -1.41 -1.37 116.25 120.12 2r6s h VAL 257 Ca -0.07 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2r6s h VAL 257 Cb 0.50 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2r6s h VAL 257 CO 0.11 0.15 0.34 -0.25 0.02 0.00 0.00 177.57 177.94 2r6s h TRP 258 N 0.66 0.65 -0.69 1.57 7.01 -1.50 -1.31 115.95 122.35 2r6s h TRP 258 Ca 0.18 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.15 2r6s h TRP 258 Cb -0.02 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.79 2r6s h TRP 258 CO -0.03 0.41 0.26 -0.07 -2.79 0.00 0.00 178.44 176.22 2r6s h LEU 259 N 0.70 0.94 -1.10 0.65 3.38 -1.06 0.00 115.31 118.82 2r6s h LEU 259 Ca 0.19 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2r6s h LEU 259 Cb -0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 2r6s h LEU 259 CO -0.04 0.85 -0.05 0.77 0.09 0.00 0.00 178.44 180.06 2r6s h SER 260 N 1.00 0.55 -0.31 -0.43 4.64 -0.56 0.06 113.55 118.50 2r6s h SER 260 Ca 0.23 -0.13 -0.11 0.00 -0.47 0.00 0.00 61.79 61.31 2r6s h SER 260 Cb 0.22 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 2r6s h SER 260 CO -0.02 0.66 -0.23 -0.33 -0.87 0.00 0.00 176.83 176.03 2r6s h GLU 261 N 0.55 0.71 -0.44 4.77 5.08 -0.87 -2.55 114.58 121.82 2r6s h GLU 261 Ca 0.11 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2r6s h GLU 261 Cb 0.42 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2r6s h GLU 261 CO 0.02 0.96 0.29 1.25 -1.00 0.00 0.00 179.01 180.53 2r6s h LEU 262 N 0.47 0.51 -0.36 1.33 5.85 -0.72 -0.96 115.31 121.43 2r6s h LEU 262 Ca 0.06 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.83 2r6s h LEU 262 Cb 0.79 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 2r6s h LEU 262 CO 0.06 0.38 -0.02 -1.28 -0.34 0.00 0.00 178.44 177.24 2r6s h SER 263 N 0.60 -0.19 -0.64 1.25 0.87 -0.99 -0.14 113.55 114.31 2r6s h SER 263 Ca 0.16 0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.76 2r6s h SER 263 Cb -0.06 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 2r6s h SER 263 CO -0.03 -0.06 0.22 0.44 -0.53 0.00 0.00 176.83 176.87 2r6s h ASP 264 N 0.08 0.93 -0.21 6.23 3.32 -1.23 -0.86 116.42 124.69 2r6s h ASP 264 Ca 0.18 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 2r6s h ASP 264 Cb 0.25 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2r6s h ASP 264 CO -0.31 0.86 -0.07 0.00 -1.72 0.00 0.00 179.24 178.00 2r6s h ALA 265 N 1.26 1.26 0.03 3.45 0.00 -0.58 -1.79 119.26 122.89 2r6s h ALA 265 Ca 0.22 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2r6s h ALA 265 Cb 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2r6s h ALA 265 CO -0.01 0.49 -0.02 0.82 0.00 0.00 0.00 179.25 180.53 2r6s h ILE 266 N 0.52 1.36 -0.05 0.00 2.04 -0.81 -3.30 117.51 117.26 2r6s h ILE 266 Ca 0.10 -1.35 -0.06 0.00 1.00 0.00 0.00 64.86 64.55 2r6s h ILE 266 Cb 0.44 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 2r6s h ILE 266 CO 0.02 0.34 -0.24 -0.33 0.00 0.00 0.00 178.15 177.94 2r6s h GLU 267 N -0.65 0.09 -0.63 2.37 4.39 -1.06 -2.29 114.58 116.80 2r6s h GLU 267 Ca -0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2r6s h GLU 267 Cb 0.59 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2r6s h GLU 267 CO 0.01 0.33 0.00 0.25 -1.16 0.00 0.00 179.01 178.44 2r6s n THR 268 N -4.22 1.45 -2.08 1.13 -2.24 -0.68 -4.98 114.28 102.65 2r6s n THR 268 Ca -0.02 -0.95 -0.41 0.00 -2.27 0.00 0.00 64.05 60.40 2r6s n THR 268 Cb 0.32 0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.61 2r6s n THR 268 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2r6s s SER 269 N -0.83 6.73 0.01 3.42 0.15 -0.86 -4.91 113.70 117.39 2r6s s SER 269 Ca 0.42 2.73 0.27 0.00 0.70 0.00 0.00 55.95 60.07 2r6s s SER 269 Cb 0.27 -2.65 1.16 0.00 -1.71 0.00 0.00 66.02 63.09 2r6s s SER 269 CO 0.21 -0.57 1.88 0.29 1.20 0.00 0.00 173.24 176.24 2r6s n LYS 270 N 0.80 0.01 0.00 5.44 5.02 -1.26 -3.39 118.16 124.78 2r6s n LYS 270 Ca 0.00 0.03 0.14 0.00 -2.02 0.00 0.00 58.31 56.46 2r6s n LYS 270 Cb 0.41 -1.51 0.54 0.00 -0.02 0.00 0.00 35.03 34.45 2r6s n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2r6s n GLY 271 N 1.33 -0.49 3.74 0.72 0.00 -1.25 -4.93 105.19 104.32 2r6s n GLY 271 Ca 0.07 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 2r6s n GLY 271 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r6s s ILE 272 N -2.26 2.50 -0.00 -0.61 1.01 -1.22 -4.67 121.20 115.96 2r6s s ILE 272 Ca 0.33 0.42 -0.07 0.00 0.00 0.00 0.00 60.65 61.32 2r6s s ILE 272 Cb 0.20 -3.27 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 2r6s s ILE 272 CO 0.43 0.06 0.27 -0.76 0.00 0.00 0.00 174.94 174.94 2r6s s LEU 273 N -0.31 4.38 -0.23 2.97 1.43 0.19 -4.94 118.68 122.17 2r6s s LEU 273 Ca 0.61 0.59 0.01 0.00 -1.03 0.00 0.00 54.13 54.31 2r6s s LEU 273 Cb -0.44 -2.62 0.04 0.00 0.03 0.00 0.00 46.19 43.21 2r6s s LEU 273 CO 0.44 0.27 -0.13 -0.55 0.23 0.00 0.00 176.35 176.61 2r6s s SER 274 N -1.60 4.00 -0.20 2.29 0.15 -1.26 -1.44 113.70 115.64 2r6s s SER 274 Ca 0.26 -1.05 0.01 0.00 0.70 0.00 0.00 55.95 55.88 2r6s s SER 274 Cb -0.13 -1.55 0.04 0.00 -1.71 0.00 0.00 66.02 62.66 2r6s s SER 274 CO 0.15 -0.12 -0.14 -0.69 1.20 0.00 0.00 173.24 173.64 2r6s s VAL 275 N 1.21 1.88 0.21 4.45 1.01 0.81 -4.96 120.40 125.01 2r6s s VAL 275 Ca -0.02 -1.09 -0.30 0.00 0.00 0.00 0.00 61.98 60.56 2r6s s VAL 275 Cb -0.17 -1.86 -0.09 0.00 0.00 0.00 0.00 36.38 34.26 2r6s s VAL 275 CO -0.07 0.27 1.24 -2.84 0.00 0.00 0.00 175.10 173.70 2r6s s PRO 276 N 1.31 4.45 -0.46 2.72 0.02 -1.26 -1.14 135.00 140.63 2r6s s PRO 276 Ca -0.00 1.97 0.03 0.00 0.02 0.00 0.00 61.00 63.01 2r6s s PRO 276 Cb -0.16 -3.20 0.12 0.00 0.02 0.00 0.00 34.50 31.28 2r6s s PRO 276 CO -0.09 -0.14 0.20 0.08 -0.33 0.00 0.00 177.00 176.72 2r6s s VAL 277 N -0.15 2.62 0.76 3.83 1.01 -1.26 -4.98 120.40 122.23 2r6s s VAL 277 Ca 0.53 -2.87 -0.12 0.00 0.00 0.00 0.00 61.98 59.53 2r6s s VAL 277 Cb -0.35 -2.84 0.05 0.00 0.00 0.00 0.00 36.38 33.24 2r6s s VAL 277 CO 0.39 -0.73 1.10 -2.84 0.00 0.00 0.00 175.10 173.02 2r6s s PRO 278 N 0.24 2.25 0.23 2.72 0.02 -1.26 -4.74 135.00 134.45 2r6s s PRO 278 Ca 0.14 1.27 -0.32 0.00 0.02 0.00 0.00 61.00 62.11 2r6s s PRO 278 Cb -0.23 -1.89 -0.13 0.00 0.02 0.00 0.00 34.50 32.27 2r6s s PRO 278 CO -0.03 -1.66 1.56 0.28 -0.33 0.00 0.00 177.00 176.81 2r6s n VAL 279 N -3.33 0.55 0.00 3.83 0.31 -1.26 -1.24 118.33 117.18 2r6s n VAL 279 Ca 0.10 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2r6s n VAL 279 Cb 0.53 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 2r6s n VAL 279 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2r6s n GLY 280 N 2.81 0.79 3.79 2.92 0.00 -0.42 -4.61 105.19 110.46 2r6s n GLY 280 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 2r6s n GLY 280 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r6s s LYS 281 N -0.76 2.91 0.00 1.61 1.02 -0.37 -4.48 119.74 119.67 2r6s s LYS 281 Ca 0.00 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.19 2r6s s LYS 281 Cb 0.00 -2.68 -0.00 0.00 -0.52 0.00 0.00 37.83 34.63 2r6s s LYS 281 CO 0.00 0.51 -0.00 -0.59 -0.92 0.00 0.00 175.35 174.35 2r6s s PHE 282 N -1.63 0.04 0.10 3.18 -0.12 -0.37 -1.57 117.98 117.61 2r6s s PHE 282 Ca 0.30 -0.07 -0.27 0.00 -0.05 0.00 0.00 56.93 56.85 2r6s s PHE 282 Cb -0.11 -0.03 -0.06 0.00 -0.63 0.00 0.00 43.02 42.19 2r6s s PHE 282 CO 0.23 -0.02 0.83 -0.51 -0.05 0.00 0.00 175.22 175.70 2r6s s LEU 283 N -0.18 4.50 -0.18 -1.99 1.43 -0.13 -0.96 118.68 121.16 2r6s s LEU 283 Ca -0.02 1.61 -0.01 0.00 -1.03 0.00 0.00 54.13 54.68 2r6s s LEU 283 Cb -0.01 -3.36 0.05 0.00 0.03 0.00 0.00 46.19 42.90 2r6s s LEU 283 CO -0.00 0.04 -0.00 -0.22 0.23 0.00 0.00 176.35 176.39 2r6s s LEU 284 N -0.32 1.49 0.07 1.79 2.96 0.11 -1.54 118.68 123.24 2r6s s LEU 284 Ca 0.40 -0.79 0.06 0.00 -0.22 0.00 0.00 54.13 53.59 2r6s s LEU 284 Cb -0.22 -0.77 -0.03 0.00 0.50 0.00 0.00 46.19 45.67 2r6s s LEU 284 CO 0.26 -0.26 -0.16 0.27 -1.32 0.00 0.00 176.35 175.14 2r6s s ILE 285 N 1.73 1.32 -0.46 6.68 -4.36 -0.46 -0.60 121.20 125.05 2r6s s ILE 285 Ca -0.01 -1.30 -0.28 0.00 -0.26 0.00 0.00 60.65 58.80 2r6s s ILE 285 Cb -0.17 -1.22 -0.00 0.00 1.25 0.00 0.00 42.46 42.32 2r6s s ILE 285 CO -0.07 -0.10 1.61 0.21 0.24 0.00 0.00 174.94 176.83 2r6s s ASN 286 N -1.62 5.96 0.00 4.36 3.84 -0.14 -1.89 114.94 125.46 2r6s s ASN 286 Ca 0.02 0.76 0.18 0.00 0.21 0.00 0.00 52.86 54.03 2r6s s ASN 286 Cb -0.09 -2.54 1.06 0.00 -0.55 0.00 0.00 41.25 39.13 2r6s s ASN 286 CO 0.03 -1.75 1.51 -3.20 -2.79 0.00 0.00 177.10 170.89 2r6s n ASN 287 N 10.16 0.00 0.06 -4.21 5.15 -0.10 -1.88 115.26 124.43 2r6s n ASN 287 Ca 0.18 -0.45 -0.23 0.00 -0.60 0.00 0.00 54.58 53.49 2r6s n ASN 287 Cb 0.49 -0.06 -0.15 0.00 -0.53 0.00 0.00 39.78 39.53 2r6s n ASN 287 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2r6s h LEU 288 N 0.00 0.57 -2.50 1.20 -0.00 -1.82 -3.42 115.31 109.34 2r6s h LEU 288 Ca 0.00 -0.94 0.00 0.00 -0.00 0.00 0.00 57.88 56.94 2r6s h LEU 288 Cb 0.04 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.51 2r6s h LEU 288 CO 0.00 1.81 0.00 2.22 -0.00 0.00 0.00 178.44 182.47 2r6s n PHE 289 N -3.56 0.00 -4.93 1.13 1.16 -1.21 -1.40 117.46 108.64 2r6s n PHE 289 Ca -0.27 -0.38 -0.33 0.00 -1.87 0.00 0.00 57.45 54.61 2r6s n PHE 289 Cb 1.07 -0.04 -0.14 0.00 -1.61 0.00 0.00 39.48 38.76 2r6s n PHE 289 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 2r6s s TRP 290 N -0.76 2.67 0.12 2.97 0.52 -0.79 -0.68 118.94 123.00 2r6s s TRP 290 Ca 0.00 -0.32 0.02 0.00 0.02 0.00 0.00 56.10 55.82 2r6s s TRP 290 Cb 0.00 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.63 2r6s s TRP 290 CO 0.00 0.06 0.23 -0.51 0.02 0.00 0.00 176.95 176.75 2r6s s LEU 291 N -0.47 4.25 0.15 2.99 1.02 0.19 -4.52 118.68 122.29 2r6s s LEU 291 Ca 0.06 0.16 0.02 0.00 0.02 0.00 0.00 54.13 54.39 2r6s s LEU 291 Cb -0.12 -2.84 -0.04 0.00 0.02 0.00 0.00 46.19 43.20 2r6s s LEU 291 CO 0.02 0.10 -0.03 -1.38 0.02 0.00 0.00 176.35 175.08 2r6s s HIS 292 N -1.65 1.12 0.00 0.29 -3.43 -0.27 -1.13 115.29 110.22 2r6s s HIS 292 Ca 0.34 -0.96 0.00 0.00 -0.80 0.00 0.00 55.06 53.63 2r6s s HIS 292 Cb -0.12 -0.63 0.00 0.00 -1.43 0.00 0.00 32.58 30.40 2r6s s HIS 292 CO 0.27 -0.17 0.00 0.41 -2.00 0.00 0.00 174.74 173.26 2r6s n GLY 293 N -0.18 1.34 2.95 -1.38 0.00 -0.49 -0.96 105.19 106.47 2r6s n GLY 293 Ca -0.08 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 2r6s n GLY 293 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2r6s s ARG 294 N -1.97 0.09 0.71 1.61 3.52 -0.63 -1.36 118.95 120.93 2r6s s ARG 294 Ca 0.00 0.17 -0.11 0.00 -0.13 0.00 0.00 55.73 55.66 2r6s s ARG 294 Cb 0.00 -0.01 0.02 0.00 -1.56 0.00 0.00 34.95 33.40 2r6s s ARG 294 CO 0.00 -0.05 1.08 0.34 -0.81 0.00 0.00 175.30 175.86 2r6s s ASP 295 N 0.32 5.32 0.87 -2.12 -1.08 -0.05 -0.68 116.67 119.25 2r6s s ASP 295 Ca -0.02 1.33 -0.11 0.00 -0.52 0.00 0.00 52.55 53.23 2r6s s ASP 295 Cb -0.03 -2.18 0.12 0.00 -1.46 0.00 0.00 42.92 39.36 2r6s s ASP 295 CO -0.01 -1.44 1.10 0.00 0.52 0.00 0.00 175.17 175.34 2r6s s ARG 296 N -5.21 1.44 0.10 4.34 1.70 -1.26 -3.84 118.95 116.22 2r6s s ARG 296 Ca 0.58 1.18 -0.05 0.00 -0.47 0.00 0.00 55.73 56.97 2r6s s ARG 296 Cb -0.13 -1.80 -0.02 0.00 -0.57 0.00 0.00 34.95 32.43 2r6s s ARG 296 CO 0.54 -2.22 0.11 -0.59 -1.08 0.00 0.00 175.30 172.05 2r6s s PHE 297 N -2.81 0.47 -0.15 5.89 -0.12 -0.66 -0.46 117.98 120.14 2r6s s PHE 297 Ca 0.64 -0.91 -0.26 0.00 -0.05 0.00 0.00 56.93 56.34 2r6s s PHE 297 Cb -0.19 -0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 41.92 2r6s s PHE 297 CO 0.57 -0.52 0.86 0.99 -0.05 0.00 0.00 175.22 177.07 2r6s s THR 298 N -3.94 4.87 0.36 -4.49 2.01 -0.58 -3.87 115.64 110.01 2r6s s THR 298 Ca 0.12 1.70 -0.27 0.00 0.31 0.00 0.00 61.69 63.55 2r6s s THR 298 Cb 0.06 -4.16 -0.09 0.00 0.01 0.00 0.00 72.50 68.31 2r6s s THR 298 CO -0.06 0.04 1.27 -2.16 -0.69 0.00 0.00 174.62 173.02 2r6s s PRO 299 N 2.03 4.19 -0.12 4.92 0.04 -1.26 -4.51 135.00 140.30 2r6s s PRO 299 Ca 0.40 2.11 -0.10 0.00 0.04 0.00 0.00 61.00 63.45 2r6s s PRO 299 Cb -0.17 -2.91 0.03 0.00 0.04 0.00 0.00 34.50 31.49 2r6s s PRO 299 CO 0.14 -0.29 0.31 -1.58 0.04 0.00 0.00 177.00 175.61 2r6s s HIS 300 N -1.22 -0.35 0.48 0.56 2.46 -1.26 -5.05 115.29 110.90 2r6s s HIS 300 Ca 0.53 0.84 0.25 0.00 0.47 0.00 0.00 55.06 57.14 2r6s s HIS 300 Cb -0.37 0.12 1.29 0.00 -0.13 0.00 0.00 32.58 33.48 2r6s s HIS 300 CO 0.49 -0.17 1.86 -1.35 -2.47 0.00 0.00 174.74 173.10 2r6s h PRO 301 N 5.83 0.20 -0.41 2.88 0.11 -1.96 -1.56 132.00 137.09 2r6s h PRO 301 Ca -0.28 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.75 2r6s h PRO 301 Cb 1.19 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 2r6s h PRO 301 CO 0.32 0.13 0.05 -0.25 -0.21 0.00 0.00 178.00 178.03 2r6s n ASP 302 N -4.40 4.14 -4.74 -2.05 8.00 -1.26 -4.66 116.55 111.57 2r6s n ASP 302 Ca 0.20 -3.16 -0.41 0.00 0.71 0.00 0.00 54.79 52.12 2r6s n ASP 302 Cb 0.85 -0.62 -0.02 0.00 -0.02 0.00 0.00 41.12 41.31 2r6s n ASP 302 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2r6s s LEU 303 N -2.92 4.37 -0.15 0.64 0.20 -0.59 -4.51 118.68 115.73 2r6s s LEU 303 Ca 0.47 2.75 -0.05 0.00 0.69 0.00 0.00 54.13 57.99 2r6s s LEU 303 Cb 0.38 -3.62 0.08 0.00 -0.43 0.00 0.00 46.19 42.60 2r6s s LEU 303 CO 0.09 -0.79 0.28 -0.60 -0.29 0.00 0.00 176.35 175.05 2r6s s ARG 304 N -0.17 0.19 -0.09 1.98 3.52 -0.73 -4.24 118.95 119.40 2r6s s ARG 304 Ca 0.62 0.70 0.03 0.00 -0.13 0.00 0.00 55.73 56.96 2r6s s ARG 304 Cb -0.44 -0.16 0.01 0.00 -1.56 0.00 0.00 34.95 32.80 2r6s s ARG 304 CO 0.43 -0.35 -0.19 0.50 -0.81 0.00 0.00 175.30 174.88 2r6s s ARG 305 N 2.44 2.49 -0.07 5.12 3.52 -0.21 -0.43 118.95 131.81 2r6s s ARG 305 Ca 0.02 -0.68 0.05 0.00 -0.13 0.00 0.00 55.73 54.99 2r6s s ARG 305 Cb -0.13 -1.95 -0.00 0.00 -1.56 0.00 0.00 34.95 31.31 2r6s s ARG 305 CO -0.10 0.09 -0.23 -2.00 -0.81 0.00 0.00 175.30 172.26 2r6s s GLU 306 N 0.54 2.62 0.27 5.12 2.12 -0.33 0.20 118.70 129.24 2r6s s GLU 306 Ca -0.16 -0.83 0.09 0.00 0.36 0.00 0.00 54.97 54.43 2r6s s GLU 306 Cb -0.17 -2.10 -0.05 0.00 0.26 0.00 0.00 34.13 32.07 2r6s s GLU 306 CO 0.06 0.26 -0.13 -0.51 -0.54 0.00 0.00 175.26 174.40 2r6s s LEU 307 N 0.13 2.58 -0.01 2.70 1.43 -0.49 0.68 118.68 125.69 2r6s s LEU 307 Ca -0.11 -1.11 0.01 0.00 -1.03 0.00 0.00 54.13 51.90 2r6s s LEU 307 Cb -0.15 -0.84 0.01 0.00 0.03 0.00 0.00 46.19 45.23 2r6s s LEU 307 CO 0.06 -0.17 -0.03 -0.32 0.23 0.00 0.00 176.35 176.12 2r6s s MET 308 N -3.63 0.31 0.10 1.70 -2.45 -0.56 -1.42 119.30 113.36 2r6s s MET 308 Ca 0.28 -0.07 0.08 0.00 -1.25 0.00 0.00 55.69 54.73 2r6s s MET 308 Cb 0.00 -0.35 -0.03 0.00 1.25 0.00 0.00 34.83 35.69 2r6s s MET 308 CO 0.12 0.02 -0.20 -0.98 1.05 0.00 0.00 175.02 175.02 2r6s s ARG 309 N 0.24 1.12 0.02 4.11 1.70 0.26 -0.44 118.95 125.96 2r6s s ARG 309 Ca -0.02 -1.16 0.02 0.00 -0.47 0.00 0.00 55.73 54.09 2r6s s ARG 309 Cb -0.05 -1.36 -0.02 0.00 -0.57 0.00 0.00 34.95 32.95 2r6s s ARG 309 CO -0.01 0.31 -0.06 -0.65 -1.08 0.00 0.00 175.30 173.82 2r6s s GLN 310 N -1.94 0.43 -0.00 3.89 -0.21 -0.69 -1.84 119.66 119.31 2r6s s GLN 310 Ca 0.06 -0.55 0.01 0.00 0.02 0.00 0.00 55.36 54.91 2r6s s GLN 310 Cb -0.10 -0.24 -0.00 0.00 1.00 0.00 0.00 33.01 33.67 2r6s s GLN 310 CO 0.04 0.05 -0.04 1.03 -2.12 0.00 0.00 175.29 174.25 2r6s s ARG 311 N -1.10 0.32 0.04 2.91 3.00 -1.26 -0.57 118.95 122.29 2r6s s ARG 311 Ca -0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 55.73 55.46 2r6s s ARG 311 Cb -0.07 -0.29 0.01 0.00 0.00 0.00 0.00 34.95 34.60 2r6s s ARG 311 CO 0.00 0.08 0.11 0.41 0.00 0.00 0.00 175.30 175.90 2r6s n GLY 312 N 2.88 1.64 3.54 -3.53 0.00 -0.98 0.17 105.19 108.91 2r6s n GLY 312 Ca -0.13 -1.01 -0.27 0.00 0.00 0.00 0.00 46.02 44.61 2r6s n GLY 312 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2r6s s TYR 313 N -7.24 2.56 0.33 1.61 -0.85 -0.81 -0.44 117.35 112.52 2r6s s TYR 313 Ca 0.02 -0.25 -0.26 0.00 -0.52 0.00 0.00 57.07 56.06 2r6s s TYR 313 Cb -0.01 -1.25 -0.09 0.00 0.38 0.00 0.00 41.96 40.99 2r6s s TYR 313 CO 0.01 0.51 1.00 -0.06 -1.52 0.00 0.00 175.55 175.50 2r6s s PHE 314 N -1.71 3.56 -0.23 -3.49 0.08 -1.26 -1.69 117.98 113.24 2r6s s PHE 314 Ca 0.24 1.74 -0.04 0.00 0.12 0.00 0.00 56.93 58.98 2r6s s PHE 314 Cb -0.09 -3.06 0.12 0.00 -0.57 0.00 0.00 43.02 39.43 2r6s s PHE 314 CO 0.14 -0.17 0.43 0.00 -0.10 0.00 0.00 175.22 175.52 2r6s s ALA 315 N -1.51 -1.28 0.08 5.36 0.00 -0.75 -4.91 121.76 118.76 2r6s s ALA 315 Ca 0.51 1.29 -0.18 0.00 0.00 0.00 0.00 51.96 53.58 2r6s s ALA 315 Cb -0.23 -1.60 0.04 0.00 0.00 0.00 0.00 23.12 21.34 2r6s s ALA 315 CO 0.29 -1.06 0.44 1.52 0.00 0.00 0.00 175.76 176.94 2r6s s TYR 316 N 2.62 -0.28 0.09 0.00 1.13 -1.26 -3.99 117.35 115.66 2r6s s TYR 316 Ca 0.07 0.14 -0.24 0.00 -1.41 0.00 0.00 57.07 55.63 2r6s s TYR 316 Cb -0.14 0.27 -0.07 0.00 -1.10 0.00 0.00 41.96 40.93 2r6s s TYR 316 CO -0.15 -0.65 0.72 0.00 -2.51 0.00 0.00 175.55 172.96 2r6s s ALA 317 N -3.07 3.45 0.08 9.51 0.00 -1.26 -5.08 121.76 125.40 2r6s s ALA 317 Ca -0.02 0.24 -0.07 0.00 0.00 0.00 0.00 51.96 52.12 2r6s s ALA 317 Cb 0.00 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.22 2r6s s ALA 317 CO -0.07 0.22 0.14 0.95 0.00 0.00 0.00 175.76 177.01 2r6s s THR 318 N -0.68 0.16 -0.56 0.00 -4.23 -1.26 -5.11 115.64 103.96 2r6s s THR 318 Ca 0.35 -1.33 -0.28 0.00 -1.18 0.00 0.00 61.69 59.25 2r6s s THR 318 Cb -0.21 -1.39 0.02 0.00 1.34 0.00 0.00 72.50 72.27 2r6s s THR 318 CO 0.23 -0.73 1.26 -2.28 -0.54 0.00 0.00 174.62 172.57 2r6s s HIS 319 N -3.88 2.51 0.30 3.99 2.46 -1.26 -4.96 115.29 114.45 2r6s s HIS 319 Ca 0.06 0.45 -0.08 0.00 0.47 0.00 0.00 55.06 55.96 2r6s s HIS 319 Cb 0.06 -4.47 0.00 0.00 -0.13 0.00 0.00 32.58 28.03 2r6s s HIS 319 CO -0.11 -1.71 0.48 -3.38 -2.47 0.00 0.00 174.74 167.56 2r6s s HIS 320 N 5.27 0.72 0.41 3.88 -0.00 -1.26 -5.17 115.29 119.14 2r6s s HIS 320 Ca 0.47 -1.03 -0.21 0.00 -0.00 0.00 0.00 55.06 54.28 2r6s s HIS 320 Cb -0.09 0.07 -0.11 0.00 -0.00 0.00 0.00 32.58 32.46 2r6s s HIS 320 CO 0.26 -1.09 0.92 0.71 -0.00 0.00 0.00 174.74 175.54 2r6s s TYR 321 N -3.44 3.35 0.10 0.38 1.51 -1.26 -5.07 117.35 112.91 2r6s s TYR 321 Ca 0.27 1.58 -0.07 0.00 -1.01 0.00 0.00 57.07 57.84 2r6s s TYR 321 Cb -0.00 -2.82 -0.01 0.00 -0.11 0.00 0.00 41.96 39.02 2r6s s TYR 321 CO 0.15 -0.06 0.15 1.14 -1.11 0.00 0.00 175.55 175.82 2r6s s GLN 322 N -3.06 0.85 0.29 -0.62 -2.07 -1.26 -5.18 119.66 108.60 2r6s s GLN 322 Ca 0.60 -1.08 0.09 0.00 -1.82 0.00 0.00 55.36 53.15 2r6s s GLN 322 Cb -0.10 0.31 -0.04 0.00 -1.09 0.00 0.00 33.01 32.09 2r6s s GLN 322 CO 0.14 -0.26 0.08 0.95 -1.32 0.00 0.00 175.29 174.88 2r6s s THR 323 N -3.90 3.48 0.00 3.63 -4.23 -1.26 -5.07 115.64 108.30 2r6s s THR 323 Ca 0.09 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.84 2r6s s THR 323 Cb 0.05 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.91 2r6s s THR 323 CO -0.08 -0.31 0.00 1.41 -0.54 0.00 0.00 174.62 175.10 2r6s n HIS 324 N -1.02 -1.65 -0.28 3.99 8.25 -1.26 -5.34 115.22 117.90 2r6s n HIS 324 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2r6s n HIS 324 Cb 0.59 0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.94 2r6s n HIS 324 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98