#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mrd s GLN 3 N 0.00 1.00 -0.30 5.55 0.74 0.27 -4.96 119.66 121.96 1mrd s GLN 3 Ca 0.00 -0.39 0.03 0.00 0.05 0.00 0.00 55.36 55.04 1mrd s GLN 3 Cb 0.00 -0.95 0.09 0.00 1.10 0.00 0.00 33.01 33.25 1mrd s GLN 3 CO 0.00 0.21 0.01 -0.51 -0.55 0.00 0.00 175.29 174.45 1mrd s LEU 4 N -0.12 3.75 -0.16 3.68 1.43 -1.26 -1.00 118.68 125.00 1mrd s LEU 4 Ca 0.02 -1.76 -0.08 0.00 -1.03 0.00 0.00 54.13 51.27 1mrd s LEU 4 Cb -0.06 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 1mrd s LEU 4 CO -0.00 -0.32 0.13 -1.10 0.23 0.00 0.00 176.35 175.29 1mrd s GLN 5 N 1.13 3.78 0.46 1.70 -0.21 -1.09 -3.77 119.66 121.67 1mrd s GLN 5 Ca 0.04 -0.18 0.03 0.00 0.02 0.00 0.00 55.36 55.27 1mrd s GLN 5 Cb -0.19 -3.29 -0.03 0.00 1.00 0.00 0.00 33.01 30.51 1mrd s GLN 5 CO -0.10 0.56 0.04 -0.65 -2.12 0.00 0.00 175.29 173.02 1mrd s GLN 6 N -0.38 2.07 0.29 2.91 -0.21 -1.26 -1.82 119.66 121.25 1mrd s GLN 6 Ca 0.12 -2.28 -0.28 0.00 0.02 0.00 0.00 55.36 52.94 1mrd s GLN 6 Cb -0.12 -1.29 -0.09 0.00 1.00 0.00 0.00 33.01 32.51 1mrd s GLN 6 CO 0.01 -0.34 0.95 -1.12 -2.12 0.00 0.00 175.29 172.68 1mrd s SER 7 N -3.77 7.46 0.07 5.90 0.01 -1.26 -4.94 113.70 117.18 1mrd s SER 7 Ca 0.16 1.91 -0.19 0.00 1.31 0.00 0.00 55.95 59.13 1mrd s SER 7 Cb 0.03 -2.59 -0.10 0.00 0.21 0.00 0.00 66.02 63.57 1mrd s SER 7 CO 0.09 0.02 1.49 1.23 0.41 0.00 0.00 173.24 176.47 1mrd h GLY 8 N 3.61 0.42 -2.56 3.44 0.00 -1.96 -3.32 103.07 102.71 1mrd h GLY 8 Ca -0.46 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 46.48 1mrd h GLY 8 CO 0.66 0.30 -0.15 0.00 0.00 0.00 0.00 176.54 177.36 1mrd s ALA 9 N -4.88 -0.38 -0.22 3.60 0.00 -1.26 -0.84 121.76 117.78 1mrd s ALA 9 Ca -0.14 -0.66 -0.16 0.00 0.00 0.00 0.00 51.96 51.00 1mrd s ALA 9 Cb 0.07 0.91 0.06 0.00 0.00 0.00 0.00 23.12 24.16 1mrd s ALA 9 CO 0.74 -0.76 0.56 -1.21 0.00 0.00 0.00 175.76 175.09 1mrd s GLU 10 N -3.95 0.60 -0.12 0.00 0.41 0.59 -4.86 118.70 111.38 1mrd s GLU 10 Ca 0.16 0.90 0.01 0.00 -0.41 0.00 0.00 54.97 55.63 1mrd s GLU 10 Cb 0.01 0.19 -0.01 0.00 -1.78 0.00 0.00 34.13 32.53 1mrd s GLU 10 CO 0.01 -0.12 -0.16 -1.17 -0.49 0.00 0.00 175.26 173.33 1mrd s LEU 11 N 0.92 2.53 0.00 1.80 0.20 -1.26 -0.65 118.68 122.22 1mrd s LEU 11 Ca -0.05 -0.39 -0.06 0.00 0.69 0.00 0.00 54.13 54.31 1mrd s LEU 11 Cb -0.05 -1.55 -0.00 0.00 -0.43 0.00 0.00 46.19 44.16 1mrd s LEU 11 CO -0.08 0.17 0.12 0.68 -0.29 0.00 0.00 176.35 176.95 1mrd s VAL 12 N 0.31 0.08 0.34 1.68 -7.23 -0.22 -4.97 120.40 110.39 1mrd s VAL 12 Ca -0.13 -0.68 -0.18 0.00 -1.81 0.00 0.00 61.98 59.18 1mrd s VAL 12 Cb -0.16 -0.40 -0.10 0.00 0.56 0.00 0.00 36.38 36.28 1mrd s VAL 12 CO 0.06 -0.37 0.81 -1.59 -0.31 0.00 0.00 175.10 173.70 1mrd s LYS 13 N -1.32 4.14 0.78 4.82 0.00 -1.25 -0.36 119.74 126.56 1mrd s LYS 13 Ca -0.14 0.88 -0.15 0.00 0.00 0.00 0.00 55.97 56.56 1mrd s LYS 13 Cb -0.08 -2.44 0.01 0.00 0.00 0.00 0.00 37.83 35.32 1mrd s LYS 13 CO 0.01 0.14 0.72 -2.30 0.00 0.00 0.00 175.35 173.93 1mrd n PRO 14 N -0.23 0.21 0.00 1.78 -0.02 -1.26 -2.16 135.00 133.32 1mrd n PRO 14 Ca 0.04 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1mrd n PRO 14 Cb 0.53 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1mrd n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mrd n GLY 15 N 1.30 2.85 3.14 -1.23 0.00 -0.51 -4.91 105.19 105.83 1mrd n GLY 15 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 1mrd n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mrd n ALA 16 N 0.05 -0.43 -2.77 4.61 0.00 -0.92 -4.50 120.51 116.55 1mrd n ALA 16 Ca 0.00 -1.51 -0.16 0.00 0.00 0.00 0.00 53.44 51.77 1mrd n ALA 16 Cb 0.00 0.12 -0.12 0.00 0.00 0.00 0.00 19.45 19.45 1mrd n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1mrd s SER 17 N -4.58 1.18 0.02 0.00 1.04 -1.26 -2.27 113.70 107.82 1mrd s SER 17 Ca 0.57 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1mrd s SER 17 Cb -0.02 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.05 1mrd s SER 17 CO 0.39 -0.09 -0.03 0.54 0.98 0.00 0.00 173.24 175.03 1mrd s VAL 18 N -1.09 0.12 -0.23 5.02 0.11 -1.23 -5.00 120.40 118.09 1mrd s VAL 18 Ca -0.04 -0.73 -0.05 0.00 -2.93 0.00 0.00 61.98 58.24 1mrd s VAL 18 Cb -0.09 -0.23 -0.01 0.00 -1.53 0.00 0.00 36.38 34.53 1mrd s VAL 18 CO 0.01 -0.38 -0.01 -0.54 -3.33 0.00 0.00 175.10 170.84 1mrd s LYS 19 N -1.15 3.36 -0.14 1.54 1.02 -1.26 -1.21 119.74 121.89 1mrd s LYS 19 Ca -0.12 -0.65 -0.05 0.00 0.02 0.00 0.00 55.97 55.17 1mrd s LYS 19 Cb -0.08 -3.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.10 1mrd s LYS 19 CO -0.01 -0.24 0.03 -0.51 -0.92 0.00 0.00 175.35 173.71 1mrd s LEU 20 N 1.49 3.69 0.27 3.17 1.43 0.34 -4.95 118.68 124.13 1mrd s LEU 20 Ca 0.05 0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.31 1mrd s LEU 20 Cb -0.15 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1mrd s LEU 20 CO -0.02 0.26 0.38 -0.94 0.23 0.00 0.00 176.35 176.26 1mrd s SER 21 N -0.14 6.11 -0.33 2.29 1.04 -1.26 -1.37 113.70 120.04 1mrd s SER 21 Ca 0.06 -0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.45 1mrd s SER 21 Cb -0.12 -1.60 0.15 0.00 0.10 0.00 0.00 66.02 64.55 1mrd s SER 21 CO 0.02 -0.19 0.34 0.00 0.98 0.00 0.00 173.24 174.39 1mrd s LYS 23 N 1.85 3.43 0.17 0.00 2.20 -0.75 -0.66 119.74 125.97 1mrd s LYS 23 Ca 0.14 -0.06 -0.28 0.00 -0.36 0.00 0.00 55.97 55.40 1mrd s LYS 23 Cb -0.15 -3.98 -0.08 0.00 -1.51 0.00 0.00 37.83 32.12 1mrd s LYS 23 CO -0.17 -1.30 0.89 0.00 -0.36 0.00 0.00 175.35 174.41 1mrd s ALA 24 N 3.73 3.35 0.07 3.13 0.00 -0.69 -2.66 121.76 128.69 1mrd s ALA 24 Ca 0.33 0.51 -0.10 0.00 0.00 0.00 0.00 51.96 52.71 1mrd s ALA 24 Cb -0.11 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.87 1mrd s ALA 24 CO 0.23 0.16 0.21 0.45 0.00 0.00 0.00 175.76 176.81 1mrd s SER 25 N -0.79 0.06 0.00 0.00 0.15 -0.17 -4.63 113.70 108.31 1mrd s SER 25 Ca 0.41 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1mrd s SER 25 Cb -0.24 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1mrd s SER 25 CO 0.29 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1mrd n GLY 26 N 0.22 0.63 3.14 9.45 0.00 -1.26 -0.57 105.19 116.80 1mrd n GLY 26 Ca -0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 1mrd n GLY 26 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1mrd n TYR 27 N -2.70 -1.00 -2.81 1.61 4.11 -1.26 -4.20 117.16 110.91 1mrd n TYR 27 Ca 0.00 -0.92 -0.43 0.00 -0.00 0.00 0.00 57.90 56.55 1mrd n TYR 27 Cb 0.00 0.44 -0.03 0.00 -0.00 0.00 0.00 39.34 39.75 1mrd n TYR 27 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 1mrd s THR 28 N -2.13 4.35 0.25 -3.48 -1.32 -1.26 -4.90 115.64 107.15 1mrd s THR 28 Ca 0.20 -0.80 -0.11 0.00 -1.21 0.00 0.00 61.69 59.77 1mrd s THR 28 Cb -0.02 -4.80 0.35 0.00 -1.51 0.00 0.00 72.50 66.52 1mrd s THR 28 CO 0.03 -1.59 1.58 0.15 -2.21 0.00 0.00 174.62 172.58 1mrd h PHE 29 N 9.38 -0.58 0.00 9.09 3.57 -1.94 0.45 116.94 136.90 1mrd h PHE 29 Ca -0.05 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1mrd h PHE 29 Cb 1.04 0.39 0.00 0.00 2.79 0.00 0.00 35.95 40.18 1mrd h PHE 29 CO 1.10 -0.39 0.00 -2.37 -2.23 0.00 0.00 178.31 174.43 1mrd n THR 30 N -5.55 0.00 0.00 4.41 5.66 -1.26 -3.55 114.28 113.99 1mrd n THR 30 Ca 0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 1mrd n THR 30 Cb 0.44 -0.48 0.00 0.00 -1.55 0.00 0.00 70.33 68.73 1mrd n THR 30 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1mrd n SER 31 N -0.43 0.00 -4.77 1.09 7.64 0.15 -4.26 113.62 113.04 1mrd n SER 31 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.48 1mrd n SER 31 Cb 0.00 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 1mrd n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1mrd s TYR 32 N -0.47 3.23 0.18 1.43 2.02 -1.23 -4.89 117.35 117.62 1mrd s TYR 32 Ca 0.00 1.55 -0.30 0.00 -0.37 0.00 0.00 57.07 57.95 1mrd s TYR 32 Cb 0.00 -3.47 -0.08 0.00 -0.40 0.00 0.00 41.96 38.01 1mrd s TYR 32 CO 0.00 -1.28 1.15 -1.58 -1.57 0.00 0.00 175.55 172.27 1mrd s TRP 33 N -1.22 3.51 -0.23 2.71 0.52 -1.26 -4.59 118.94 118.37 1mrd s TRP 33 Ca 0.49 1.51 -0.24 0.00 0.02 0.00 0.00 56.10 57.89 1mrd s TRP 33 Cb -0.35 -3.36 -0.01 0.00 -1.15 0.00 0.00 33.47 28.61 1mrd s TRP 33 CO 0.45 -0.91 0.80 1.41 0.02 0.00 0.00 176.95 178.72 1mrd s MET 34 N -0.33 4.20 0.29 4.98 1.75 -0.55 -4.51 119.30 125.14 1mrd s MET 34 Ca 0.51 0.89 0.07 0.00 -1.25 0.00 0.00 55.69 55.91 1mrd s MET 34 Cb -0.31 -3.63 -0.02 0.00 2.84 0.00 0.00 34.83 33.71 1mrd s MET 34 CO 0.36 -0.46 0.33 -0.65 -0.65 0.00 0.00 175.02 173.96 1mrd s GLN 35 N 2.63 3.04 -0.02 4.11 -1.52 0.11 -1.56 119.66 126.44 1mrd s GLN 35 Ca 0.34 -1.04 0.01 0.00 -1.95 0.00 0.00 55.36 52.71 1mrd s GLN 35 Cb -0.16 -2.68 0.02 0.00 -0.22 0.00 0.00 33.01 29.97 1mrd s GLN 35 CO 0.08 0.23 -0.01 -1.58 -0.25 0.00 0.00 175.29 173.77 1mrd s TRP 36 N -2.16 0.28 0.12 0.91 0.52 -0.68 -0.78 118.94 117.15 1mrd s TRP 36 Ca 0.39 -0.01 0.06 0.00 0.02 0.00 0.00 56.10 56.56 1mrd s TRP 36 Cb -0.08 -0.33 -0.04 0.00 -1.15 0.00 0.00 33.47 31.87 1mrd s TRP 36 CO 0.28 -0.09 -0.14 0.08 0.02 0.00 0.00 176.95 177.09 1mrd s VAL 37 N 0.72 1.34 -0.02 4.03 1.01 -0.62 -1.84 120.40 125.03 1mrd s VAL 37 Ca -0.07 -1.69 0.06 0.00 0.00 0.00 0.00 61.98 60.28 1mrd s VAL 37 Cb -0.10 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 1mrd s VAL 37 CO -0.01 -0.39 -0.19 -0.75 0.00 0.00 0.00 175.10 173.76 1mrd s LYS 38 N -2.58 1.60 -0.03 2.72 2.20 -0.26 -1.17 119.74 122.22 1mrd s LYS 38 Ca 0.08 -0.69 0.01 0.00 -0.36 0.00 0.00 55.97 55.01 1mrd s LYS 38 Cb -0.05 -1.53 0.02 0.00 -1.51 0.00 0.00 37.83 34.76 1mrd s LYS 38 CO 0.03 0.40 -0.00 -1.14 -0.36 0.00 0.00 175.35 174.28 1mrd s GLN 39 N -0.41 0.32 -0.10 4.03 0.74 -0.16 -1.23 119.66 122.85 1mrd s GLN 39 Ca 0.06 0.05 -0.01 0.00 0.05 0.00 0.00 55.36 55.51 1mrd s GLN 39 Cb -0.08 -0.48 -0.03 0.00 1.10 0.00 0.00 33.01 33.52 1mrd s GLN 39 CO -0.00 -0.11 -0.03 -0.98 -0.55 0.00 0.00 175.29 173.61 1mrd s ARG 40 N 0.92 3.08 0.00 1.67 1.04 -1.25 -0.80 118.95 123.61 1mrd s ARG 40 Ca -0.09 -0.48 0.00 0.00 -1.04 0.00 0.00 55.73 54.11 1mrd s ARG 40 Cb -0.13 -2.76 0.00 0.00 -2.04 0.00 0.00 34.95 30.03 1mrd s ARG 40 CO -0.01 0.57 0.00 -2.30 -0.04 0.00 0.00 175.30 173.52 1mrd n PRO 41 N 2.53 0.00 -2.14 3.89 -0.01 -1.26 -2.38 135.00 135.63 1mrd n PRO 41 Ca -0.18 0.00 -0.30 0.00 -0.01 0.00 0.00 63.50 63.01 1mrd n PRO 41 Cb 0.53 0.00 -0.05 0.00 -0.01 0.00 0.00 33.50 33.97 1mrd n PRO 41 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 175.50 175.69 1mrd s GLY 42 N -2.13 0.38 -0.09 -1.23 0.00 -1.26 -4.84 107.32 98.15 1mrd s GLY 42 Ca 0.00 -1.95 -0.10 0.00 0.00 0.00 0.00 44.72 42.67 1mrd s GLY 42 CO 0.00 3.39 0.32 -1.06 0.00 0.00 0.00 173.10 175.75 1mrd n GLN 43 N 8.58 0.00 0.00 2.90 6.02 -1.00 -4.94 117.38 128.94 1mrd n GLN 43 Ca 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.41 1mrd n GLN 43 Cb 0.47 -0.31 0.00 0.00 1.02 0.00 0.00 30.24 31.42 1mrd n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mrd n GLY 44 N 0.76 0.87 3.77 1.08 0.00 -1.26 -5.02 105.19 105.40 1mrd n GLY 44 Ca 0.06 0.59 -0.36 0.00 0.00 0.00 0.00 46.02 46.31 1mrd n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mrd s LEU 45 N 0.00 4.23 -0.07 0.99 1.02 -1.26 -3.83 118.68 119.76 1mrd s LEU 45 Ca 0.00 0.30 0.03 0.00 0.02 0.00 0.00 54.13 54.47 1mrd s LEU 45 Cb 0.00 -2.07 -0.02 0.00 0.02 0.00 0.00 46.19 44.12 1mrd s LEU 45 CO 0.00 0.26 -0.15 -1.61 0.02 0.00 0.00 176.35 174.87 1mrd s GLU 46 N -0.12 2.77 0.17 1.70 2.02 -0.36 -4.96 118.70 119.91 1mrd s GLU 46 Ca 0.10 -0.71 -0.23 0.00 0.02 0.00 0.00 54.97 54.15 1mrd s GLU 46 Cb -0.11 -2.44 -0.08 0.00 0.10 0.00 0.00 34.13 31.60 1mrd s GLU 46 CO 0.00 0.48 0.73 -0.46 0.02 0.00 0.00 175.26 176.04 1mrd s TRP 47 N -0.37 3.83 -0.06 1.61 -0.00 -1.26 -1.10 118.94 121.59 1mrd s TRP 47 Ca 0.04 1.52 -0.10 0.00 -0.00 0.00 0.00 56.10 57.56 1mrd s TRP 47 Cb -0.12 -2.69 -0.04 0.00 -0.00 0.00 0.00 33.47 30.62 1mrd s TRP 47 CO 0.02 0.48 -0.19 -0.89 -0.00 0.00 0.00 176.95 176.37 1mrd n ILE 48 N 1.40 1.35 -1.43 5.86 5.41 -0.77 -4.73 119.36 126.46 1mrd n ILE 48 Ca -0.06 0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.93 1mrd n ILE 48 Cb 0.50 -1.99 0.00 0.00 -0.71 0.00 0.00 39.64 37.43 1mrd n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1mrd n GLY 49 N 2.35 -1.25 3.13 7.39 0.00 -1.23 -0.14 105.19 115.44 1mrd n GLY 49 Ca -0.09 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 1mrd n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mrd s GLU 50 N -1.16 0.66 -0.05 1.61 -1.05 0.40 -1.69 118.70 117.41 1mrd s GLU 50 Ca 0.00 -0.92 -0.04 0.00 -0.15 0.00 0.00 54.97 53.86 1mrd s GLU 50 Cb 0.00 0.26 0.02 0.00 -0.44 0.00 0.00 34.13 33.97 1mrd s GLU 50 CO 0.00 -0.17 0.14 -1.50 0.95 0.00 0.00 175.26 174.68 1mrd s ILE 51 N -3.25 -0.01 -0.54 1.83 2.07 -0.60 -1.24 121.20 119.45 1mrd s ILE 51 Ca 0.00 0.05 -0.21 0.00 -1.41 0.00 0.00 60.65 59.09 1mrd s ILE 51 Cb 0.03 -0.21 0.06 0.00 0.13 0.00 0.00 42.46 42.47 1mrd s ILE 51 CO -0.08 0.02 0.74 -0.62 -1.91 0.00 0.00 174.94 173.09 1mrd s ASP 52 N 0.36 6.24 0.55 4.50 2.15 0.18 -1.48 116.67 129.17 1mrd s ASP 52 Ca -0.02 -0.87 0.36 0.00 0.43 0.00 0.00 52.55 52.45 1mrd s ASP 52 Cb -0.04 -2.34 1.54 0.00 -0.30 0.00 0.00 42.92 41.79 1mrd s ASP 52 CO -0.01 -1.05 1.80 -0.65 -0.17 0.00 0.00 175.17 175.09 1mrd h PRO 52 N 9.15 0.00 0.00 4.34 0.11 -1.82 0.90 132.00 144.68 1mrd h PRO 52 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1mrd h PRO 52 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1mrd h PRO 52 CO 1.03 0.00 -0.18 -1.13 -0.21 0.00 0.00 178.00 177.52 1mrd n SER 53 N -4.15 0.56 0.01 -2.05 3.41 -1.26 -4.49 113.62 105.64 1mrd n SER 53 Ca 0.25 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1mrd n SER 53 Cb 1.22 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 1mrd n SER 53 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1mrd n ASP 54 N -1.97 0.08 0.00 4.04 8.00 0.29 -5.00 116.55 121.98 1mrd n ASP 54 Ca 0.05 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1mrd n ASP 54 Cb 0.40 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1mrd n ASP 54 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1mrd n SER 55 N -2.94 -0.29 -4.77 -2.24 2.88 0.29 -5.02 113.62 101.52 1mrd n SER 55 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1mrd n SER 55 Cb 0.34 -0.05 -0.02 0.00 -0.75 0.00 0.00 64.21 63.74 1mrd n SER 55 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1mrd s TYR 56 N -2.00 2.91 0.06 0.66 1.51 -1.25 -4.70 117.35 114.54 1mrd s TYR 56 Ca 0.00 1.33 0.02 0.00 -1.01 0.00 0.00 57.07 57.41 1mrd s TYR 56 Cb 0.00 -3.79 -0.03 0.00 -0.11 0.00 0.00 41.96 38.03 1mrd s TYR 56 CO 0.00 -2.23 -0.07 -0.08 -1.11 0.00 0.00 175.55 172.06 1mrd s THR 57 N -1.09 0.61 -0.06 -0.71 -1.32 -1.26 -0.64 115.64 111.17 1mrd s THR 57 Ca 0.50 -1.40 -0.01 0.00 -1.21 0.00 0.00 61.69 59.58 1mrd s THR 57 Cb -0.42 -1.01 0.03 0.00 -1.51 0.00 0.00 72.50 69.59 1mrd s THR 57 CO 0.56 -0.56 0.00 0.20 -2.21 0.00 0.00 174.62 172.61 1mrd s ASN 58 N -2.12 1.26 0.16 8.08 0.01 -0.37 -4.99 114.94 116.97 1mrd s ASN 58 Ca -0.02 -0.06 0.09 0.00 -0.71 0.00 0.00 52.86 52.16 1mrd s ASN 58 Cb -0.04 -0.36 -0.04 0.00 0.41 0.00 0.00 41.25 41.21 1mrd s ASN 58 CO -0.01 -0.17 -0.12 -0.31 -1.51 0.00 0.00 177.10 174.98 1mrd s TYR 59 N 1.72 2.62 0.25 2.20 1.51 -1.26 -0.45 117.35 123.93 1mrd s TYR 59 Ca 0.01 -0.23 -0.25 0.00 -1.01 0.00 0.00 57.07 55.59 1mrd s TYR 59 Cb -0.13 -1.31 -0.09 0.00 -0.11 0.00 0.00 41.96 40.32 1mrd s TYR 59 CO -0.04 0.47 0.85 1.21 -1.11 0.00 0.00 175.55 176.93 1mrd s ASN 60 N -2.59 7.32 0.19 2.29 2.47 0.80 -4.95 114.94 120.46 1mrd s ASN 60 Ca 0.23 1.70 -0.17 0.00 0.42 0.00 0.00 52.86 55.03 1mrd s ASN 60 Cb -0.09 -2.52 0.15 0.00 -1.45 0.00 0.00 41.25 37.33 1mrd s ASN 60 CO 0.14 0.05 1.62 0.06 -3.72 0.00 0.00 177.10 175.25 1mrd h GLN 61 N 3.62 -0.09 -0.04 0.43 3.07 -1.93 -1.63 115.11 118.54 1mrd h GLN 61 Ca -0.47 0.01 0.01 0.00 0.09 0.00 0.00 58.65 58.29 1mrd h GLN 61 Cb 1.20 0.02 -0.00 0.00 0.08 0.00 0.00 27.48 28.77 1mrd h GLN 61 CO 0.66 -0.06 0.15 0.87 0.09 0.00 0.00 178.83 180.54 1mrd h LYS 62 N -0.09 0.00 -0.17 0.06 1.57 -1.94 0.05 116.57 116.05 1mrd h LYS 62 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1mrd h LYS 62 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1mrd h LYS 62 CO -0.56 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 179.51 1mrd n PHE 63 N -3.18 0.57 -0.28 -1.35 3.72 -0.64 -4.80 117.46 111.50 1mrd n PHE 63 Ca -0.02 -0.89 -0.05 0.00 -0.05 0.00 0.00 57.45 56.44 1mrd n PHE 63 Cb 0.22 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 1mrd n PHE 63 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1mrd h LYS 64 N 1.14 -0.11 -0.28 -1.08 6.56 -0.67 -1.65 116.57 120.48 1mrd h LYS 64 Ca 0.00 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1mrd h LYS 64 Cb 1.23 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 1mrd h LYS 64 CO 0.13 -0.07 0.00 0.41 -2.06 0.00 0.00 179.45 177.86 1mrd n GLY 65 N -1.43 3.58 0.10 3.86 0.00 -1.26 -4.58 105.19 105.46 1mrd n GLY 65 Ca 0.05 -0.78 -0.18 0.00 0.00 0.00 0.00 46.02 45.11 1mrd n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mrd n LYS 66 N -0.16 0.54 -3.88 1.61 4.76 -0.68 -4.97 118.16 115.38 1mrd n LYS 66 Ca 0.17 0.42 -0.26 0.00 -2.87 0.00 0.00 58.31 55.77 1mrd n LYS 66 Cb 0.71 -1.62 -0.03 0.00 -1.84 0.00 0.00 35.03 32.25 1mrd n LYS 66 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1mrd s ALA 67 N -2.57 3.93 -0.29 7.82 0.00 -0.88 -3.99 121.76 125.78 1mrd s ALA 67 Ca -0.28 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 50.71 1mrd s ALA 67 Cb 0.07 -1.84 0.16 0.00 0.00 0.00 0.00 23.12 21.51 1mrd s ALA 67 CO 0.45 0.51 0.40 -0.08 0.00 0.00 0.00 175.76 177.05 1mrd s THR 68 N -1.78 -0.62 0.37 0.00 -1.32 -0.46 -4.86 115.64 106.98 1mrd s THR 68 Ca 0.36 -0.29 -0.19 0.00 -1.21 0.00 0.00 61.69 60.36 1mrd s THR 68 Cb -0.11 -0.98 -0.10 0.00 -1.51 0.00 0.00 72.50 69.80 1mrd s THR 68 CO 0.29 -0.28 0.86 -0.76 -2.21 0.00 0.00 174.62 172.51 1mrd s LEU 69 N 2.53 4.03 0.19 9.08 2.01 -1.26 -2.67 118.68 132.59 1mrd s LEU 69 Ca 0.10 1.53 -0.13 0.00 0.01 0.00 0.00 54.13 55.64 1mrd s LEU 69 Cb -0.13 -4.30 0.01 0.00 0.01 0.00 0.00 46.19 41.78 1mrd s LEU 69 CO -0.29 -0.27 0.41 -0.89 1.01 0.00 0.00 176.35 176.31 1mrd s THR 70 N -2.05 0.04 0.09 5.49 2.01 -1.03 -5.02 115.64 115.17 1mrd s THR 70 Ca 0.58 -1.16 0.02 0.00 0.31 0.00 0.00 61.69 61.43 1mrd s THR 70 Cb -0.10 -1.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.60 1mrd s THR 70 CO 0.16 -0.18 0.07 1.33 -0.69 0.00 0.00 174.62 175.31 1mrd n VAL 71 N -0.29 0.00 0.00 3.82 0.24 -1.26 -1.54 118.33 119.30 1mrd n VAL 71 Ca -0.07 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 1mrd n VAL 71 Cb 0.63 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 1mrd n VAL 71 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1mrd n ASP 72 N -2.56 0.00 -4.25 -1.34 2.03 -1.26 -4.92 116.55 104.26 1mrd n ASP 72 Ca 0.02 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.90 1mrd n ASP 72 Cb 0.17 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.51 1mrd n ASP 72 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1mrd s SER 76 N 2.00 6.04 0.37 1.67 0.01 -1.26 -5.04 113.70 117.48 1mrd s SER 76 Ca 0.00 -2.26 0.07 0.00 1.31 0.00 0.00 55.95 55.07 1mrd s SER 76 Cb 0.00 -2.09 -0.07 0.00 0.21 0.00 0.00 66.02 64.07 1mrd s SER 76 CO 0.00 -0.64 -0.02 0.42 0.41 0.00 0.00 173.24 173.41 1mrd s THR 77 N 0.85 1.91 0.00 1.44 -4.23 -1.26 -1.70 115.64 112.64 1mrd s THR 77 Ca 0.10 -2.07 0.02 0.00 -1.18 0.00 0.00 61.69 58.57 1mrd s THR 77 Cb -0.22 -2.81 -0.01 0.00 1.34 0.00 0.00 72.50 70.80 1mrd s THR 77 CO -0.03 -0.09 -0.07 0.00 -0.54 0.00 0.00 174.62 173.89 1mrd s ALA 78 N -2.80 0.59 0.08 3.99 0.00 0.16 -4.54 121.76 119.24 1mrd s ALA 78 Ca 0.34 -0.36 0.08 0.00 0.00 0.00 0.00 51.96 52.03 1mrd s ALA 78 Cb 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1mrd s ALA 78 CO 0.17 0.13 -0.22 0.71 0.00 0.00 0.00 175.76 176.55 1mrd s TYR 79 N -0.30 1.87 -0.07 0.00 1.51 -0.59 0.13 117.35 119.90 1mrd s TYR 79 Ca 0.01 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.68 1mrd s TYR 79 Cb -0.03 -1.06 0.02 0.00 -0.11 0.00 0.00 41.96 40.78 1mrd s TYR 79 CO -0.00 0.18 -0.06 1.41 -1.11 0.00 0.00 175.55 175.97 1mrd s MET 80 N -1.65 1.15 -0.08 -0.62 -2.45 -0.47 -2.47 119.30 112.71 1mrd s MET 80 Ca 0.08 -0.16 0.02 0.00 -1.25 0.00 0.00 55.69 54.37 1mrd s MET 80 Cb -0.10 -1.19 -0.02 0.00 1.25 0.00 0.00 34.83 34.77 1mrd s MET 80 CO 0.03 -0.16 -0.12 -1.14 1.05 0.00 0.00 175.02 174.68 1mrd s GLN 81 N 1.32 2.82 0.00 4.11 0.74 -1.09 -0.50 119.66 127.05 1mrd s GLN 81 Ca -0.04 -0.66 0.00 0.00 0.05 0.00 0.00 55.36 54.71 1mrd s GLN 81 Cb -0.14 -2.50 0.00 0.00 1.10 0.00 0.00 33.01 31.47 1mrd s GLN 81 CO -0.03 0.51 0.00 1.28 -0.55 0.00 0.00 175.29 176.50 1mrd n LEU 82 N 2.66 0.00 -3.04 3.68 4.77 -0.35 -1.36 117.00 123.36 1mrd n LEU 82 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1mrd n LEU 82 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1mrd n LEU 82 CO 0.27 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.13 1mrd n SER 82 N 0.00 0.00 -4.75 -1.43 7.64 -1.08 -3.50 113.62 110.49 1mrd n SER 82 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.47 1mrd n SER 82 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1mrd n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1mrd s LEU 82 N -3.95 4.34 0.40 -3.43 1.43 -0.96 -4.67 118.68 111.84 1mrd s LEU 82 Ca 0.00 2.98 0.04 0.00 -1.03 0.00 0.00 54.13 56.11 1mrd s LEU 82 Cb 0.00 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 1mrd s LEU 82 CO 0.00 -0.93 0.07 0.28 0.23 0.00 0.00 176.35 176.00 1mrd s THR 83 N -0.00 1.05 0.51 5.49 -1.32 -1.26 -1.43 115.64 118.68 1mrd s THR 83 Ca 0.64 -2.00 0.15 0.00 -1.21 0.00 0.00 61.69 59.27 1mrd s THR 83 Cb -0.48 -2.53 0.27 0.00 -1.51 0.00 0.00 72.50 68.25 1mrd s THR 83 CO 0.48 0.00 2.14 0.28 -2.21 0.00 0.00 174.62 175.31 1mrd h SER 84 N 1.81 0.03 0.48 8.08 0.02 -1.96 0.45 113.55 122.45 1mrd h SER 84 Ca -0.40 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1mrd h SER 84 Cb 1.27 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 1mrd h SER 84 CO 0.67 0.02 -0.02 -0.08 -1.14 0.00 0.00 176.83 176.28 1mrd h GLU 85 N 0.03 0.00 -0.00 3.45 4.57 -1.95 -1.82 114.58 118.86 1mrd h GLU 85 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1mrd h GLU 85 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1mrd h GLU 85 CO -0.00 0.02 -0.02 -0.25 -1.18 0.00 0.00 179.01 177.58 1mrd n ASP 86 N -3.18 0.42 -4.58 1.04 9.92 0.15 -4.72 116.55 115.60 1mrd n ASP 86 Ca -0.01 -0.98 -0.42 0.00 -0.53 0.00 0.00 54.79 52.85 1mrd n ASP 86 Cb 0.19 -0.03 -0.02 0.00 -0.64 0.00 0.00 41.12 40.62 1mrd n ASP 86 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1mrd s SER 87 N -2.12 6.29 0.29 -2.24 0.01 -0.69 -4.84 113.70 110.40 1mrd s SER 87 Ca 0.41 0.28 -0.12 0.00 1.31 0.00 0.00 55.95 57.83 1mrd s SER 87 Cb 0.21 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.94 1mrd s SER 87 CO 0.39 -1.58 0.63 0.00 0.41 0.00 0.00 173.24 173.09 1mrd n ALA 88 N 9.02 -1.44 -2.76 1.44 0.00 -0.97 -4.88 120.51 120.91 1mrd n ALA 88 Ca 0.11 -0.97 -0.35 0.00 0.00 0.00 0.00 53.44 52.24 1mrd n ALA 88 Cb 0.49 0.76 -0.08 0.00 0.00 0.00 0.00 19.45 20.61 1mrd n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1mrd s VAL 89 N -2.29 5.23 -0.21 0.00 1.01 0.02 -0.77 120.40 123.39 1mrd s VAL 89 Ca 0.13 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.21 1mrd s VAL 89 Cb -0.04 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1mrd s VAL 89 CO 0.09 0.45 -0.09 -0.31 0.00 0.00 0.00 175.10 175.24 1mrd s TYR 90 N 0.33 2.90 0.19 5.22 2.02 -0.06 -0.99 117.35 126.96 1mrd s TYR 90 Ca 0.07 -1.15 0.05 0.00 -0.37 0.00 0.00 57.07 55.67 1mrd s TYR 90 Cb -0.11 -2.04 -0.04 0.00 -0.40 0.00 0.00 41.96 39.37 1mrd s TYR 90 CO -0.01 -0.62 0.18 0.71 -1.57 0.00 0.00 175.55 174.24 1mrd s TYR 91 N 1.39 3.19 0.00 2.71 2.02 -0.32 -0.93 117.35 125.42 1mrd s TYR 91 Ca 0.05 -0.03 0.08 0.00 -0.37 0.00 0.00 57.07 56.80 1mrd s TYR 91 Cb -0.14 -1.50 -0.02 0.00 -0.40 0.00 0.00 41.96 39.90 1mrd s TYR 91 CO -0.06 0.52 -0.24 0.00 -1.57 0.00 0.00 175.55 174.20 1mrd s ALA 93 N -0.64 -0.98 -0.29 0.00 0.00 0.04 -1.18 121.76 118.71 1mrd s ALA 93 Ca 0.09 0.05 -0.03 0.00 0.00 0.00 0.00 51.96 52.08 1mrd s ALA 93 Cb -0.09 0.63 0.04 0.00 0.00 0.00 0.00 23.12 23.70 1mrd s ALA 93 CO 0.00 -0.61 0.00 -0.80 0.00 0.00 0.00 175.76 174.35 1mrd s ASN 94 N -2.64 4.80 -0.60 0.00 0.02 0.65 0.08 114.94 117.25 1mrd s ASN 94 Ca 0.01 -1.11 0.03 0.00 -1.02 0.00 0.00 52.86 50.78 1mrd s ASN 94 Cb 0.01 -1.73 0.15 0.00 0.02 0.00 0.00 41.25 39.70 1mrd s ASN 94 CO -0.10 -0.23 0.37 -0.76 0.02 0.00 0.00 177.10 176.40 1mrd s LEU 95 N 1.31 4.60 -0.54 0.60 1.43 -1.26 -0.77 118.68 124.05 1mrd s LEU 95 Ca -0.03 -3.28 0.06 0.00 -1.03 0.00 0.00 54.13 49.85 1mrd s LEU 95 Cb -0.19 -1.67 0.22 0.00 0.03 0.00 0.00 46.19 44.58 1mrd s LEU 95 CO -0.01 -0.20 0.55 -1.14 0.23 0.00 0.00 176.35 175.78 1mrd n ARG 96 N 2.77 1.38 0.00 1.70 0.00 -0.42 -5.01 116.66 117.08 1mrd n ARG 96 Ca 0.10 -3.91 0.00 0.00 -0.00 0.00 0.00 57.85 54.04 1mrd n ARG 96 Cb 0.34 -1.84 0.00 0.00 0.00 0.00 0.00 32.46 30.95 1mrd n ARG 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1mrd n GLY 97 N 1.65 3.58 0.06 5.14 0.00 -1.26 -1.22 105.19 113.13 1mrd n GLY 97 Ca 0.25 0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.56 1mrd n GLY 97 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1mrd n TYR 98 N 10.49 0.37 -3.39 1.61 4.11 -1.26 -3.99 117.16 125.11 1mrd n TYR 98 Ca 0.00 0.14 -0.45 0.00 -0.00 0.00 0.00 57.90 57.60 1mrd n TYR 98 Cb 0.00 -0.73 -0.02 0.00 -0.00 0.00 0.00 39.34 38.59 1mrd n TYR 98 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.86 176.98 1mrd s PHE 99 N -3.13 3.95 -0.23 -3.48 5.36 -0.36 -4.99 117.98 115.10 1mrd s PHE 99 Ca 0.07 -2.40 0.01 0.00 -0.96 0.00 0.00 56.93 53.65 1mrd s PHE 99 Cb 0.10 -3.73 0.05 0.00 -0.34 0.00 0.00 43.02 39.10 1mrd s PHE 99 CO 0.36 -0.94 -0.09 0.34 -1.46 0.00 0.00 175.22 173.43 1mrd s ASP 101 N 1.53 3.82 -0.02 6.13 -1.08 -1.25 -1.30 116.67 124.50 1mrd s ASP 101 Ca 0.24 -1.12 0.01 0.00 -0.52 0.00 0.00 52.55 51.15 1mrd s ASP 101 Cb -0.11 -1.29 0.02 0.00 -1.46 0.00 0.00 42.92 40.08 1mrd s ASP 101 CO -0.08 -0.19 -0.01 -0.31 0.52 0.00 0.00 175.17 175.10 1mrd s TYR 102 N 1.32 0.27 0.11 -5.34 2.02 0.05 -4.98 117.35 110.80 1mrd s TYR 102 Ca -0.05 -0.01 0.10 0.00 -0.37 0.00 0.00 57.07 56.75 1mrd s TYR 102 Cb -0.18 -0.31 -0.04 0.00 -0.40 0.00 0.00 41.96 41.03 1mrd s TYR 102 CO -0.07 -0.08 -0.24 -1.58 -1.57 0.00 0.00 175.55 172.01 1mrd s TRP 103 N 0.66 2.38 0.78 2.71 0.52 -1.26 -0.26 118.94 124.47 1mrd s TRP 103 Ca -0.06 -0.35 -0.08 0.00 0.02 0.00 0.00 56.10 55.62 1mrd s TRP 103 Cb -0.09 -1.30 0.11 0.00 -1.15 0.00 0.00 33.47 31.04 1mrd s TRP 103 CO -0.01 0.32 1.10 0.20 0.02 0.00 0.00 176.95 178.58 1mrd s GLY 104 N -1.96 1.72 0.54 0.98 0.00 -0.32 -4.65 107.32 103.62 1mrd s GLY 104 Ca 0.15 -1.12 0.30 0.00 0.00 0.00 0.00 44.72 44.05 1mrd s GLY 104 CO 0.07 -0.59 2.08 1.46 0.00 0.00 0.00 173.10 176.12 1mrd h GLN 105 N -0.88 0.00 0.00 2.90 4.20 -1.90 -3.44 115.11 115.99 1mrd h GLN 105 Ca -0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.28 1mrd h GLN 105 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 1mrd h GLN 105 CO 0.52 0.09 0.00 0.41 -0.67 0.00 0.00 178.83 179.18 1mrd n GLY 106 N -0.59 0.60 3.28 3.46 0.00 -1.26 -5.01 105.19 105.67 1mrd n GLY 106 Ca -0.01 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 1mrd n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mrd s THR 107 N -1.85 2.82 -0.25 2.61 2.01 -0.11 -4.54 115.64 116.33 1mrd s THR 107 Ca 0.00 -0.71 -0.25 0.00 0.31 0.00 0.00 61.69 61.05 1mrd s THR 107 Cb 0.00 -2.21 -0.00 0.00 0.01 0.00 0.00 72.50 70.29 1mrd s THR 107 CO 0.00 0.50 0.83 -0.89 -0.69 0.00 0.00 174.62 174.37 1mrd s THR 108 N 0.94 4.82 -0.31 -0.82 2.01 -0.02 -0.88 115.64 121.37 1mrd s THR 108 Ca -0.03 1.52 -0.09 0.00 0.31 0.00 0.00 61.69 63.41 1mrd s THR 108 Cb -0.15 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.23 1mrd s THR 108 CO -0.01 -0.11 0.13 -0.22 -0.69 0.00 0.00 174.62 173.71 1mrd s LEU 109 N 2.89 4.10 -0.28 4.42 1.98 0.05 -0.30 118.68 131.54 1mrd s LEU 109 Ca 0.35 -0.68 -0.08 0.00 -2.89 0.00 0.00 54.13 50.84 1mrd s LEU 109 Cb -0.15 -1.96 -0.01 0.00 0.66 0.00 0.00 46.19 44.74 1mrd s LEU 109 CO 0.08 -0.22 0.09 -0.89 -1.89 0.00 0.00 176.35 173.52 1mrd s THR 110 N 1.56 4.22 -0.44 3.68 2.01 0.18 -2.30 115.64 124.54 1mrd s THR 110 Ca 0.03 -0.45 -0.16 0.00 0.31 0.00 0.00 61.69 61.43 1mrd s THR 110 Cb -0.17 -3.10 0.04 0.00 0.01 0.00 0.00 72.50 69.28 1mrd s THR 110 CO 0.05 0.17 0.38 -0.69 -0.69 0.00 0.00 174.62 173.84 1mrd s VAL 111 N 1.57 5.20 -0.06 3.82 1.01 -1.26 -1.06 120.40 129.62 1mrd s VAL 111 Ca 0.04 -0.73 -0.31 0.00 0.00 0.00 0.00 61.98 60.99 1mrd s VAL 111 Cb -0.16 -4.04 0.07 0.00 0.00 0.00 0.00 36.38 32.25 1mrd s VAL 111 CO 0.04 -0.45 0.69 -0.55 0.00 0.00 0.00 175.10 174.83 1mrd s SER 112 N 2.07 -0.65 0.10 3.32 0.15 0.52 -4.71 113.70 114.50 1mrd s SER 112 Ca 0.07 0.72 0.09 0.00 0.70 0.00 0.00 55.95 57.53 1mrd s SER 112 Cb -0.20 0.54 -0.19 0.00 -1.71 0.00 0.00 66.02 64.46 1mrd s SER 112 CO 0.10 -0.60 1.16 0.77 1.20 0.00 0.00 173.24 175.87 1mrd h SER 113 N 3.01 0.00 -2.29 5.45 4.64 -1.95 -3.33 113.55 119.08 1mrd h SER 113 Ca -0.27 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.44 1mrd h SER 113 Cb 1.14 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.35 1mrd h SER 113 CO 0.38 0.94 -0.12 0.00 -0.87 0.00 0.00 176.83 177.16 1mrd n ALA 114 N -2.38 -0.95 -2.35 5.18 0.00 -1.26 -4.96 120.51 113.80 1mrd n ALA 114 Ca -0.03 0.31 -0.33 0.00 0.00 0.00 0.00 53.44 53.39 1mrd n ALA 114 Cb 0.94 -1.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.44 1mrd n ALA 114 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1mrd s LYS 115 N -1.54 3.88 0.28 0.00 -0.14 -1.26 -5.02 119.74 115.94 1mrd s LYS 115 Ca 0.61 0.40 -0.30 0.00 -1.36 0.00 0.00 55.97 55.32 1mrd s LYS 115 Cb -0.69 -2.66 -0.12 0.00 -1.68 0.00 0.00 37.83 32.68 1mrd s LYS 115 CO 0.58 0.32 1.48 2.41 -0.76 0.00 0.00 175.35 179.38 1mrd n THR 116 N -0.00 1.15 -4.05 2.17 -1.04 -1.26 -4.78 114.28 106.47 1mrd n THR 116 Ca 0.00 -0.29 -0.18 0.00 -2.04 0.00 0.00 64.05 61.54 1mrd n THR 116 Cb 0.52 -1.72 -0.16 0.00 -1.82 0.00 0.00 70.33 67.16 1mrd n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1mrd s THR 117 N -0.20 0.34 0.53 12.58 2.01 0.57 -4.93 115.64 126.54 1mrd s THR 117 Ca 0.64 -0.02 -0.18 0.00 0.31 0.00 0.00 61.69 62.45 1mrd s THR 117 Cb -0.57 -0.40 -0.07 0.00 0.01 0.00 0.00 72.50 71.48 1mrd s THR 117 CO 0.51 0.18 1.03 -2.84 -0.69 0.00 0.00 174.62 172.81 1mrd s PRO 118 N 0.92 3.68 0.40 4.92 0.02 -1.26 -1.25 135.00 142.42 1mrd s PRO 118 Ca -0.11 1.20 -0.15 0.00 0.02 0.00 0.00 61.00 61.96 1mrd s PRO 118 Cb -0.14 -2.09 -0.09 0.00 0.02 0.00 0.00 34.50 32.21 1mrd s PRO 118 CO -0.01 -0.51 0.83 -1.25 -0.33 0.00 0.00 177.00 175.73 1mrd s PRO 119 N -3.73 3.98 -0.26 5.54 0.04 -1.26 -4.46 135.00 134.85 1mrd s PRO 119 Ca 0.64 0.76 -0.10 0.00 0.04 0.00 0.00 61.00 62.34 1mrd s PRO 119 Cb -0.14 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 1mrd s PRO 119 CO 0.28 -0.01 0.15 -1.12 0.04 0.00 0.00 177.00 176.35 1mrd s SER 120 N -2.62 5.82 -0.17 6.66 0.01 -0.13 -4.91 113.70 118.36 1mrd s SER 120 Ca 0.56 -0.02 -0.07 0.00 1.31 0.00 0.00 55.95 57.74 1mrd s SER 120 Cb -0.10 -2.06 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 1mrd s SER 120 CO 0.22 -0.00 0.04 -0.69 0.41 0.00 0.00 173.24 173.22 1mrd s VAL 121 N 1.46 4.62 -0.01 3.43 1.01 -1.26 -0.60 120.40 129.05 1mrd s VAL 121 Ca 0.07 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.00 1mrd s VAL 121 Cb -0.15 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 1mrd s VAL 121 CO 0.07 0.47 -0.18 -0.31 0.00 0.00 0.00 175.10 175.16 1mrd s TYR 122 N 0.33 1.59 0.23 5.22 2.02 -0.13 -4.96 117.35 121.66 1mrd s TYR 122 Ca 0.02 -0.30 -0.23 0.00 -0.37 0.00 0.00 57.07 56.19 1mrd s TYR 122 Cb -0.13 -1.02 -0.09 0.00 -0.40 0.00 0.00 41.96 40.33 1mrd s TYR 122 CO 0.01 -0.02 0.80 -1.25 -1.57 0.00 0.00 175.55 173.51 1mrd s PRO 123 N -0.45 4.43 -0.43 -1.71 0.04 -1.26 -0.28 135.00 135.34 1mrd s PRO 123 Ca 0.07 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.19 1mrd s PRO 123 Cb -0.07 -2.97 0.12 0.00 0.04 0.00 0.00 34.50 31.62 1mrd s PRO 123 CO -0.01 0.41 0.19 -0.51 0.04 0.00 0.00 177.00 177.13 1mrd s LEU 124 N -1.76 4.93 -0.07 -3.56 1.43 0.82 -4.89 118.68 115.57 1mrd s LEU 124 Ca 0.43 -2.35 -0.02 0.00 -1.03 0.00 0.00 54.13 51.16 1mrd s LEU 124 Cb -0.19 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1mrd s LEU 124 CO 0.23 -0.41 0.02 0.00 0.23 0.00 0.00 176.35 176.42 1mrd s ALA 125 N 0.65 3.34 0.72 4.21 0.00 -1.26 -1.89 121.76 127.53 1mrd s ALA 125 Ca 0.12 -0.81 -0.15 0.00 0.00 0.00 0.00 51.96 51.12 1mrd s ALA 125 Cb -0.22 -1.50 0.03 0.00 0.00 0.00 0.00 23.12 21.44 1mrd s ALA 125 CO -0.05 0.60 1.18 -1.25 0.00 0.00 0.00 175.76 176.24 1mrd s PRO 126 N -1.02 2.26 -0.44 0.00 0.04 -1.26 -5.06 135.00 129.51 1mrd s PRO 126 Ca 0.15 1.65 0.04 0.00 0.04 0.00 0.00 61.00 62.88 1mrd s PRO 126 Cb -0.11 -1.86 0.45 0.00 0.04 0.00 0.00 34.50 33.02 1mrd s PRO 126 CO 0.04 -1.72 1.47 0.41 0.04 0.00 0.00 177.00 177.24 1mrd n GLY 127 N 0.15 6.18 0.00 0.56 0.00 -1.26 -5.00 105.19 105.82 1mrd n GLY 127 Ca 0.13 -2.56 0.00 0.00 0.00 0.00 0.00 46.02 43.58 1mrd n GLY 127 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1mrd n THR 133 N -0.75 0.00 -1.38 2.61 -1.04 -1.26 -5.31 114.28 107.15 1mrd n THR 133 Ca 0.50 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.56 1mrd n THR 133 Cb 0.82 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.30 1mrd n THR 133 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1mrd n THR 134 N 0.00 -1.67 0.00 12.58 -2.24 -1.26 -4.98 114.28 116.72 1mrd n THR 134 Ca 0.00 0.98 0.00 0.00 -2.27 0.00 0.00 64.05 62.76 1mrd n THR 134 Cb 0.00 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 66.64 1mrd n THR 134 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mrd n GLY 135 N -3.12 0.55 0.03 3.38 0.00 -1.26 -4.66 105.19 100.11 1mrd n GLY 135 Ca -0.03 -1.84 0.13 0.00 0.00 0.00 0.00 46.02 44.28 1mrd n GLY 135 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mrd n SER 136 N -0.65 0.38 -3.70 1.61 3.41 -1.26 -4.70 113.62 108.71 1mrd n SER 136 Ca 0.00 -0.11 -0.14 0.00 -0.26 0.00 0.00 58.87 58.36 1mrd n SER 136 Cb 0.00 -0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 63.85 1mrd n SER 136 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1mrd s SER 137 N -2.91 -0.38 -0.05 4.04 1.04 -1.26 -1.85 113.70 112.33 1mrd s SER 137 Ca 0.15 0.49 0.06 0.00 0.48 0.00 0.00 55.95 57.13 1mrd s SER 137 Cb 0.18 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.85 1mrd s SER 137 CO 0.61 -0.38 -0.23 0.54 0.98 0.00 0.00 173.24 174.76 1mrd s VAL 138 N -0.76 2.24 -0.14 5.02 0.11 0.25 -4.72 120.40 122.39 1mrd s VAL 138 Ca -0.08 -1.01 -0.15 0.00 -2.93 0.00 0.00 61.98 57.81 1mrd s VAL 138 Cb -0.04 -1.82 -0.05 0.00 -1.53 0.00 0.00 36.38 32.95 1mrd s VAL 138 CO 0.04 0.57 0.34 -0.89 -3.33 0.00 0.00 175.10 171.83 1mrd s THR 139 N -0.32 5.27 0.34 5.04 2.01 -1.26 -1.19 115.64 125.54 1mrd s THR 139 Ca 0.01 0.65 0.06 0.00 0.31 0.00 0.00 61.69 62.72 1mrd s THR 139 Cb -0.13 -3.67 -0.07 0.00 0.01 0.00 0.00 72.50 68.64 1mrd s THR 139 CO 0.02 0.39 0.00 -0.76 -0.69 0.00 0.00 174.62 173.59 1mrd s LEU 140 N 0.39 2.52 0.27 4.42 1.43 0.10 -4.61 118.68 123.21 1mrd s LEU 140 Ca 0.19 -1.32 -0.20 0.00 -1.03 0.00 0.00 54.13 51.77 1mrd s LEU 140 Cb -0.14 -0.66 0.06 0.00 0.03 0.00 0.00 46.19 45.48 1mrd s LEU 140 CO 0.06 -0.46 0.88 -0.83 0.23 0.00 0.00 176.35 176.22 1mrd s GLY 141 N -3.56 0.12 0.01 -3.19 0.00 -0.79 -0.43 107.32 99.48 1mrd s GLY 141 Ca 0.34 -0.41 0.02 0.00 0.00 0.00 0.00 44.72 44.66 1mrd s GLY 141 CO 0.16 0.56 -0.05 0.00 0.00 0.00 0.00 173.10 173.76 1mrd s LEU 143 N -0.64 2.86 -0.34 0.00 2.96 0.62 -1.90 118.68 122.24 1mrd s LEU 143 Ca -0.03 -0.40 -0.12 0.00 -0.22 0.00 0.00 54.13 53.36 1mrd s LEU 143 Cb -0.05 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 1mrd s LEU 143 CO -0.00 -0.01 0.22 -0.69 -1.32 0.00 0.00 176.35 174.54 1mrd s VAL 144 N 1.44 5.03 -0.03 1.68 1.01 0.28 -0.95 120.40 128.86 1mrd s VAL 144 Ca 0.05 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.73 1mrd s VAL 144 Cb -0.14 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1mrd s VAL 144 CO -0.03 -0.03 -0.22 -0.75 0.00 0.00 0.00 175.10 174.06 1mrd s LYS 145 N 1.67 2.02 -1.05 2.72 2.20 0.23 -1.74 119.74 125.80 1mrd s LYS 145 Ca 0.05 -0.80 -0.05 0.00 -0.36 0.00 0.00 55.97 54.80 1mrd s LYS 145 Cb -0.18 -1.85 -0.06 0.00 -1.51 0.00 0.00 37.83 34.23 1mrd s LYS 145 CO 0.09 0.42 0.91 0.41 -0.36 0.00 0.00 175.35 176.82 1mrd n GLY 146 N 2.74 -1.07 3.46 5.54 0.00 -0.39 -0.96 105.19 114.51 1mrd n GLY 146 Ca -0.16 0.54 -0.23 0.00 0.00 0.00 0.00 46.02 46.17 1mrd n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1mrd s TYR 147 N -3.38 2.08 -0.28 1.61 -0.85 -1.07 -4.52 117.35 110.93 1mrd s TYR 147 Ca 0.42 -0.65 -0.21 0.00 -0.52 0.00 0.00 57.07 56.11 1mrd s TYR 147 Cb -0.05 -1.20 0.11 0.00 0.38 0.00 0.00 41.96 41.20 1mrd s TYR 147 CO 0.73 0.36 0.89 0.12 -1.52 0.00 0.00 175.55 176.13 1mrd s PHE 148 N -2.90 -0.68 0.94 -3.49 2.19 -0.38 -0.93 117.98 112.72 1mrd s PHE 148 Ca 0.31 1.50 -0.14 0.00 0.33 0.00 0.00 56.93 58.92 1mrd s PHE 148 Cb 0.03 0.40 0.16 0.00 -1.31 0.00 0.00 43.02 42.30 1mrd s PHE 148 CO 0.13 -0.33 1.19 -1.25 1.83 0.00 0.00 175.22 176.79 1mrd s PRO 149 N 0.83 0.91 0.18 10.12 0.04 -1.26 -0.32 135.00 145.50 1mrd s PRO 149 Ca -0.03 0.04 -0.28 0.00 0.04 0.00 0.00 61.00 60.78 1mrd s PRO 149 Cb -0.05 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.67 1mrd s PRO 149 CO -0.10 -2.30 1.55 1.49 0.04 0.00 0.00 177.00 177.67 1mrd h GLU 150 N -1.57 -0.04 -5.29 4.56 4.22 -1.99 -3.43 114.58 111.04 1mrd h GLU 150 Ca -0.47 0.00 -0.52 0.00 0.08 0.00 0.00 59.36 58.45 1mrd h GLU 150 Cb 1.30 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.51 1mrd h GLU 150 CO 0.54 -0.03 1.68 0.43 -2.18 0.00 0.00 179.01 179.45 1mrd n SER 151 N -5.32 0.93 -4.02 1.04 7.64 -1.26 -4.94 113.62 107.69 1mrd n SER 151 Ca 0.04 0.07 -0.17 0.00 1.01 0.00 0.00 58.87 59.82 1mrd n SER 151 Cb 0.30 -1.10 -0.14 0.00 -1.01 0.00 0.00 64.21 62.27 1mrd n SER 151 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1mrd s VAL 152 N 9.45 0.62 -0.12 0.44 1.01 -1.26 -4.23 120.40 126.31 1mrd s VAL 152 Ca 1.24 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.72 1mrd s VAL 152 Cb -0.99 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 34.84 1mrd s VAL 152 CO 0.45 0.04 -0.21 -0.89 0.00 0.00 0.00 175.10 174.48 1mrd s THR 153 N -0.47 1.94 -0.19 3.92 2.01 -0.57 -4.96 115.64 117.33 1mrd s THR 153 Ca 0.00 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 61.04 1mrd s THR 153 Cb -0.05 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.74 1mrd s THR 153 CO 0.00 0.53 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.73 1mrd s VAL 154 N 0.68 3.64 0.12 3.82 1.01 -1.26 -1.44 120.40 126.98 1mrd s VAL 154 Ca -0.11 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 61.53 1mrd s VAL 154 Cb -0.16 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1mrd s VAL 154 CO 0.02 0.45 -0.20 0.42 0.00 0.00 0.00 175.10 175.79 1mrd s THR 156 N 0.92 1.75 -0.14 3.92 -4.23 0.08 -4.93 115.64 113.00 1mrd s THR 156 Ca -0.00 -1.66 -0.00 0.00 -1.18 0.00 0.00 61.69 58.84 1mrd s THR 156 Cb -0.15 -1.65 -0.01 0.00 1.34 0.00 0.00 72.50 72.03 1mrd s THR 156 CO 0.01 -0.14 -0.13 0.26 -0.54 0.00 0.00 174.62 174.08 1mrd s TRP 157 N -1.44 2.82 -1.36 3.99 0.52 -1.26 0.56 118.94 122.77 1mrd s TRP 157 Ca 0.09 -0.72 -0.00 0.00 0.02 0.00 0.00 56.10 55.49 1mrd s TRP 157 Cb -0.09 -1.87 0.00 0.00 -1.15 0.00 0.00 33.47 30.37 1mrd s TRP 157 CO 0.05 -0.27 0.57 0.09 0.02 0.00 0.00 176.95 177.41 1mrd n ASN 162 N 3.68 -0.80 -2.30 2.95 4.13 -0.36 -0.56 115.26 122.01 1mrd n ASN 162 Ca -0.18 -0.91 -0.17 0.00 1.68 0.00 0.00 54.58 55.00 1mrd n ASN 162 Cb 0.52 -3.58 -0.02 0.00 -1.54 0.00 0.00 39.78 35.17 1mrd n ASN 162 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1mrd n SER 163 N -3.02 -5.01 0.00 6.41 7.64 -1.26 -1.22 113.62 117.16 1mrd n SER 163 Ca -0.30 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1mrd n SER 163 Cb 0.68 -4.23 0.00 0.00 -1.01 0.00 0.00 64.21 59.65 1mrd n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mrd n GLY 164 N -0.85 0.78 0.18 0.23 0.00 0.28 -4.91 105.19 100.90 1mrd n GLY 164 Ca -0.20 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.92 1mrd n GLY 164 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1mrd h SER 165 N 0.00 0.00 -3.12 1.61 4.64 -0.78 -3.39 113.55 112.51 1mrd h SER 165 Ca 0.00 0.00 -0.74 0.00 -0.47 0.00 0.00 61.79 60.58 1mrd h SER 165 Cb 0.00 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 61.87 1mrd h SER 165 CO 0.00 0.12 -0.16 -0.22 -0.87 0.00 0.00 176.83 175.70 1mrd s LEU 166 N -6.07 5.78 0.00 5.97 2.96 -0.85 -4.82 118.68 121.64 1mrd s LEU 166 Ca 0.05 -1.52 0.00 0.00 -0.22 0.00 0.00 54.13 52.43 1mrd s LEU 166 Cb 0.06 -2.24 0.00 0.00 0.50 0.00 0.00 46.19 44.51 1mrd s LEU 166 CO 0.71 -0.86 0.11 -1.54 -1.32 0.00 0.00 176.35 173.46 1mrd n SER 167 N 5.53 0.22 0.12 3.68 3.41 -1.26 -4.28 113.62 121.04 1mrd n SER 167 Ca -0.12 -0.65 -0.03 0.00 -0.26 0.00 0.00 58.87 57.82 1mrd n SER 167 Cb 0.42 0.18 0.14 0.00 -0.26 0.00 0.00 64.21 64.68 1mrd n SER 167 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1mrd h SER 168 N 0.00 0.06 -0.30 4.04 4.64 -1.96 -3.34 113.55 116.69 1mrd h SER 168 Ca 0.00 -0.04 -0.23 0.00 -0.47 0.00 0.00 61.79 61.05 1mrd h SER 168 Cb 0.17 -0.02 -0.22 0.00 -0.31 0.00 0.00 62.40 62.02 1mrd h SER 168 CO 0.00 0.69 -0.71 -1.54 -0.87 0.00 0.00 176.83 174.40 1mrd n SER 169 N -3.79 2.82 -4.85 4.97 3.41 -1.26 -5.05 113.62 109.87 1mrd n SER 169 Ca -0.01 -3.55 -0.36 0.00 -0.26 0.00 0.00 58.87 54.68 1mrd n SER 169 Cb 0.64 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 64.10 1mrd n SER 169 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1mrd s VAL 171 N -3.49 5.04 -0.10 -3.33 1.01 -1.26 -2.80 120.40 115.47 1mrd s VAL 171 Ca 0.42 0.68 0.01 0.00 0.00 0.00 0.00 61.98 63.09 1mrd s VAL 171 Cb 0.38 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 33.10 1mrd s VAL 171 CO -0.04 0.43 -0.10 -1.00 0.00 0.00 0.00 175.10 174.39 1mrd s HIS 172 N -1.25 1.54 -0.18 5.22 3.76 -0.38 -4.97 115.29 119.03 1mrd s HIS 172 Ca 0.29 -0.70 -0.02 0.00 -0.15 0.00 0.00 55.06 54.47 1mrd s HIS 172 Cb -0.15 -1.20 -0.01 0.00 1.11 0.00 0.00 32.58 32.32 1mrd s HIS 172 CO 0.16 -0.43 -0.09 0.99 -0.85 0.00 0.00 174.74 174.52 1mrd s THR 173 N 1.27 3.18 -0.07 1.30 2.01 -1.26 -0.60 115.64 121.46 1mrd s THR 173 Ca -0.03 -0.58 -0.13 0.00 0.31 0.00 0.00 61.69 61.26 1mrd s THR 173 Cb -0.14 -2.40 -0.05 0.00 0.01 0.00 0.00 72.50 69.92 1mrd s THR 173 CO -0.04 0.47 0.32 -0.36 -0.69 0.00 0.00 174.62 174.33 1mrd s PHE 174 N 1.01 3.63 0.41 4.92 0.08 -0.74 -5.03 117.98 122.26 1mrd s PHE 174 Ca -0.00 0.79 -0.25 0.00 0.12 0.00 0.00 56.93 57.58 1mrd s PHE 174 Cb -0.15 -2.23 -0.11 0.00 -0.57 0.00 0.00 43.02 39.97 1mrd s PHE 174 CO -0.01 0.55 1.08 -2.30 -0.10 0.00 0.00 175.22 174.44 1mrd n PRO 175 N 2.35 1.50 -2.02 0.24 -0.02 -1.26 -3.97 135.00 131.82 1mrd n PRO 175 Ca -0.15 0.54 -0.35 0.00 -2.02 0.00 0.00 63.50 61.52 1mrd n PRO 175 Cb 0.53 -2.12 0.03 0.00 -0.02 0.00 0.00 33.50 31.92 1mrd n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mrd s ALA 176 N -1.24 2.56 0.05 3.55 0.00 -1.26 -4.71 121.76 120.71 1mrd s ALA 176 Ca 0.62 0.84 0.02 0.00 0.00 0.00 0.00 51.96 53.45 1mrd s ALA 176 Cb -0.55 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.15 1mrd s ALA 176 CO 0.57 -1.08 -0.08 -0.51 0.00 0.00 0.00 175.76 174.67 1mrd s LEU 177 N -4.19 2.31 -0.22 0.00 1.02 0.32 -4.88 118.68 113.05 1mrd s LEU 177 Ca 0.73 -0.65 -0.26 0.00 0.02 0.00 0.00 54.13 53.98 1mrd s LEU 177 Cb -0.26 -0.15 -0.00 0.00 0.02 0.00 0.00 46.19 45.80 1mrd s LEU 177 CO 0.33 -0.26 0.87 -0.76 0.02 0.00 0.00 176.35 176.55 1mrd s LEU 178 N -1.90 4.11 -0.19 1.79 2.01 -1.26 -0.20 118.68 123.03 1mrd s LEU 178 Ca -0.05 1.14 -0.00 0.00 0.01 0.00 0.00 54.13 55.23 1mrd s LEU 178 Cb -0.07 -3.27 0.05 0.00 0.01 0.00 0.00 46.19 42.91 1mrd s LEU 178 CO -0.01 -0.52 -0.06 -1.58 1.01 0.00 0.00 176.35 175.20 1mrd s GLN 179 N 2.74 1.57 7.87 1.70 0.74 0.96 -4.96 119.66 130.27 1mrd s GLN 179 Ca 0.38 -0.71 0.00 0.00 0.05 0.00 0.00 55.36 55.07 1mrd s GLN 179 Cb -0.16 -2.26 0.00 0.00 1.10 0.00 0.00 33.01 31.69 1mrd s GLN 179 CO 0.08 -0.49 0.00 0.45 -0.55 0.00 0.00 175.29 174.78 1mrd n SER 180 N 4.79 0.00 0.00 6.67 2.88 -1.26 -2.05 113.62 124.65 1mrd n SER 180 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1mrd n SER 180 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 1mrd n SER 180 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1mrd n GLY 183 N 0.00 1.88 3.63 0.46 0.00 -1.26 -5.04 105.19 104.87 1mrd n GLY 183 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1mrd n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mrd s LEU 184 N -0.75 3.00 0.43 0.99 2.01 -0.87 -5.00 118.68 118.48 1mrd s LEU 184 Ca 0.00 -0.96 -0.07 0.00 0.01 0.00 0.00 54.13 53.11 1mrd s LEU 184 Cb 0.00 -1.39 -0.05 0.00 0.01 0.00 0.00 46.19 44.77 1mrd s LEU 184 CO 0.00 -0.22 0.75 -0.31 1.01 0.00 0.00 176.35 177.58 1mrd s TYR 185 N -2.50 3.52 -0.14 0.29 2.02 -0.11 -0.03 117.35 120.40 1mrd s TYR 185 Ca 0.35 0.86 -0.08 0.00 -0.37 0.00 0.00 57.07 57.83 1mrd s TYR 185 Cb -0.01 -2.32 0.05 0.00 -0.40 0.00 0.00 41.96 39.29 1mrd s TYR 185 CO 0.19 -0.16 0.35 0.99 -1.57 0.00 0.00 175.55 175.35 1mrd s THR 186 N -2.54 -0.03 0.14 -0.71 2.01 0.72 -1.26 115.64 113.97 1mrd s THR 186 Ca 0.48 0.10 -0.09 0.00 0.31 0.00 0.00 61.69 62.50 1mrd s THR 186 Cb -0.10 -0.52 -0.01 0.00 0.01 0.00 0.00 72.50 71.88 1mrd s THR 186 CO 0.38 0.04 0.25 0.00 -0.69 0.00 0.00 174.62 174.61 1mrd s MET 187 N 1.25 1.07 0.14 4.92 0.23 -0.71 -0.52 119.30 125.68 1mrd s MET 187 Ca -0.09 -1.13 0.02 0.00 -1.03 0.00 0.00 55.69 53.46 1mrd s MET 187 Cb -0.09 0.36 -0.04 0.00 -1.53 0.00 0.00 34.83 33.53 1mrd s MET 187 CO -0.10 -0.38 -0.02 -1.12 -2.03 0.00 0.00 175.02 171.37 1mrd s SER 188 N -2.94 1.11 0.00 -1.18 0.01 -1.25 -0.56 113.70 108.89 1mrd s SER 188 Ca 0.14 -1.12 -0.01 0.00 1.31 0.00 0.00 55.95 56.27 1mrd s SER 188 Cb 0.04 0.13 -0.01 0.00 0.21 0.00 0.00 66.02 66.39 1mrd s SER 188 CO -0.03 -0.55 0.02 -0.55 0.41 0.00 0.00 173.24 172.55 1mrd s SER 189 N -3.12 0.08 0.12 2.44 0.15 -0.80 -1.80 113.70 110.78 1mrd s SER 189 Ca 0.20 -0.19 0.07 0.00 0.70 0.00 0.00 55.95 56.73 1mrd s SER 189 Cb 0.06 0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.43 1mrd s SER 189 CO 0.01 -0.16 -0.17 -0.94 1.20 0.00 0.00 173.24 173.17 1mrd s SER 190 N -0.72 2.30 -0.03 5.45 1.04 0.23 -1.41 113.70 120.58 1mrd s SER 190 Ca -0.08 -0.77 -0.01 0.00 0.48 0.00 0.00 55.95 55.58 1mrd s SER 190 Cb -0.05 -0.11 0.02 0.00 0.10 0.00 0.00 66.02 65.98 1mrd s SER 190 CO -0.00 -0.05 0.05 0.54 0.98 0.00 0.00 173.24 174.76 1mrd s VAL 191 N -1.73 -0.04 -0.24 5.02 0.11 0.43 -1.25 120.40 122.70 1mrd s VAL 191 Ca 0.09 0.14 -0.05 0.00 -2.93 0.00 0.00 61.98 59.23 1mrd s VAL 191 Cb -0.07 -0.10 -0.01 0.00 -1.53 0.00 0.00 36.38 34.66 1mrd s VAL 191 CO 0.04 0.06 0.01 -0.89 -3.33 0.00 0.00 175.10 170.99 1mrd s THR 192 N 0.76 3.79 0.33 5.04 2.01 -1.12 0.03 115.64 126.49 1mrd s THR 192 Ca -0.06 -0.38 0.08 0.00 0.31 0.00 0.00 61.69 61.64 1mrd s THR 192 Cb -0.09 -2.77 -0.06 0.00 0.01 0.00 0.00 72.50 69.59 1mrd s THR 192 CO -0.03 0.36 -0.07 0.68 -0.69 0.00 0.00 174.62 174.87 1mrd s VAL 193 N 1.53 2.04 0.29 3.82 -7.23 -0.33 -4.70 120.40 115.82 1mrd s VAL 193 Ca 0.06 -2.17 -0.29 0.00 -1.81 0.00 0.00 61.98 57.77 1mrd s VAL 193 Cb -0.15 -2.62 -0.10 0.00 0.56 0.00 0.00 36.38 34.07 1mrd s VAL 193 CO -0.00 -0.21 1.37 -2.84 -0.31 0.00 0.00 175.10 173.11 1mrd s PRO 194 N -3.65 4.31 0.29 4.82 0.02 -1.26 -0.58 135.00 138.94 1mrd s PRO 194 Ca 0.32 2.26 0.04 0.00 0.02 0.00 0.00 61.00 63.64 1mrd s PRO 194 Cb 0.03 -3.09 0.70 0.00 0.02 0.00 0.00 34.50 32.16 1mrd s PRO 194 CO 0.15 -0.31 1.75 0.77 -0.33 0.00 0.00 177.00 179.04 1mrd h SER 195 N 4.21 0.64 0.72 2.53 0.02 -1.65 -0.56 113.55 119.45 1mrd h SER 195 Ca -0.47 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1mrd h SER 195 Cb 1.22 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1mrd h SER 195 CO 0.71 0.20 0.00 0.77 -1.14 0.00 0.00 176.83 177.37 1mrd h SER 196 N 0.65 0.00 0.60 3.07 4.64 -1.92 -2.82 113.55 117.77 1mrd h SER 196 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1mrd h SER 196 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1mrd h SER 196 CO -0.41 0.00 -0.54 0.35 -0.87 0.00 0.00 176.83 175.36 1mrd n THR 198 N -2.74 0.09 -4.50 2.95 -2.24 -0.22 -4.51 114.28 103.11 1mrd n THR 198 Ca 0.00 -0.08 -0.22 0.00 -2.27 0.00 0.00 64.05 61.48 1mrd n THR 198 Cb 0.23 0.13 -0.16 0.00 -2.10 0.00 0.00 70.33 68.43 1mrd n THR 198 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1mrd s TRP 199 N -3.05 1.19 -1.14 4.78 -0.00 -1.06 -0.66 118.94 119.00 1mrd s TRP 199 Ca 0.10 -0.35 0.07 0.00 -0.00 0.00 0.00 56.10 55.91 1mrd s TRP 199 Cb 0.16 -0.86 0.30 0.00 -0.00 0.00 0.00 33.47 33.08 1mrd s TRP 199 CO 0.70 -0.17 1.07 -0.35 -0.00 0.00 0.00 176.95 178.21 1mrd n PRO 200 N 3.48 2.26 -0.34 5.86 -0.04 -1.26 -4.87 135.00 140.09 1mrd n PRO 200 Ca -0.20 -1.18 0.07 0.00 -0.04 0.00 0.00 63.50 62.15 1mrd n PRO 200 Cb 0.53 -1.61 0.26 0.00 -0.04 0.00 0.00 33.50 32.64 1mrd n PRO 200 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1mrd h SER 202 N 1.63 0.89 -4.01 3.54 4.64 -1.78 -3.40 113.55 115.06 1mrd h SER 202 Ca 0.00 0.04 -0.69 0.00 -0.47 0.00 0.00 61.79 60.67 1mrd h SER 202 Cb 0.85 -0.14 -0.23 0.00 -0.31 0.00 0.00 62.40 62.57 1mrd h SER 202 CO 0.13 0.49 -0.78 -1.10 -0.87 0.00 0.00 176.83 174.70 1mrd s GLN 203 N -5.91 2.35 0.08 4.77 -0.21 0.17 -5.11 119.66 115.80 1mrd s GLN 203 Ca -0.12 -0.80 -0.09 0.00 0.02 0.00 0.00 55.36 54.37 1mrd s GLN 203 Cb 0.22 -2.31 -0.06 0.00 1.00 0.00 0.00 33.01 31.86 1mrd s GLN 203 CO 0.80 0.59 0.39 -0.08 -2.12 0.00 0.00 175.29 174.88 1mrd s THR 204 N -0.81 5.11 0.05 -0.19 -1.32 -1.26 -4.53 115.64 112.69 1mrd s THR 204 Ca 0.13 0.41 0.06 0.00 -1.21 0.00 0.00 61.69 61.08 1mrd s THR 204 Cb -0.11 -3.64 -0.03 0.00 -1.51 0.00 0.00 72.50 67.21 1mrd s THR 204 CO 0.03 0.27 -0.13 0.68 -2.21 0.00 0.00 174.62 173.26 1mrd s VAL 205 N -1.41 3.16 -0.01 5.08 -7.23 -1.26 -5.02 120.40 113.70 1mrd s VAL 205 Ca 0.33 -1.10 0.02 0.00 -1.81 0.00 0.00 61.98 59.42 1mrd s VAL 205 Cb -0.14 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.42 1mrd s VAL 205 CO 0.18 0.30 -0.06 -0.89 -0.31 0.00 0.00 175.10 174.31 1mrd s THR 206 N -1.02 0.55 -0.13 5.32 2.01 -1.26 -1.37 115.64 119.75 1mrd s THR 206 Ca 0.17 -0.26 -0.04 0.00 0.31 0.00 0.00 61.69 61.87 1mrd s THR 206 Cb -0.11 -0.48 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 1mrd s THR 206 CO 0.08 0.17 0.01 0.00 -0.69 0.00 0.00 174.62 174.19 1mrd s SER 209 N -0.30 4.50 -0.15 0.00 0.01 0.19 -1.60 113.70 116.36 1mrd s SER 209 Ca 0.07 -0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.14 1mrd s SER 209 Cb -0.12 -1.69 0.00 0.00 0.21 0.00 0.00 66.02 64.42 1mrd s SER 209 CO 0.02 0.18 -0.17 -0.69 0.41 0.00 0.00 173.24 172.99 1mrd s VAL 210 N 0.30 2.49 -0.19 3.43 1.01 0.23 -0.74 120.40 126.92 1mrd s VAL 210 Ca -0.06 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1mrd s VAL 210 Cb -0.15 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.20 1mrd s VAL 210 CO 0.04 0.52 -0.13 0.00 0.00 0.00 0.00 175.10 175.53 1mrd s ALA 211 N 0.80 2.55 -0.53 5.51 0.00 -0.52 -1.01 121.76 128.56 1mrd s ALA 211 Ca -0.06 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 50.71 1mrd s ALA 211 Cb -0.15 -1.40 0.14 0.00 0.00 0.00 0.00 23.12 21.70 1mrd s ALA 211 CO -0.00 -0.35 0.31 -1.58 0.00 0.00 0.00 175.76 174.14 1mrd s HIS 212 N 1.32 3.44 0.17 0.00 2.46 0.10 -1.51 115.29 121.28 1mrd s HIS 212 Ca 0.04 -2.75 -0.15 0.00 0.47 0.00 0.00 55.06 52.67 1mrd s HIS 212 Cb -0.14 -3.11 0.11 0.00 -0.13 0.00 0.00 32.58 29.31 1mrd s HIS 212 CO -0.08 -0.87 1.74 -1.35 -2.47 0.00 0.00 174.74 171.72 1mrd h PRO 213 N 7.24 0.27 -0.55 2.88 0.11 -1.78 -0.44 132.00 139.73 1mrd h PRO 213 Ca -0.06 -0.02 0.16 0.00 0.11 0.00 0.00 66.00 66.20 1mrd h PRO 213 Cb 0.97 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 1mrd h PRO 213 CO 0.69 0.18 0.56 0.00 -0.21 0.00 0.00 178.00 179.22 1mrd h ALA 214 N 1.29 2.32 -0.11 -0.75 0.00 -1.93 0.11 119.26 120.18 1mrd h ALA 214 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1mrd h ALA 214 Cb 0.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1mrd h ALA 214 CO -0.22 -0.84 0.00 -1.13 0.00 0.00 0.00 179.25 177.06 1mrd n SER 215 N -3.75 2.46 -3.86 0.00 3.41 -0.97 -4.97 113.62 105.94 1mrd n SER 215 Ca 0.11 -2.27 -0.25 0.00 -0.26 0.00 0.00 58.87 56.20 1mrd n SER 215 Cb 0.77 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1mrd n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1mrd n SER 216 N -0.40 -1.19 -4.36 4.04 7.64 0.38 -4.96 113.62 114.77 1mrd n SER 216 Ca 0.07 -0.97 -0.32 0.00 1.01 0.00 0.00 58.87 58.67 1mrd n SER 216 Cb 0.42 -3.32 -0.15 0.00 -1.01 0.00 0.00 64.21 60.14 1mrd n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1mrd s THR 217 N -3.83 2.63 -0.26 0.44 2.01 -0.24 -5.00 115.64 111.39 1mrd s THR 217 Ca 0.07 -0.85 -0.03 0.00 0.31 0.00 0.00 61.69 61.19 1mrd s THR 217 Cb -0.02 -2.03 0.11 0.00 0.01 0.00 0.00 72.50 70.57 1mrd s THR 217 CO 0.87 0.56 0.22 -0.89 -0.69 0.00 0.00 174.62 174.69 1mrd s THR 218 N -0.20 -0.27 -0.07 -0.82 2.01 -1.25 0.03 115.64 115.06 1mrd s THR 218 Ca -0.01 -0.47 0.03 0.00 0.31 0.00 0.00 61.69 61.55 1mrd s THR 218 Cb -0.13 -0.89 -0.02 0.00 0.01 0.00 0.00 72.50 71.46 1mrd s THR 218 CO 0.03 -0.48 -0.14 -0.69 -0.69 0.00 0.00 174.62 172.65 1mrd s VAL 219 N 2.26 3.03 0.06 3.82 1.01 -0.18 -4.96 120.40 125.45 1mrd s VAL 219 Ca 0.08 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.40 1mrd s VAL 219 Cb -0.15 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1mrd s VAL 219 CO -0.28 0.57 -0.09 -1.81 0.00 0.00 0.00 175.10 173.49 1mrd s ASP 220 N -0.39 4.42 -0.07 3.32 1.01 -1.26 -0.61 116.67 123.10 1mrd s ASP 220 Ca 0.04 -0.30 -0.01 0.00 0.71 0.00 0.00 52.55 52.99 1mrd s ASP 220 Cb -0.12 -0.91 0.03 0.00 1.01 0.00 0.00 42.92 42.93 1mrd s ASP 220 CO 0.02 0.22 -0.00 -0.75 0.21 0.00 0.00 175.17 174.87 1mrd s LYS 221 N -1.85 0.64 0.09 8.23 2.47 -0.63 -4.98 119.74 123.71 1mrd s LYS 221 Ca 0.19 0.08 -0.25 0.00 -1.56 0.00 0.00 55.97 54.43 1mrd s LYS 221 Cb -0.11 -0.96 -0.06 0.00 -1.46 0.00 0.00 37.83 35.23 1mrd s LYS 221 CO 0.11 -0.28 0.78 0.21 0.16 0.00 0.00 175.35 176.32 1mrd s LYS 222 N 1.86 4.52 -0.49 4.03 2.20 -1.26 -1.68 119.74 128.92 1mrd s LYS 222 Ca 0.03 1.11 -0.17 0.00 -0.36 0.00 0.00 55.97 56.58 1mrd s LYS 222 Cb -0.12 -3.33 0.07 0.00 -1.51 0.00 0.00 37.83 32.94 1mrd s LYS 222 CO -0.05 0.38 0.48 -0.51 -0.36 0.00 0.00 175.35 175.29 1mrd s LEU 223 N -0.41 5.40 0.11 5.43 1.02 -0.47 -4.97 118.68 124.79 1mrd s LEU 223 Ca 0.38 -1.19 0.05 0.00 0.02 0.00 0.00 54.13 53.39 1mrd s LEU 223 Cb -0.21 -2.28 -0.04 0.00 0.02 0.00 0.00 46.19 43.68 1mrd s LEU 223 CO 0.24 -0.75 0.00 -1.61 0.02 0.00 0.00 176.35 174.26 1mrd s GLU 226 N 2.01 2.52 0.00 1.70 2.02 -1.26 -4.47 118.70 121.21 1mrd s GLU 226 Ca 0.08 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.17 1mrd s GLU 226 Cb -0.23 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.50 1mrd s GLU 226 CO 0.08 0.52 0.47 -0.35 0.02 0.00 0.00 175.26 176.00