#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fic n ARG 3 N 0.00 -0.99 0.00 1.61 -4.01 -1.26 -4.20 116.66 107.81 3fic n ARG 3 Ca 0.00 0.01 0.00 0.00 -1.04 0.00 0.00 57.85 56.82 3fic n ARG 3 Cb 0.00 -0.21 0.00 0.00 -3.04 0.00 0.00 32.46 29.21 3fic n ARG 3 CO 0.00 0.00 0.00 0.98 -3.04 0.00 0.00 177.63 175.57 3fic n TYR 4 N -0.97 0.00 -0.19 2.89 9.36 -1.26 -4.87 117.16 122.13 3fic n TYR 4 Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 3fic n TYR 4 Cb 0.03 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.74 3fic n TYR 4 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 3fic n ILE 5 N 0.00 -0.80 0.00 2.97 5.41 -1.26 -5.11 119.36 120.57 3fic n ILE 5 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3fic n ILE 5 Cb 0.00 -0.80 0.00 0.00 -0.71 0.00 0.00 39.64 38.13 3fic n ILE 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3fic n GLY 6 N 1.69 0.47 3.56 7.39 0.00 -1.26 -5.06 105.19 111.98 3fic n GLY 6 Ca 0.00 -2.28 -0.56 0.00 0.00 0.00 0.00 46.02 43.18 3fic n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fic n PRO 7 N -0.35 0.60 0.01 1.61 -0.02 -1.26 -4.91 135.00 130.69 3fic n PRO 7 Ca 0.00 0.22 -0.01 0.00 -2.02 0.00 0.00 63.50 61.68 3fic n PRO 7 Cb 0.00 -1.79 -0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3fic n PRO 7 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3fic n VAL 8 N 2.17 0.56 -1.27 -1.45 0.24 -1.26 -4.65 118.33 112.67 3fic n VAL 8 Ca 0.20 0.14 -0.42 0.00 -2.04 0.00 0.00 64.34 62.22 3fic n VAL 8 Cb 0.13 -1.57 -0.04 0.00 -1.47 0.00 0.00 33.84 30.89 3fic n VAL 8 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fic n ARG 10 N 6.64 0.02 0.00 0.00 0.63 -1.26 -4.74 116.66 117.95 3fic n ARG 10 Ca 0.50 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.43 3fic n ARG 10 Cb 0.39 -0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.30 3fic n ARG 10 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3fic n LEU 11 N 0.00 1.53 0.13 6.15 4.77 0.43 -4.10 117.00 125.91 3fic n LEU 11 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 3fic n LEU 11 Cb 0.00 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.26 3fic n LEU 11 CO 0.00 0.26 0.72 0.00 -1.33 0.00 0.00 177.39 177.03 3fic n ARG 13 N -1.76 3.43 0.00 0.00 1.74 -1.26 -4.35 116.66 114.47 3fic n ARG 13 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3fic n ARG 13 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 3fic n ARG 13 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3fic n ARG 14 N 0.00 0.00 0.15 5.56 3.00 -1.25 -1.22 116.66 122.89 3fic n ARG 14 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 3fic n ARG 14 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 32.46 32.76 3fic n ARG 14 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3fic h GLU 15 N 0.00 0.00 0.00 -0.14 3.07 -1.90 -3.44 114.58 112.17 3fic h GLU 15 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3fic h GLU 15 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3fic h GLU 15 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 3fic n GLY 16 N -1.53 2.09 3.70 -3.84 0.00 -0.36 -4.89 105.19 100.36 3fic n GLY 16 Ca 0.07 -0.08 -0.56 0.00 0.00 0.00 0.00 46.02 45.45 3fic n GLY 16 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3fic n VAL 17 N 0.00 0.34 -2.01 1.61 0.31 -1.26 -4.74 118.33 112.58 3fic n VAL 17 Ca 0.00 -0.07 -0.42 0.00 -0.01 0.00 0.00 64.34 63.84 3fic n VAL 17 Cb 0.00 -1.32 -0.03 0.00 -0.91 0.00 0.00 33.84 31.58 3fic n VAL 17 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3fic s LYS 18 N 3.75 4.21 0.07 5.55 2.20 -1.26 -4.78 119.74 129.48 3fic s LYS 18 Ca 0.98 2.22 0.06 0.00 -0.36 0.00 0.00 55.97 58.88 3fic s LYS 18 Cb -1.02 -3.69 -0.03 0.00 -1.51 0.00 0.00 37.83 31.58 3fic s LYS 18 CO 0.64 -0.73 -0.18 -0.48 -0.36 0.00 0.00 175.35 174.24 3fic s LEU 19 N 2.93 2.24 -0.40 5.43 0.05 -1.26 -5.01 118.68 122.66 3fic s LEU 19 Ca 0.72 -0.58 -0.19 0.00 0.05 0.00 0.00 54.13 54.13 3fic s LEU 19 Cb -0.37 -0.75 0.01 0.00 -2.05 0.00 0.00 46.19 43.04 3fic s LEU 19 CO 0.30 0.04 0.53 -0.31 -0.55 0.00 0.00 176.35 176.37 3fic s TYR 20 N -1.04 3.14 -0.03 3.48 1.51 -1.26 -4.69 117.35 118.47 3fic s TYR 20 Ca 0.03 -0.07 0.07 0.00 -1.01 0.00 0.00 57.07 56.09 3fic s TYR 20 Cb -0.09 -3.06 -0.11 0.00 -0.11 0.00 0.00 41.96 38.59 3fic s TYR 20 CO 0.03 -0.70 0.13 1.28 -1.11 0.00 0.00 175.55 175.17 3fic n LEU 21 N 5.88 0.00 -0.05 -1.29 4.77 -1.26 -4.69 117.00 120.36 3fic n LEU 21 Ca -0.04 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.92 3fic n LEU 21 Cb 0.48 0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.50 3fic n LEU 21 CO 0.48 0.04 -0.85 0.29 -1.33 0.00 0.00 177.39 176.02 3fic n LYS 22 N -1.89 1.22 0.00 3.23 5.02 -1.26 -4.66 118.16 119.83 3fic n LYS 22 Ca -0.04 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 3fic n LYS 22 Cb 0.33 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 3fic n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fic n GLY 23 N 1.94 1.57 0.25 0.72 0.00 -1.26 -4.46 105.19 103.95 3fic n GLY 23 Ca -0.15 -0.39 -0.07 0.00 0.00 0.00 0.00 46.02 45.42 3fic n GLY 23 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3fic n GLU 24 N 0.21 -0.26 -0.16 1.61 0.00 -1.26 0.24 120.64 121.02 3fic n GLU 24 Ca 0.00 0.94 -0.11 0.00 0.00 0.00 0.00 57.16 57.99 3fic n GLU 24 Cb 0.00 -1.38 0.01 0.00 0.00 0.00 0.00 31.44 30.07 3fic n GLU 24 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3fic h ARG 25 N 0.00 0.99 -1.82 5.31 2.43 -1.99 -2.94 114.38 116.37 3fic h ARG 25 Ca 0.09 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 3fic h ARG 25 Cb 0.24 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3fic h ARG 25 CO -0.56 1.09 0.00 0.00 -1.51 0.00 0.00 179.97 178.99 3fic n TYR 27 N 1.22 0.00 -0.30 0.00 4.02 -1.11 -4.83 117.16 116.15 3fic n TYR 27 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.62 3fic n TYR 27 Cb 0.14 0.00 0.26 0.00 -0.02 0.00 0.00 39.34 39.72 3fic n TYR 27 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3fic n SER 28 N -0.18 -3.86 -2.58 7.72 7.64 0.25 -4.78 113.62 117.82 3fic n SER 28 Ca 0.00 -0.74 -0.30 0.00 1.01 0.00 0.00 58.87 58.84 3fic n SER 28 Cb 0.00 -0.94 -0.03 0.00 -1.01 0.00 0.00 64.21 62.23 3fic n SER 28 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3fic n PRO 29 N -4.73 2.48 -2.56 1.43 -0.04 -1.26 -4.33 135.00 125.99 3fic n PRO 29 Ca 0.12 -2.63 -0.04 0.00 -0.04 0.00 0.00 63.50 60.90 3fic n PRO 29 Cb 0.52 -2.17 0.08 0.00 -0.04 0.00 0.00 33.50 31.90 3fic n PRO 29 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3fic n LYS 30 N 0.50 0.91 0.00 0.54 2.85 -1.26 -4.87 118.16 116.83 3fic n LYS 30 Ca 0.50 -1.23 0.03 0.00 -1.05 0.00 0.00 58.31 56.55 3fic n LYS 30 Cb 0.47 0.10 0.15 0.00 -0.65 0.00 0.00 35.03 35.10 3fic n LYS 30 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3fic n ALA 32 N -0.62 0.00 -0.05 0.00 0.00 -1.26 -4.46 120.51 114.11 3fic n ALA 32 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 3fic n ALA 32 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.44 3fic n ALA 32 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3fic h MET 33 N 0.13 0.80 0.00 0.00 1.85 -1.85 5.97 114.93 121.82 3fic h MET 33 Ca 0.00 -0.52 0.00 0.00 -0.61 0.00 0.00 59.70 58.57 3fic h MET 33 Cb 0.00 0.07 0.00 0.00 0.43 0.00 0.00 31.60 32.10 3fic h MET 33 CO 0.00 1.15 0.00 -1.91 -0.40 0.00 0.00 176.91 175.75 3fic n GLU 34 N -3.98 0.09 -0.05 0.39 4.07 -1.26 -2.93 120.64 116.96 3fic n GLU 34 Ca -0.04 0.31 -0.05 0.00 -0.06 0.00 0.00 57.16 57.32 3fic n GLU 34 Cb 0.64 -1.66 -0.06 0.00 -0.06 0.00 0.00 31.44 30.30 3fic n GLU 34 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3fic n ARG 35 N -1.82 1.78 -3.76 5.31 1.74 -0.38 -4.90 116.66 114.63 3fic n ARG 35 Ca 0.03 0.02 -0.30 0.00 -0.77 0.00 0.00 57.85 56.83 3fic n ARG 35 Cb 0.21 -1.22 -0.15 0.00 -1.02 0.00 0.00 32.46 30.28 3fic n ARG 35 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3fic s ARG 36 N -2.21 0.87 0.00 5.56 3.00 1.92 -4.99 118.95 123.10 3fic s ARG 36 Ca -0.08 -1.29 0.05 0.00 0.00 0.00 0.00 55.73 54.42 3fic s ARG 36 Cb 0.03 -2.16 0.32 0.00 0.00 0.00 0.00 34.95 33.14 3fic s ARG 36 CO 0.31 -1.01 1.01 -0.35 0.00 0.00 0.00 175.30 175.26 3fic n PRO 37 N 4.60 0.78 -4.38 3.54 -0.04 -1.19 -4.10 135.00 134.20 3fic n PRO 37 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 3fic n PRO 37 Cb 0.41 -1.11 -0.12 0.00 -0.04 0.00 0.00 33.50 32.64 3fic n PRO 37 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3fic s TYR 38 N -2.00 2.20 0.39 0.54 -0.85 -1.26 -4.95 117.35 111.42 3fic s TYR 38 Ca 0.08 -0.38 -0.26 0.00 -0.52 0.00 0.00 57.07 55.99 3fic s TYR 38 Cb 0.04 -1.16 -0.11 0.00 0.38 0.00 0.00 41.96 41.11 3fic s TYR 38 CO 0.06 0.37 1.12 -2.30 -1.52 0.00 0.00 175.55 173.28 3fic n PRO 39 N 0.72 1.63 -0.56 -3.49 -0.02 -1.26 -4.55 135.00 127.46 3fic n PRO 39 Ca -0.16 0.58 -0.30 0.00 -2.02 0.00 0.00 63.50 61.60 3fic n PRO 39 Cb 0.54 -2.14 0.22 0.00 -0.02 0.00 0.00 33.50 32.10 3fic n PRO 39 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3fic n PRO 40 N 0.28 -1.70 0.00 0.52 -0.04 -1.26 -4.08 135.00 128.72 3fic n PRO 40 Ca 0.08 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.08 3fic n PRO 40 Cb 0.38 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 3fic n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fic n GLY 41 N 0.88 2.18 0.46 0.55 0.00 -1.26 -4.04 105.19 103.96 3fic n GLY 41 Ca 0.06 -1.91 0.28 0.00 0.00 0.00 0.00 46.02 44.44 3fic n GLY 41 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3fic h GLN 42 N 0.00 0.19 0.00 1.61 4.15 -2.04 -3.30 115.11 115.72 3fic h GLN 42 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3fic h GLN 42 Cb 0.00 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.65 3fic h GLN 42 CO 0.00 0.13 0.00 0.72 -1.93 0.00 0.00 178.83 177.75 3fic n HIS 43 N -4.42 0.00 0.00 3.99 8.25 -1.26 -4.80 115.22 116.98 3fic n HIS 43 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 3fic n HIS 43 Cb 1.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.12 3fic n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fic n GLY 44 N 2.85 -0.17 2.81 -1.41 0.00 -1.24 -4.07 105.19 103.96 3fic n GLY 44 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3fic n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fic n GLN 45 N 0.00 3.52 -3.85 1.61 10.64 -1.26 -4.52 117.38 123.52 3fic n GLN 45 Ca 0.00 -3.32 -0.11 0.00 -1.83 0.00 0.00 57.00 51.74 3fic n GLN 45 Cb 0.00 -2.98 -0.09 0.00 -0.86 0.00 0.00 30.24 26.31 3fic n GLN 45 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 3fic s LYS 46 N 0.88 0.65 -0.43 2.61 1.02 -1.26 -5.09 119.74 118.11 3fic s LYS 46 Ca 0.42 -0.57 -0.43 0.00 0.02 0.00 0.00 55.97 55.41 3fic s LYS 46 Cb 0.11 0.27 -0.18 0.00 -0.52 0.00 0.00 37.83 37.52 3fic s LYS 46 CO -0.02 -0.18 1.91 -2.13 -0.92 0.00 0.00 175.35 174.01 3fic n ARG 47 N 0.86 0.39 -3.53 1.68 0.63 -1.26 -4.88 116.66 110.55 3fic n ARG 47 Ca -0.20 0.13 -0.37 0.00 -0.92 0.00 0.00 57.85 56.49 3fic n ARG 47 Cb 0.58 -1.76 -0.08 0.00 0.45 0.00 0.00 32.46 31.65 3fic n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fic s ALA 48 N 4.80 3.59 0.68 5.13 0.00 -1.26 -5.07 121.76 129.63 3fic s ALA 48 Ca 1.10 -0.62 -0.16 0.00 0.00 0.00 0.00 51.96 52.28 3fic s ALA 48 Cb -1.32 -2.45 0.01 0.00 0.00 0.00 0.00 23.12 19.36 3fic s ALA 48 CO 0.68 -0.13 1.20 1.03 0.00 0.00 0.00 175.76 178.55 3fic s ARG 49 N 0.94 2.47 -0.22 0.00 1.81 -1.26 -4.89 118.95 117.80 3fic s ARG 49 Ca 0.14 1.75 -0.28 0.00 -1.72 0.00 0.00 55.73 55.62 3fic s ARG 49 Cb -0.14 -1.87 -0.05 0.00 -0.45 0.00 0.00 34.95 32.44 3fic s ARG 49 CO 0.05 -1.58 2.22 -2.13 -0.68 0.00 0.00 175.30 173.18 3fic n ARG 50 N -2.34 1.96 -1.66 3.54 0.00 -1.26 -4.90 116.66 112.01 3fic n ARG 50 Ca 0.13 0.54 -0.45 0.00 -0.00 0.00 0.00 57.85 58.07 3fic n ARG 50 Cb 0.50 -3.23 -0.02 0.00 0.00 0.00 0.00 32.46 29.71 3fic n ARG 50 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3fic n PRO 51 N 8.74 1.91 -2.24 -0.14 -0.02 -1.26 -4.93 135.00 137.06 3fic n PRO 51 Ca 0.30 0.68 -0.37 0.00 -2.02 0.00 0.00 63.50 62.09 3fic n PRO 51 Cb 0.44 -2.29 -0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3fic n PRO 51 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3fic s SER 52 N 0.10 6.03 0.00 2.55 1.04 -1.26 -4.78 113.70 117.38 3fic s SER 52 Ca 0.66 2.29 0.00 0.00 0.48 0.00 0.00 55.95 59.38 3fic s SER 52 Cb -0.66 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 62.86 3fic s SER 52 CO 0.53 -1.01 0.50 0.47 0.98 0.00 0.00 173.24 174.71 3fic n ASP 53 N -0.69 0.00 -0.13 7.02 9.92 -1.26 0.74 116.55 132.15 3fic n ASP 53 Ca 0.08 0.10 -0.24 0.00 -0.53 0.00 0.00 54.79 54.20 3fic n ASP 53 Cb 0.49 -0.10 -0.11 0.00 -0.64 0.00 0.00 41.12 40.76 3fic n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3fic n TYR 54 N -1.00 0.11 -0.28 1.24 9.36 -1.26 -3.96 117.16 121.37 3fic n TYR 54 Ca 0.00 0.03 0.04 0.00 3.32 0.00 0.00 57.90 61.30 3fic n TYR 54 Cb 0.28 -1.01 0.18 0.00 -0.63 0.00 0.00 39.34 38.16 3fic n TYR 54 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3fic h ALA 55 N -0.46 1.14 -1.85 2.98 0.00 -0.01 0.21 119.26 121.28 3fic h ALA 55 Ca -0.62 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3fic h ALA 55 Cb 1.76 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.51 3fic h ALA 55 CO -0.23 -0.05 0.00 0.28 0.00 0.00 0.00 179.25 179.24 3fic n VAL 56 N -4.86 0.00 -0.33 0.00 0.31 -0.92 0.57 118.33 113.11 3fic n VAL 56 Ca 0.14 1.19 0.33 0.00 -0.01 0.00 0.00 64.34 66.00 3fic n VAL 56 Cb 0.35 -2.08 0.51 0.00 -0.91 0.00 0.00 33.84 31.72 3fic n VAL 56 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3fic n ARG 57 N -1.24 0.01 0.00 5.55 1.74 -1.07 -1.17 116.66 120.48 3fic n ARG 57 Ca 0.00 1.02 0.00 0.00 -0.77 0.00 0.00 57.85 58.10 3fic n ARG 57 Cb 0.00 -2.49 0.00 0.00 -1.02 0.00 0.00 32.46 28.95 3fic n ARG 57 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3fic n LEU 58 N -3.36 1.01 -0.58 0.55 -0.00 0.04 -3.51 117.00 111.15 3fic n LEU 58 Ca 0.28 0.33 0.46 0.00 -0.00 0.00 0.00 56.01 57.08 3fic n LEU 58 Cb 1.62 -0.33 0.75 0.00 -0.00 0.00 0.00 43.42 45.46 3fic n LEU 58 CO 0.28 -0.33 1.35 0.03 -0.00 0.00 0.00 177.39 178.72 3fic h ARG 59 N 0.00 0.01 0.55 1.96 2.47 0.17 0.39 114.38 119.92 3fic h ARG 59 Ca 0.00 -0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 3fic h ARG 59 Cb 0.00 -0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.32 3fic h ARG 59 CO 0.00 0.00 -0.27 1.49 0.56 0.00 0.00 179.97 181.76 3fic h GLU 60 N 0.01 -0.72 -0.36 0.04 4.57 -1.44 -2.19 114.58 114.50 3fic h GLU 60 Ca 0.90 0.05 0.04 0.00 -1.18 0.00 0.00 59.36 59.17 3fic h GLU 60 Cb 3.25 0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 31.95 3fic h GLU 60 CO -0.26 -0.48 -0.32 -0.22 -1.18 0.00 0.00 179.01 176.56 3fic h LYS 61 N -1.01 -0.13 -1.39 1.92 3.64 -0.31 0.45 116.57 119.74 3fic h LYS 61 Ca -0.08 0.01 0.42 0.00 -1.27 0.00 0.00 60.65 59.74 3fic h LYS 61 Cb 0.57 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.32 3fic h LYS 61 CO 0.12 -0.09 0.95 1.96 -2.27 0.00 0.00 179.45 180.13 3fic h GLN 62 N -0.13 0.09 0.00 1.90 1.08 -1.38 -1.31 115.11 115.36 3fic h GLN 62 Ca 0.06 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3fic h GLN 62 Cb 0.29 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3fic h GLN 62 CO -0.40 0.06 0.00 1.17 -0.95 0.00 0.00 178.83 178.71 3fic n LYS 63 N -4.43 0.00 -0.20 1.46 4.81 0.15 -1.03 118.16 118.92 3fic n LYS 63 Ca 0.35 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.82 3fic n LYS 63 Cb 1.44 -0.80 0.08 0.00 0.02 0.00 0.00 35.03 35.77 3fic n LYS 63 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3fic n LEU 64 N -0.34 -0.20 0.14 3.14 7.94 -0.85 0.12 117.00 126.94 3fic n LEU 64 Ca 0.00 0.97 -0.14 0.00 -1.11 0.00 0.00 56.01 55.73 3fic n LEU 64 Cb 0.00 -0.29 -0.07 0.00 0.53 0.00 0.00 43.42 43.59 3fic n LEU 64 CO 0.00 -0.93 0.80 -0.09 -1.11 0.00 0.00 177.39 176.06 3fic h ARG 65 N 0.00 -0.27 -0.19 1.96 2.43 -1.31 -2.17 114.38 114.82 3fic h ARG 65 Ca 0.27 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.51 3fic h ARG 65 Cb 0.41 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 3fic h ARG 65 CO -0.58 -0.18 0.14 0.00 -1.51 0.00 0.00 179.97 177.84 3fic h ARG 66 N -0.28 0.00 0.10 0.20 3.08 0.27 -1.86 114.38 115.89 3fic h ARG 66 Ca -0.02 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.05 3fic h ARG 66 Cb 0.23 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 3fic h ARG 66 CO 0.03 0.00 -0.40 0.82 -1.07 0.00 0.00 179.97 179.35 3fic h ILE 67 N 0.00 0.19 0.00 2.04 2.04 -0.52 -1.74 117.51 119.51 3fic h ILE 67 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.95 3fic h ILE 67 Cb 0.38 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3fic h ILE 67 CO -0.00 0.00 0.00 -1.22 0.00 0.00 0.00 178.15 176.93 3fic n TYR 68 N -5.46 0.00 -3.59 1.37 4.02 -0.87 -4.94 117.16 107.69 3fic n TYR 68 Ca -0.07 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.59 3fic n TYR 68 Cb 0.37 -0.16 0.02 0.00 -0.02 0.00 0.00 39.34 39.55 3fic n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fic n GLY 69 N 1.07 -1.14 2.95 2.72 0.00 -0.66 -4.97 105.19 105.17 3fic n GLY 69 Ca 0.18 0.50 -0.18 0.00 0.00 0.00 0.00 46.02 46.52 3fic n GLY 69 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3fic s ILE 70 N -3.22 0.51 0.50 -0.61 2.07 -1.24 -4.42 121.20 114.78 3fic s ILE 70 Ca 0.23 -0.22 -0.22 0.00 -1.41 0.00 0.00 60.65 59.03 3fic s ILE 70 Cb -0.09 -0.46 -0.08 0.00 0.13 0.00 0.00 42.46 41.96 3fic s ILE 70 CO 0.85 0.17 1.05 -1.54 -1.91 0.00 0.00 174.94 173.56 3fic n SER 71 N 3.27 1.36 0.00 4.50 3.41 -1.26 -4.66 113.62 120.25 3fic n SER 71 Ca -0.17 0.96 -0.11 0.00 -0.26 0.00 0.00 58.87 59.29 3fic n SER 71 Cb 0.55 -1.40 -0.04 0.00 -0.26 0.00 0.00 64.21 63.06 3fic n SER 71 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3fic h GLU 72 N 1.23 -0.40 -0.38 4.33 4.57 -1.99 0.78 114.58 122.72 3fic h GLU 72 Ca -0.47 0.03 0.03 0.00 -1.18 0.00 0.00 59.36 57.77 3fic h GLU 72 Cb 1.34 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.97 3fic h GLU 72 CO 0.55 -0.27 -0.23 -0.09 -1.18 0.00 0.00 179.01 177.80 3fic h ARG 73 N -0.41 -0.00 -0.27 1.92 9.65 -1.99 1.03 114.38 124.31 3fic h ARG 73 Ca 0.09 0.00 0.06 0.00 -1.10 0.00 0.00 59.98 59.03 3fic h ARG 73 Cb 0.56 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.09 3fic h ARG 73 CO -0.36 -0.00 -0.08 1.96 2.80 0.00 0.00 179.97 184.28 3fic h GLN 74 N -0.00 -0.03 0.00 0.20 4.20 -1.72 -0.88 115.11 116.88 3fic h GLN 74 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3fic h GLN 74 Cb 0.16 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3fic h GLN 74 CO -0.36 -0.02 0.00 0.34 -0.67 0.00 0.00 178.83 178.12 3fic n PHE 75 N -5.25 0.00 -0.33 2.96 7.35 0.26 -2.24 117.46 120.21 3fic n PHE 75 Ca -0.01 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.64 3fic n PHE 75 Cb 0.17 -0.38 -0.02 0.00 0.35 0.00 0.00 39.48 39.61 3fic n PHE 75 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 3fic n ARG 76 N -2.15 -0.27 -0.31 -4.13 3.00 0.34 0.14 116.66 113.28 3fic n ARG 76 Ca 0.00 1.26 0.13 0.00 -0.00 0.00 0.00 57.85 59.24 3fic n ARG 76 Cb 0.00 -1.86 0.31 0.00 0.00 0.00 0.00 32.46 30.91 3fic n ARG 76 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 3fic h ASN 77 N 0.00 0.33 0.82 6.15 2.35 -0.79 -0.11 115.58 124.33 3fic h ASN 77 Ca 0.22 0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 56.08 3fic h ASN 77 Cb 0.42 0.14 0.01 0.00 0.05 0.00 0.00 38.32 38.94 3fic h ASN 77 CO -0.80 -0.01 -0.39 -0.07 -1.65 0.00 0.00 177.43 174.51 3fic h LEU 78 N 0.40 -0.93 -0.56 1.61 3.38 0.16 -1.18 115.31 118.17 3fic h LEU 78 Ca 0.56 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.62 3fic h LEU 78 Cb 1.07 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 42.00 3fic h LEU 78 CO -0.53 -0.64 -0.33 0.33 0.09 0.00 0.00 178.44 177.36 3fic n PHE 79 N -5.14 -0.25 -0.03 1.13 7.35 -0.44 0.60 117.46 120.68 3fic n PHE 79 Ca -0.14 0.71 -0.04 0.00 -0.76 0.00 0.00 57.45 57.22 3fic n PHE 79 Cb 0.44 -0.53 -0.03 0.00 0.35 0.00 0.00 39.48 39.71 3fic n PHE 79 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3fic h GLU 80 N 0.00 -0.12 -0.86 -4.13 4.39 -1.03 0.89 114.58 113.72 3fic h GLU 80 Ca 0.09 0.01 0.22 0.00 0.34 0.00 0.00 59.36 60.02 3fic h GLU 80 Cb 0.23 0.03 -0.16 0.00 -0.10 0.00 0.00 28.75 28.75 3fic h GLU 80 CO -0.53 -0.08 -0.05 -1.91 -1.16 0.00 0.00 179.01 175.28 3fic n GLU 81 N -3.48 -0.07 -0.15 2.33 2.13 0.08 0.23 120.64 121.71 3fic n GLU 81 Ca -0.01 1.31 -0.09 0.00 0.66 0.00 0.00 57.16 59.03 3fic n GLU 81 Cb 0.10 -2.05 0.00 0.00 0.27 0.00 0.00 31.44 29.77 3fic n GLU 81 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3fic h ALA 82 N 1.73 0.58 0.00 4.31 0.00 0.25 0.14 119.26 126.27 3fic h ALA 82 Ca 0.50 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 3fic h ALA 82 Cb 0.96 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3fic h ALA 82 CO -0.83 0.20 -0.02 0.77 0.00 0.00 0.00 179.25 179.36 3fic h SER 83 N 0.57 0.00 0.02 0.00 0.02 1.01 -2.92 113.55 112.26 3fic h SER 83 Ca 0.15 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3fic h SER 83 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3fic h SER 83 CO -0.01 0.02 -0.01 0.11 -1.14 0.00 0.00 176.83 175.80 3fic h LYS 84 N 0.00 -0.03 -6.59 3.45 1.79 0.99 -3.46 116.57 112.72 3fic h LYS 84 Ca -0.00 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.91 3fic h LYS 84 Cb 0.04 0.01 0.07 0.00 -1.58 0.00 0.00 32.23 30.76 3fic h LYS 84 CO 0.00 0.71 0.82 1.17 -1.08 0.00 0.00 179.45 181.07 3fic n LYS 85 N -4.71 2.33 -1.66 3.15 4.81 0.38 -4.89 118.16 117.58 3fic n LYS 85 Ca -0.08 0.84 -0.42 0.00 -0.87 0.00 0.00 58.31 57.78 3fic n LYS 85 Cb 0.36 -2.60 0.00 0.00 0.02 0.00 0.00 35.03 32.81 3fic n LYS 85 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3fic n LYS 86 N 3.11 1.73 0.00 1.64 4.76 -1.26 -4.76 118.16 123.37 3fic n LYS 86 Ca 0.15 0.61 0.00 0.00 -2.87 0.00 0.00 58.31 56.20 3fic n LYS 86 Cb 0.32 -2.20 0.00 0.00 -1.84 0.00 0.00 35.03 31.30 3fic n LYS 86 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fic n GLY 87 N 0.96 0.03 3.56 0.72 0.00 -1.26 -4.93 105.19 104.27 3fic n GLY 87 Ca 0.07 -2.29 -0.31 0.00 0.00 0.00 0.00 46.02 43.50 3fic n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fic s VAL 88 N -0.34 3.51 0.29 1.61 1.01 -1.26 -4.85 120.40 120.36 3fic s VAL 88 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 3fic s VAL 88 Cb 0.00 -4.17 0.40 0.00 0.00 0.00 0.00 36.38 32.60 3fic s VAL 88 CO 0.00 -1.11 1.58 0.74 0.00 0.00 0.00 175.10 176.31 3fic h THR 89 N 7.10 0.08 -0.47 3.92 2.02 -1.86 -1.64 112.91 122.07 3fic h THR 89 Ca 0.05 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 67.27 3fic h THR 89 Cb 1.03 0.06 -0.06 0.00 -1.74 0.00 0.00 68.15 67.43 3fic h THR 89 CO 1.24 0.00 -0.35 1.23 0.37 0.00 0.00 175.52 178.02 3fic h GLY 90 N 0.02 -1.50 0.00 2.16 0.00 -1.93 -2.38 103.07 99.44 3fic h GLY 90 Ca 0.52 0.88 0.00 0.00 0.00 0.00 0.00 47.33 48.73 3fic h GLY 90 CO -0.90 -0.37 0.00 1.44 0.00 0.00 0.00 176.54 176.71 3fic n SER 91 N -4.36 0.00 0.00 0.19 7.64 -0.66 -3.65 113.62 112.78 3fic n SER 91 Ca -0.00 0.75 0.00 0.00 1.01 0.00 0.00 58.87 60.63 3fic n SER 91 Cb 0.18 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 3fic n SER 91 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3fic n VAL 92 N -1.35 0.00 -0.03 0.44 0.31 -0.93 -0.02 118.33 116.76 3fic n VAL 92 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 3fic n VAL 92 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 3fic n VAL 92 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 3fic n PHE 93 N -1.56 -0.03 -0.20 3.52 -0.00 -0.90 0.20 117.46 118.49 3fic n PHE 93 Ca 0.00 0.08 -0.05 0.00 -0.00 0.00 0.00 57.45 57.48 3fic n PHE 93 Cb 0.00 -0.23 0.01 0.00 -0.00 0.00 0.00 39.48 39.26 3fic n PHE 93 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 3fic h LEU 94 N 0.00 -1.10 -0.66 -2.13 3.38 -0.59 0.21 115.31 114.43 3fic h LEU 94 Ca 0.01 0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.26 3fic h LEU 94 Cb 0.03 0.55 -0.08 0.00 0.09 0.00 0.00 40.66 41.24 3fic h LEU 94 CO -0.06 -0.30 -0.45 1.23 0.09 0.00 0.00 178.44 178.96 3fic h GLY 95 N -0.16 -1.28 1.46 0.83 0.00 0.22 1.57 103.07 105.72 3fic h GLY 95 Ca 0.23 0.86 0.04 0.00 0.00 0.00 0.00 47.33 48.46 3fic h GLY 95 CO -0.66 -0.22 0.27 1.41 0.00 0.00 0.00 176.54 177.33 3fic h LEU 96 N -0.07 0.32 -0.80 3.11 -0.00 -0.92 0.42 115.31 117.36 3fic h LEU 96 Ca 0.11 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 3fic h LEU 96 Cb 0.35 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 3fic h LEU 96 CO -0.66 0.21 0.00 0.25 -0.00 0.00 0.00 178.44 178.25 3fic h LEU 97 N 0.36 0.00 0.00 1.67 6.46 0.39 -3.12 115.31 121.07 3fic h LEU 97 Ca 0.17 0.00 -0.30 0.00 -0.12 0.00 0.00 57.88 57.63 3fic h LEU 97 Cb 0.20 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.08 3fic h LEU 97 CO -0.04 0.00 -2.01 1.21 -0.62 0.00 0.00 178.44 176.98 3fic n GLU 98 N -3.08 0.66 0.00 1.25 4.07 0.46 -4.18 120.64 119.81 3fic n GLU 98 Ca 0.02 0.12 0.04 0.00 -0.06 0.00 0.00 57.16 57.28 3fic n GLU 98 Cb 0.40 -1.65 0.20 0.00 -0.06 0.00 0.00 31.44 30.34 3fic n GLU 98 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 3fic n SER 99 N -2.84 0.00 -4.71 4.31 7.64 0.98 -4.03 113.62 114.96 3fic n SER 99 Ca -0.23 0.23 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 3fic n SER 99 Cb 1.05 -0.32 -0.03 0.00 -1.01 0.00 0.00 64.21 63.89 3fic n SER 99 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3fic s ARG 100 N -2.65 4.18 0.11 1.43 0.52 -1.25 -0.55 118.95 120.74 3fic s ARG 100 Ca 0.07 2.46 -0.30 0.00 -0.52 0.00 0.00 55.73 57.44 3fic s ARG 100 Cb 0.06 -3.26 -0.11 0.00 0.52 0.00 0.00 34.95 32.16 3fic s ARG 100 CO 0.13 -0.70 1.49 1.25 0.02 0.00 0.00 175.30 177.49 3fic h LEU 101 N 7.31 -1.58 -0.97 2.53 5.85 -0.71 0.24 115.31 127.98 3fic h LEU 101 Ca -0.43 0.19 0.33 0.00 0.84 0.00 0.00 57.88 58.81 3fic h LEU 101 Cb 1.20 0.62 -0.16 0.00 0.37 0.00 0.00 40.66 42.70 3fic h LEU 101 CO 0.93 -0.41 0.39 -2.24 -0.34 0.00 0.00 178.44 176.77 3fic h ASP 102 N -0.47 0.16 0.43 1.25 2.03 -1.85 0.16 116.42 118.13 3fic h ASP 102 Ca 0.04 0.23 -0.02 0.00 -0.73 0.00 0.00 57.03 56.55 3fic h ASP 102 Cb 0.58 0.27 0.00 0.00 -0.83 0.00 0.00 39.33 39.36 3fic h ASP 102 CO -0.43 -0.28 -0.21 -1.13 -1.03 0.00 0.00 179.24 176.16 3fic h ASN 103 N 0.14 -0.49 -0.74 4.15 -1.24 -0.93 -3.02 115.58 113.45 3fic h ASN 103 Ca 0.71 0.02 0.07 0.00 0.71 0.00 0.00 56.30 57.81 3fic h ASN 103 Cb 1.67 0.13 -0.09 0.00 0.73 0.00 0.00 38.32 40.76 3fic h ASN 103 CO -0.73 -0.31 -0.43 0.52 -1.29 0.00 0.00 177.43 175.18 3fic n VAL 104 N -3.74 -0.50 0.10 2.57 0.31 0.32 0.20 118.33 117.59 3fic n VAL 104 Ca -0.07 2.17 0.03 0.00 -0.01 0.00 0.00 64.34 66.46 3fic n VAL 104 Cb 0.23 -2.72 0.14 0.00 -0.91 0.00 0.00 33.84 30.57 3fic n VAL 104 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3fic n VAL 105 N -4.66 0.51 -0.10 2.52 0.31 0.22 0.42 118.33 117.55 3fic n VAL 105 Ca 0.01 0.65 -0.19 0.00 -0.01 0.00 0.00 64.34 64.81 3fic n VAL 105 Cb 0.19 -1.65 -0.09 0.00 -0.91 0.00 0.00 33.84 31.38 3fic n VAL 105 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fic n TYR 106 N -1.65 0.79 -0.04 3.52 9.36 0.54 -2.44 117.16 127.24 3fic n TYR 106 Ca -0.00 0.34 0.02 0.00 3.32 0.00 0.00 57.90 61.58 3fic n TYR 106 Cb 0.42 -0.99 0.34 0.00 -0.63 0.00 0.00 39.34 38.48 3fic n TYR 106 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3fic h ARG 107 N -1.00 0.63 -0.26 2.98 3.08 0.60 0.12 114.38 120.53 3fic h ARG 107 Ca -0.31 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.66 3fic h ARG 107 Cb 1.17 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.09 3fic h ARG 107 CO -0.19 0.50 0.00 1.28 -1.07 0.00 0.00 179.97 180.49 3fic n LEU 108 N -4.39 0.26 0.00 3.04 4.32 0.17 -4.82 117.00 115.58 3fic n LEU 108 Ca 0.03 -0.13 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 3fic n LEU 108 Cb 0.13 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.79 3fic n LEU 108 CO 0.37 0.07 0.00 0.61 -1.22 0.00 0.00 177.39 177.21 3fic n GLY 109 N 0.18 1.92 0.41 -0.72 0.00 0.41 -4.81 105.19 102.58 3fic n GLY 109 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 3fic n GLY 109 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3fic h PHE 110 N 0.00 0.00 -4.33 1.61 -1.00 -1.73 -3.39 116.94 108.10 3fic h PHE 110 Ca 0.00 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.22 3fic h PHE 110 Cb 0.00 0.00 -0.29 0.00 3.61 0.00 0.00 35.95 39.27 3fic h PHE 110 CO 0.00 0.00 -0.84 0.00 -1.61 0.00 0.00 178.31 175.86 3fic s ALA 111 N -4.33 1.50 -0.93 2.45 0.00 -1.02 -4.79 121.76 114.64 3fic s ALA 111 Ca -0.03 -0.78 0.20 0.00 0.00 0.00 0.00 51.96 51.36 3fic s ALA 111 Cb 0.11 -0.39 0.83 0.00 0.00 0.00 0.00 23.12 23.67 3fic s ALA 111 CO 0.36 0.37 1.63 1.55 0.00 0.00 0.00 175.76 179.66 3fic n VAL 112 N 2.65 0.69 -3.55 0.00 3.14 -1.26 -4.76 118.33 115.25 3fic n VAL 112 Ca -0.15 0.15 -0.09 0.00 -2.96 0.00 0.00 64.34 61.29 3fic n VAL 112 Cb 0.54 -0.86 -0.04 0.00 -1.06 0.00 0.00 33.84 32.42 3fic n VAL 112 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3fic s SER 113 N -3.20 -0.36 0.21 6.55 1.04 -1.26 -4.26 113.70 112.41 3fic s SER 113 Ca 0.09 0.22 -0.09 0.00 0.48 0.00 0.00 55.95 56.65 3fic s SER 113 Cb 0.12 0.33 0.27 0.00 0.10 0.00 0.00 66.02 66.84 3fic s SER 113 CO 0.37 -0.46 1.79 0.03 0.98 0.00 0.00 173.24 175.95 3fic h ARG 114 N 2.31 0.61 -0.47 4.02 3.08 -1.87 0.14 114.38 122.19 3fic h ARG 114 Ca -0.19 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 59.89 3fic h ARG 114 Cb 1.19 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 31.05 3fic h ARG 114 CO 0.31 0.40 0.14 0.00 -1.07 0.00 0.00 179.97 179.75 3fic h ARG 115 N 0.63 0.28 -0.71 0.04 3.08 -1.93 0.07 114.38 115.83 3fic h ARG 115 Ca 0.31 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.29 3fic h ARG 115 Cb 0.26 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 3fic h ARG 115 CO -0.22 0.19 0.22 0.37 -1.07 0.00 0.00 179.97 179.46 3fic h GLN 116 N 0.29 1.10 -0.38 0.04 4.15 -1.73 -2.95 115.11 115.63 3fic h GLN 116 Ca 0.23 -0.24 0.05 0.00 0.77 0.00 0.00 58.65 59.46 3fic h GLN 116 Cb 0.26 -0.16 -0.08 0.00 0.21 0.00 0.00 27.48 27.71 3fic h GLN 116 CO -0.26 0.95 -0.55 0.00 -1.93 0.00 0.00 178.83 177.03 3fic h ALA 117 N 1.11 -0.78 -0.00 3.38 0.00 0.12 -2.32 119.26 120.76 3fic h ALA 117 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3fic h ALA 117 Cb 0.30 1.11 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3fic h ALA 117 CO -0.01 -1.05 0.00 -2.13 0.00 0.00 0.00 179.25 176.06 3fic n ARG 118 N -5.38 0.00 -0.20 0.00 0.63 -0.62 -0.72 116.66 110.37 3fic n ARG 118 Ca -0.04 0.96 -0.05 0.00 -0.92 0.00 0.00 57.85 57.80 3fic n ARG 118 Cb 0.35 -1.43 -0.05 0.00 0.45 0.00 0.00 32.46 31.78 3fic n ARG 118 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 3fic n GLN 119 N -2.95 -0.21 -0.04 -0.14 7.27 -0.92 0.71 117.38 121.10 3fic n GLN 119 Ca 0.00 0.86 -0.10 0.00 0.07 0.00 0.00 57.00 57.84 3fic n GLN 119 Cb 0.00 -1.27 -0.03 0.00 2.41 0.00 0.00 30.24 31.34 3fic n GLN 119 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 3fic h LEU 120 N 0.00 -0.99 -0.76 1.69 3.38 -0.61 0.68 115.31 118.70 3fic h LEU 120 Ca 0.08 0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.28 3fic h LEU 120 Cb 0.19 0.44 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 3fic h LEU 120 CO -0.45 -0.34 0.43 0.58 0.09 0.00 0.00 178.44 178.76 3fic h VAL 121 N -0.34 0.95 -0.20 1.22 2.07 0.21 -2.50 116.25 117.66 3fic h VAL 121 Ca 0.12 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3fic h VAL 121 Cb 0.53 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3fic h VAL 121 CO -0.40 0.14 0.06 -0.09 0.02 0.00 0.00 177.57 177.30 3fic h ARG 122 N 0.76 0.31 0.00 1.57 1.12 0.21 -2.88 114.38 115.47 3fic h ARG 122 Ca 0.35 -0.07 0.00 0.00 -1.11 0.00 0.00 59.98 59.15 3fic h ARG 122 Cb 0.26 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.18 3fic h ARG 122 CO -0.21 0.41 0.00 0.72 -3.11 0.00 0.00 179.97 177.78 3fic n HIS 123 N -4.79 0.00 -0.92 2.20 8.25 0.22 -4.71 115.22 115.46 3fic n HIS 123 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 3fic n HIS 123 Cb 0.15 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.26 3fic n HIS 123 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fic n GLY 124 N -0.02 0.73 0.00 -1.41 0.00 -1.09 -4.86 105.19 98.55 3fic n GLY 124 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 3fic n GLY 124 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fic n HIS 125 N -2.16 0.00 -4.20 1.61 8.25 -1.01 -4.66 115.22 113.06 3fic n HIS 125 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 3fic n HIS 125 Cb 0.02 -0.49 -0.07 0.00 1.12 0.00 0.00 29.99 30.57 3fic n HIS 125 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3fic s ILE 126 N -2.97 3.11 0.24 1.59 -1.09 -1.25 -1.34 121.20 119.49 3fic s ILE 126 Ca 0.05 -1.80 -0.13 0.00 -2.23 0.00 0.00 60.65 56.54 3fic s ILE 126 Cb 0.06 -2.92 -0.00 0.00 -1.58 0.00 0.00 42.46 38.02 3fic s ILE 126 CO 0.16 -0.25 0.46 0.28 -1.23 0.00 0.00 174.94 174.36 3fic s THR 127 N -2.40 0.01 -0.08 2.92 -1.32 -0.67 -2.86 115.64 111.23 3fic s THR 127 Ca 0.35 -1.37 -0.04 0.00 -1.21 0.00 0.00 61.69 59.42 3fic s THR 127 Cb -0.03 -2.13 0.03 0.00 -1.51 0.00 0.00 72.50 68.86 3fic s THR 127 CO 0.21 -0.03 0.18 -0.69 -2.21 0.00 0.00 174.62 172.08 3fic s VAL 128 N -4.01 -0.03 -1.82 5.08 1.01 0.31 -2.91 120.40 118.04 3fic s VAL 128 Ca 0.21 0.12 -0.21 0.00 0.00 0.00 0.00 61.98 62.10 3fic s VAL 128 Cb -0.00 -0.28 0.20 0.00 0.00 0.00 0.00 36.38 36.30 3fic s VAL 128 CO 0.07 0.05 0.64 0.59 0.00 0.00 0.00 175.10 176.45 3fic n ASN 129 N 3.84 -2.21 0.00 3.32 3.02 -0.79 -2.23 115.26 120.21 3fic n ASN 129 Ca -0.22 -1.17 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 3fic n ASN 129 Cb 0.54 -1.99 0.00 0.00 -0.61 0.00 0.00 39.78 37.72 3fic n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fic n GLY 130 N -1.23 2.00 3.61 7.41 0.00 -1.26 -5.01 105.19 110.71 3fic n GLY 130 Ca 0.09 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 3fic n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fic n ARG 131 N 0.00 1.10 -3.17 1.61 3.00 -0.95 -4.88 116.66 113.37 3fic n ARG 131 Ca 0.00 0.41 -0.27 0.00 -0.01 0.00 0.00 57.85 57.98 3fic n ARG 131 Cb 0.00 -2.11 -0.02 0.00 0.00 0.00 0.00 32.46 30.33 3fic n ARG 131 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 3fic s ARG 132 N -2.43 3.57 0.03 5.56 1.04 -1.26 0.11 118.95 125.57 3fic s ARG 132 Ca 0.70 -0.04 0.01 0.00 -1.04 0.00 0.00 55.73 55.36 3fic s ARG 132 Cb -0.47 -2.58 -0.02 0.00 -2.04 0.00 0.00 34.95 29.84 3fic s ARG 132 CO 0.52 0.09 -0.05 0.08 -0.04 0.00 0.00 175.30 175.89 3fic s VAL 133 N -2.33 0.34 -0.04 4.99 1.01 -1.14 -4.80 120.40 118.44 3fic s VAL 133 Ca 0.44 -1.06 0.23 0.00 0.00 0.00 0.00 61.98 61.58 3fic s VAL 133 Cb -0.10 -0.52 0.42 0.00 0.00 0.00 0.00 36.38 36.18 3fic s VAL 133 CO 0.35 -0.48 1.18 -0.90 0.00 0.00 0.00 175.10 175.25 3fic n ASP 134 N 1.42 1.12 -4.26 3.32 3.85 -1.24 -4.48 116.55 116.29 3fic n ASP 134 Ca -0.23 -2.37 -0.43 0.00 -0.71 0.00 0.00 54.79 51.06 3fic n ASP 134 Cb 0.55 -0.34 -0.03 0.00 -1.35 0.00 0.00 41.12 39.95 3fic n ASP 134 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3fic s LEU 135 N -0.63 6.17 0.21 -2.12 2.01 -1.26 -4.42 118.68 118.65 3fic s LEU 135 Ca 0.34 -3.26 -0.19 0.00 0.01 0.00 0.00 54.13 51.04 3fic s LEU 135 Cb 0.38 -2.10 0.20 0.00 0.01 0.00 0.00 46.19 44.67 3fic s LEU 135 CO -0.15 -0.36 1.57 -0.65 1.01 0.00 0.00 176.35 177.77 3fic h PRO 136 N 6.91 -0.07 -1.03 1.29 0.11 -1.91 0.45 132.00 137.75 3fic h PRO 136 Ca 0.13 0.00 0.27 0.00 0.11 0.00 0.00 66.00 66.52 3fic h PRO 136 Cb 0.92 0.02 -0.12 0.00 0.11 0.00 0.00 31.00 31.92 3fic h PRO 136 CO 0.86 -0.04 0.62 0.66 -0.21 0.00 0.00 178.00 179.89 3fic h SER 137 N -0.07 0.58 -0.41 -2.05 4.64 -1.97 -3.11 113.55 111.15 3fic h SER 137 Ca 0.30 0.13 -0.35 0.00 -0.47 0.00 0.00 61.79 61.41 3fic h SER 137 Cb 0.58 0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.73 3fic h SER 137 CO -0.86 0.05 0.20 0.00 -0.87 0.00 0.00 176.83 175.35 3fic n TYR 138 N -4.85 0.58 -3.29 4.77 -0.00 0.16 -4.46 117.16 110.07 3fic n TYR 138 Ca 0.28 0.46 -0.42 0.00 -0.00 0.00 0.00 57.90 58.22 3fic n TYR 138 Cb 0.85 -0.90 -0.08 0.00 -0.00 0.00 0.00 39.34 39.21 3fic n TYR 138 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 3fic s ARG 139 N 0.85 3.27 0.13 2.98 0.52 -1.26 -0.47 118.95 124.96 3fic s ARG 139 Ca 0.41 -0.57 -0.31 0.00 -0.52 0.00 0.00 55.73 54.75 3fic s ARG 139 Cb -0.59 -3.92 -0.08 0.00 0.52 0.00 0.00 34.95 30.89 3fic s ARG 139 CO 0.31 -0.79 1.30 0.08 0.02 0.00 0.00 175.30 176.21 3fic s VAL 140 N 2.25 3.50 0.40 3.52 1.01 0.29 -4.99 120.40 126.39 3fic s VAL 140 Ca 0.14 1.13 -0.02 0.00 0.00 0.00 0.00 61.98 63.24 3fic s VAL 140 Cb -0.16 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 3fic s VAL 140 CO 0.14 0.12 0.64 -0.13 0.00 0.00 0.00 175.10 175.87 3fic s ARG 141 N 0.67 3.47 -0.13 2.72 0.52 -1.26 -4.87 118.95 120.07 3fic s ARG 141 Ca 0.60 -0.15 -0.29 0.00 -0.52 0.00 0.00 55.73 55.36 3fic s ARG 141 Cb -0.34 -2.55 -0.04 0.00 0.52 0.00 0.00 34.95 32.53 3fic s ARG 141 CO 0.32 -0.02 1.67 -2.14 0.02 0.00 0.00 175.30 175.16 3fic s PRO 142 N -4.49 3.97 0.00 3.54 0.02 -1.26 -2.75 135.00 134.03 3fic s PRO 142 Ca 0.43 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.43 3fic s PRO 142 Cb -0.10 -4.03 0.00 0.00 0.02 0.00 0.00 34.50 30.39 3fic s PRO 142 CO 0.39 -1.09 0.00 0.41 -0.33 0.00 0.00 177.00 176.38 3fic n GLY 143 N 4.43 1.35 3.86 0.52 0.00 0.41 -4.99 105.19 110.78 3fic n GLY 143 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3fic n GLY 143 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fic s ASP 144 N -2.00 6.64 -0.23 1.61 1.01 -1.11 -4.82 116.67 117.77 3fic s ASP 144 Ca 0.00 0.77 -0.13 0.00 0.71 0.00 0.00 52.55 53.90 3fic s ASP 144 Cb 0.00 -2.17 -0.04 0.00 1.01 0.00 0.00 42.92 41.71 3fic s ASP 144 CO 0.00 0.22 0.29 -1.61 0.21 0.00 0.00 175.17 174.29 3fic s GLU 145 N -1.69 4.11 -0.31 8.23 2.02 -1.26 -0.76 118.70 129.03 3fic s GLU 145 Ca 0.30 -0.02 0.01 0.00 0.02 0.00 0.00 54.97 55.27 3fic s GLU 145 Cb -0.14 -3.55 0.07 0.00 0.10 0.00 0.00 34.13 30.61 3fic s GLU 145 CO 0.16 -0.02 0.01 0.42 0.02 0.00 0.00 175.26 175.85 3fic s ILE 146 N 1.28 2.61 0.37 -1.63 1.09 -0.14 -1.88 121.20 122.91 3fic s ILE 146 Ca 0.14 -1.80 0.04 0.00 -1.10 0.00 0.00 60.65 57.92 3fic s ILE 146 Cb -0.14 -2.66 -0.05 0.00 -1.06 0.00 0.00 42.46 38.55 3fic s ILE 146 CO 0.07 -0.30 0.07 0.00 -0.10 0.00 0.00 174.94 174.68 3fic s ALA 147 N 1.10 2.74 0.58 9.38 0.00 -1.14 -1.92 121.76 132.50 3fic s ALA 147 Ca -0.00 -1.68 -0.15 0.00 0.00 0.00 0.00 51.96 50.13 3fic s ALA 147 Cb -0.20 0.60 -0.05 0.00 0.00 0.00 0.00 23.12 23.47 3fic s ALA 147 CO -0.04 -0.28 1.03 0.08 0.00 0.00 0.00 175.76 176.54 3fic s VAL 148 N -3.20 4.26 0.45 0.00 1.01 -1.22 -1.68 120.40 120.02 3fic s VAL 148 Ca 0.30 0.97 -0.16 0.00 0.00 0.00 0.00 61.98 63.09 3fic s VAL 148 Cb 0.06 -3.59 -0.08 0.00 0.00 0.00 0.00 36.38 32.77 3fic s VAL 148 CO 0.14 -0.72 0.90 0.00 0.00 0.00 0.00 175.10 175.42 3fic s ALA 149 N -2.71 3.15 0.14 5.51 0.00 -0.45 -4.76 121.76 122.64 3fic s ALA 149 Ca 0.60 0.14 -0.22 0.00 0.00 0.00 0.00 51.96 52.47 3fic s ALA 149 Cb -0.13 -3.00 0.01 0.00 0.00 0.00 0.00 23.12 20.00 3fic s ALA 149 CO 0.40 -0.03 1.64 1.05 0.00 0.00 0.00 175.76 178.82 3fic h GLU 150 N 1.39 -0.23 -0.58 0.00 9.09 -1.96 0.36 114.58 122.65 3fic h GLU 150 Ca -0.47 0.02 0.10 0.00 0.05 0.00 0.00 59.36 59.05 3fic h GLU 150 Cb 1.18 0.05 -0.03 0.00 -1.65 0.00 0.00 28.75 28.30 3fic h GLU 150 CO 0.62 -0.15 0.39 -0.22 0.05 0.00 0.00 179.01 179.70 3fic h LYS 151 N -0.24 0.36 0.06 1.06 3.64 -1.97 -2.00 116.57 117.47 3fic h LYS 151 Ca 0.12 -0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.23 3fic h LYS 151 Cb 0.41 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3fic h LYS 151 CO -0.32 0.24 -1.14 0.77 -2.27 0.00 0.00 179.45 176.73 3fic h SER 152 N 0.37 0.20 -1.07 4.20 0.02 -1.43 -3.36 113.55 112.48 3fic h SER 152 Ca 0.27 -0.21 0.31 0.00 -0.84 0.00 0.00 61.79 61.31 3fic h SER 152 Cb 0.57 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 3fic h SER 152 CO -0.07 1.17 0.90 0.54 -1.14 0.00 0.00 176.83 178.23 3fic n ARG 153 N -3.43 0.00 -0.68 3.45 1.74 0.11 0.10 116.66 117.96 3fic n ARG 153 Ca -0.04 0.71 0.05 0.00 -0.77 0.00 0.00 57.85 57.80 3fic n ARG 153 Cb 0.98 -1.68 0.31 0.00 -1.02 0.00 0.00 32.46 31.05 3fic n ARG 153 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3fic n ASN 154 N -2.99 4.49 -4.68 0.55 3.02 -1.26 -4.82 115.26 109.57 3fic n ASN 154 Ca 0.24 -3.07 -0.42 0.00 -0.03 0.00 0.00 54.58 51.30 3fic n ASN 154 Cb 1.22 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 39.74 3fic n ASN 154 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fic s LEU 155 N -2.87 4.27 0.46 3.41 1.43 0.28 -4.88 118.68 120.78 3fic s LEU 155 Ca 0.48 1.85 0.32 0.00 -1.03 0.00 0.00 54.13 55.75 3fic s LEU 155 Cb 0.38 -3.56 1.44 0.00 0.03 0.00 0.00 46.19 44.48 3fic s LEU 155 CO 0.11 -0.64 1.65 -0.33 0.23 0.00 0.00 176.35 177.38 3fic h GLU 156 N 7.66 0.10 0.02 1.70 5.08 -1.94 -0.41 114.58 126.79 3fic h GLU 156 Ca -0.34 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3fic h GLU 156 Cb 1.15 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3fic h GLU 156 CO 0.90 0.07 -0.01 1.25 -1.00 0.00 0.00 179.01 180.22 3fic h LEU 157 N 0.11 -0.02 -1.71 1.33 5.85 -1.96 -2.71 115.31 116.19 3fic h LEU 157 Ca 0.78 0.00 0.50 0.00 0.84 0.00 0.00 57.88 60.00 3fic h LEU 157 Cb 2.56 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 43.52 3fic h LEU 157 CO -0.31 0.08 1.35 -0.38 -0.34 0.00 0.00 178.44 178.85 3fic n ILE 158 N -2.59 0.00 0.00 4.05 2.08 -0.91 -0.51 119.36 121.48 3fic n ILE 158 Ca -0.00 1.40 0.00 0.00 0.56 0.00 0.00 62.75 64.71 3fic n ILE 158 Cb 0.01 -2.38 0.00 0.00 -0.75 0.00 0.00 39.64 36.52 3fic n ILE 158 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3fic n ARG 159 N -3.71 0.00 -0.37 0.38 5.12 -0.21 -2.05 116.66 115.82 3fic n ARG 159 Ca 0.39 0.00 0.29 0.00 -1.93 0.00 0.00 57.85 56.60 3fic n ARG 159 Cb 1.87 -0.79 0.47 0.00 -1.16 0.00 0.00 32.46 32.85 3fic n ARG 159 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3fic n GLN 160 N -0.49 -0.01 0.10 5.56 6.02 0.34 -0.06 117.38 128.84 3fic n GLN 160 Ca 0.00 0.75 -0.04 0.00 -0.01 0.00 0.00 57.00 57.70 3fic n GLN 160 Cb 0.00 -1.58 -0.02 0.00 1.02 0.00 0.00 30.24 29.66 3fic n GLN 160 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 3fic h ASN 161 N 0.00 -0.24 -0.01 1.08 4.21 -1.06 -3.18 115.58 116.39 3fic h ASN 161 Ca 0.58 0.01 0.00 0.00 1.21 0.00 0.00 56.30 58.10 3fic h ASN 161 Cb 2.07 0.06 -0.00 0.00 -1.12 0.00 0.00 38.32 39.33 3fic h ASN 161 CO -0.17 -0.06 0.05 -0.07 -1.29 0.00 0.00 177.43 175.89 3fic h LEU 162 N -0.52 0.00 0.00 1.61 3.38 0.13 -2.57 115.31 117.34 3fic h LEU 162 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3fic h LEU 162 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3fic h LEU 162 CO 0.05 0.00 0.00 1.21 0.09 0.00 0.00 178.44 179.79 3fic n GLU 163 N -3.15 0.00 -0.25 1.13 4.07 0.41 -1.31 120.64 121.55 3fic n GLU 163 Ca -0.03 0.56 0.32 0.00 -0.06 0.00 0.00 57.16 57.95 3fic n GLU 163 Cb 0.12 -1.32 0.74 0.00 -0.06 0.00 0.00 31.44 30.91 3fic n GLU 163 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3fic h ALA 164 N -1.69 2.97 -0.03 4.31 0.00 -1.47 0.22 119.26 123.57 3fic h ALA 164 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3fic h ALA 164 Cb 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3fic h ALA 164 CO 0.00 -1.31 0.05 0.52 0.00 0.00 0.00 179.25 178.51 3fic h MET 165 N 0.00 0.00 -6.19 0.00 2.86 -1.01 -3.39 114.93 107.19 3fic h MET 165 Ca 0.49 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.55 3fic h MET 165 Cb 2.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.68 3fic h MET 165 CO -0.01 0.00 1.33 0.15 1.06 0.00 0.00 176.91 179.44 3fic s LYS 166 N -4.40 3.34 0.00 1.72 1.02 0.76 -3.06 119.74 119.11 3fic s LYS 166 Ca -0.05 1.66 0.00 0.00 0.02 0.00 0.00 55.97 57.60 3fic s LYS 166 Cb 0.14 -4.23 0.00 0.00 -0.52 0.00 0.00 37.83 33.21 3fic s LYS 166 CO 0.47 -1.86 0.00 0.41 -0.92 0.00 0.00 175.35 173.46 3fic n GLY 167 N 5.44 2.61 3.75 -3.33 0.00 -1.26 -5.08 105.19 107.32 3fic n GLY 167 Ca 0.24 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 3fic n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fic n ARG 168 N 0.00 2.15 -2.73 1.61 1.74 -1.17 -5.03 116.66 113.23 3fic n ARG 168 Ca 0.00 0.77 -0.22 0.00 -0.77 0.00 0.00 57.85 57.63 3fic n ARG 168 Cb 0.00 -2.59 0.07 0.00 -1.02 0.00 0.00 32.46 28.92 3fic n ARG 168 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3fic s LYS 169 N -2.47 2.13 0.12 5.56 1.02 -1.26 -4.99 119.74 119.85 3fic s LYS 169 Ca 0.62 -1.14 -0.20 0.00 0.02 0.00 0.00 55.97 55.27 3fic s LYS 169 Cb -0.45 -2.47 0.05 0.00 -0.52 0.00 0.00 37.83 34.44 3fic s LYS 169 CO 0.57 -1.03 0.51 0.54 -0.92 0.00 0.00 175.35 175.01 3fic s VAL 170 N -2.88 0.03 0.00 3.17 0.11 -1.26 -5.11 120.40 114.47 3fic s VAL 170 Ca 0.62 -0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.39 3fic s VAL 170 Cb -0.07 -1.06 0.00 0.00 -1.53 0.00 0.00 36.38 33.72 3fic s VAL 170 CO 0.41 -0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.63 3fic n GLY 171 N -0.14 0.00 0.40 6.54 0.00 -1.26 -4.62 105.19 106.10 3fic n GLY 171 Ca -0.17 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.03 3fic n GLY 171 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fic h PRO 172 N 0.00 0.00 -0.64 1.61 0.11 -1.99 0.82 132.00 131.91 3fic h PRO 172 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3fic h PRO 172 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3fic h PRO 172 CO 0.00 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.12 3fic n TRP 173 N -3.19 1.41 -4.31 0.65 2.14 -1.26 -4.94 117.44 107.94 3fic n TRP 173 Ca 0.08 -0.53 -0.15 0.00 2.07 0.00 0.00 57.50 58.96 3fic n TRP 173 Cb 0.84 -0.29 -0.04 0.00 -0.81 0.00 0.00 31.31 31.01 3fic n TRP 173 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 3fic n LEU 174 N 0.80 0.00 -3.14 5.67 4.77 0.29 -1.46 117.00 123.92 3fic n LEU 174 Ca 0.22 -1.80 0.05 0.00 -0.03 0.00 0.00 56.01 54.45 3fic n LEU 174 Cb 0.85 0.52 -0.00 0.00 -2.33 0.00 0.00 43.42 42.47 3fic n LEU 174 CO 0.22 -0.27 0.32 -0.94 -1.33 0.00 0.00 177.39 175.39 3fic s SER 175 N -2.47 -0.98 -0.16 -1.43 1.04 -1.23 -4.81 113.70 103.66 3fic s SER 175 Ca 0.10 0.08 -0.16 0.00 0.48 0.00 0.00 55.95 56.46 3fic s SER 175 Cb 0.00 1.60 -0.04 0.00 0.10 0.00 0.00 66.02 67.68 3fic s SER 175 CO 0.07 -0.18 0.37 -0.22 0.98 0.00 0.00 173.24 174.26 3fic s LEU 176 N 2.84 4.24 -0.87 2.42 2.96 -1.26 -1.54 118.68 127.46 3fic s LEU 176 Ca 0.19 0.60 0.00 0.00 -0.22 0.00 0.00 54.13 54.71 3fic s LEU 176 Cb -0.05 -2.50 0.34 0.00 0.50 0.00 0.00 46.19 44.47 3fic s LEU 176 CO -0.24 0.03 1.69 -0.67 -1.32 0.00 0.00 176.35 175.85 3fic n ASP 177 N 3.78 6.78 -0.03 3.68 -0.08 -1.14 -4.91 116.55 124.64 3fic n ASP 177 Ca -0.10 -3.73 0.02 0.00 -1.51 0.00 0.00 54.79 49.47 3fic n ASP 177 Cb 0.52 -1.00 0.04 0.00 2.34 0.00 0.00 41.12 43.01 3fic n ASP 177 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 3fic n VAL 178 N -0.24 -0.03 0.00 5.18 0.31 -1.26 -1.14 118.33 121.14 3fic n VAL 178 Ca 0.46 0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.96 3fic n VAL 178 Cb 0.30 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 3fic n VAL 178 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3fic n GLU 179 N -3.50 0.00 0.00 5.55 1.02 -1.26 -2.05 120.64 120.40 3fic n GLU 179 Ca 0.03 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 3fic n GLU 179 Cb 0.09 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 3fic n GLU 179 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fic n GLY 180 N -0.65 0.49 3.32 0.62 0.00 -0.29 -4.87 105.19 103.82 3fic n GLY 180 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3fic n GLY 180 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3fic n MET 181 N -0.07 -0.80 -3.36 1.61 0.00 -0.32 -4.87 117.12 109.30 3fic n MET 181 Ca 0.00 0.31 -0.06 0.00 0.00 0.00 0.00 57.70 57.95 3fic n MET 181 Cb 0.12 -1.16 -0.06 0.00 0.00 0.00 0.00 33.22 32.12 3fic n MET 181 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 3fic s LYS 182 N -4.05 0.40 0.81 3.17 -2.85 -1.25 -3.44 119.74 112.54 3fic s LYS 182 Ca 0.04 0.75 -0.05 0.00 -1.00 0.00 0.00 55.97 55.72 3fic s LYS 182 Cb -0.02 -0.07 0.17 0.00 -2.06 0.00 0.00 37.83 35.84 3fic s LYS 182 CO 0.50 -0.56 1.11 0.20 0.10 0.00 0.00 175.35 176.69 3fic s GLY 183 N 2.64 1.77 0.19 0.59 0.00 -0.81 -2.87 107.32 108.83 3fic s GLY 183 Ca 0.12 -1.71 0.02 0.00 0.00 0.00 0.00 44.72 43.15 3fic s GLY 183 CO -0.17 -1.04 0.02 0.54 0.00 0.00 0.00 173.10 172.46 3fic s LYS 184 N -5.39 1.17 -0.50 2.90 1.02 -0.59 -0.97 119.74 117.38 3fic s LYS 184 Ca 0.70 -1.58 -0.04 0.00 0.02 0.00 0.00 55.97 55.07 3fic s LYS 184 Cb -0.04 -0.28 0.13 0.00 -0.52 0.00 0.00 37.83 37.13 3fic s LYS 184 CO 0.47 -0.16 0.32 0.12 -0.92 0.00 0.00 175.35 175.19 3fic s PHE 185 N -3.67 3.51 0.05 3.18 5.36 0.06 -3.57 117.98 122.90 3fic s PHE 185 Ca 0.27 -2.45 -0.32 0.00 -0.96 0.00 0.00 56.93 53.47 3fic s PHE 185 Cb 0.06 -3.26 -0.18 0.00 -0.34 0.00 0.00 43.02 39.30 3fic s PHE 185 CO 0.06 -0.93 1.44 -0.07 -1.46 0.00 0.00 175.22 174.26 3fic h LEU 186 N 7.72 -0.97 -7.57 6.12 3.38 -1.57 1.19 115.31 123.61 3fic h LEU 186 Ca -0.09 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.07 3fic h LEU 186 Cb 1.02 0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.93 3fic h LEU 186 CO 0.73 -0.68 0.47 0.00 0.09 0.00 0.00 178.44 179.05 3fic s ARG 187 N -5.46 1.16 -0.02 1.13 1.70 -1.22 -4.35 118.95 111.89 3fic s ARG 187 Ca -0.17 -0.62 -0.30 0.00 -0.47 0.00 0.00 55.73 54.17 3fic s ARG 187 Cb 0.02 0.41 -0.06 0.00 -0.57 0.00 0.00 34.95 34.75 3fic s ARG 187 CO 0.50 -0.53 1.50 -0.51 -1.08 0.00 0.00 175.30 175.19 3fic s LEU 188 N -2.88 4.31 0.58 -1.89 1.43 -1.26 -4.80 118.68 114.17 3fic s LEU 188 Ca 0.11 2.17 -0.20 0.00 -1.03 0.00 0.00 54.13 55.18 3fic s LEU 188 Cb -0.01 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 3fic s LEU 188 CO 0.01 -0.81 1.32 -2.16 0.23 0.00 0.00 176.35 174.94 3fic s PRO 189 N 3.03 2.97 0.06 1.29 0.04 -1.26 -5.02 135.00 136.11 3fic s PRO 189 Ca 0.67 2.14 0.01 0.00 0.04 0.00 0.00 61.00 63.87 3fic s PRO 189 Cb -0.32 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 3fic s PRO 189 CO 0.27 -1.29 0.15 0.34 0.04 0.00 0.00 177.00 176.51 3fic s ASP 190 N -1.14 5.98 0.07 6.66 2.15 -1.26 -4.70 116.67 124.43 3fic s ASP 190 Ca 0.75 0.15 -0.14 0.00 0.43 0.00 0.00 52.55 53.75 3fic s ASP 190 Cb -0.38 -1.75 -0.02 0.00 -0.30 0.00 0.00 42.92 40.46 3fic s ASP 190 CO 0.44 0.18 0.69 -1.14 -0.17 0.00 0.00 175.17 175.17 3fic n ARG 191 N 0.42 -0.19 -0.32 4.34 3.00 -1.26 0.14 116.66 122.79 3fic n ARG 191 Ca -0.07 0.68 0.20 0.00 -0.00 0.00 0.00 57.85 58.66 3fic n ARG 191 Cb 0.51 -1.00 0.39 0.00 0.00 0.00 0.00 32.46 32.37 3fic n ARG 191 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3fic h GLU 192 N 0.00 0.11 -1.00 -0.14 3.07 -2.04 0.66 114.58 115.24 3fic h GLU 192 Ca 0.08 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.96 3fic h GLU 192 Cb 0.19 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.02 3fic h GLU 192 CO -0.42 0.07 0.66 -0.44 -1.40 0.00 0.00 179.01 177.48 3fic h ASP 193 N 0.11 1.11 -3.62 1.42 3.32 0.84 -3.42 116.42 116.19 3fic h ASP 193 Ca 0.67 -0.02 -0.49 0.00 0.02 0.00 0.00 57.03 57.21 3fic h ASP 193 Cb 1.52 -0.26 0.04 0.00 0.22 0.00 0.00 39.33 40.84 3fic h ASP 193 CO -0.76 0.78 0.13 -0.76 -1.72 0.00 0.00 179.24 176.91 3fic s LEU 194 N -10.14 3.61 -0.46 1.55 2.01 0.23 -4.97 118.68 110.50 3fic s LEU 194 Ca -0.13 0.96 0.07 0.00 0.01 0.00 0.00 54.13 55.03 3fic s LEU 194 Cb 0.18 -3.92 0.28 0.00 0.01 0.00 0.00 46.19 42.75 3fic s LEU 194 CO 0.82 -0.59 0.95 0.00 1.01 0.00 0.00 176.35 178.53 3fic n ALA 195 N -2.28 -0.68 -2.85 4.21 0.00 -1.26 -4.91 120.51 112.74 3fic n ALA 195 Ca 0.01 -1.69 -0.30 0.00 0.00 0.00 0.00 53.44 51.46 3fic n ALA 195 Cb 0.55 -1.20 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 3fic n ALA 195 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fic s LEU 196 N -1.47 4.07 -0.48 0.00 1.02 -1.26 -4.97 118.68 115.59 3fic s LEU 196 Ca 0.29 0.10 -0.12 0.00 0.02 0.00 0.00 54.13 54.41 3fic s LEU 196 Cb 0.26 -2.70 -0.12 0.00 0.02 0.00 0.00 46.19 43.65 3fic s LEU 196 CO -0.15 0.14 1.67 -0.81 0.02 0.00 0.00 176.35 177.23 3fic n PRO 197 N 0.16 1.03 -3.73 1.29 -0.04 -1.26 -4.78 135.00 127.67 3fic n PRO 197 Ca -0.07 -1.21 -0.14 0.00 -0.04 0.00 0.00 63.50 62.05 3fic n PRO 197 Cb 0.52 -2.44 -0.09 0.00 -0.04 0.00 0.00 33.50 31.45 3fic n PRO 197 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3fic s VAL 198 N 4.81 0.03 -0.75 0.52 1.01 -1.26 -4.90 120.40 119.86 3fic s VAL 198 Ca 0.38 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 3fic s VAL 198 Cb 0.09 -0.62 0.19 0.00 0.00 0.00 0.00 36.38 36.05 3fic s VAL 198 CO 0.07 -0.11 0.61 0.21 0.00 0.00 0.00 175.10 175.88 3fic s ASN 199 N -0.57 5.84 0.45 3.32 3.84 -1.26 -4.94 114.94 121.62 3fic s ASN 199 Ca -0.07 -3.00 0.36 0.00 0.21 0.00 0.00 52.86 50.37 3fic s ASN 199 Cb -0.04 -1.97 1.24 0.00 -0.55 0.00 0.00 41.25 39.93 3fic s ASN 199 CO 0.03 -0.39 1.20 -1.84 -2.79 0.00 0.00 177.10 173.31 3fic n GLU 200 N 3.37 0.00 0.39 0.43 0.00 -1.26 -0.95 120.64 122.63 3fic n GLU 200 Ca 0.12 0.85 -0.19 0.00 0.00 0.00 0.00 57.16 57.94 3fic n GLU 200 Cb 0.40 -2.00 -0.10 0.00 0.00 0.00 0.00 31.44 29.74 3fic n GLU 200 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 3fic h GLN 201 N 0.00 -1.10 -0.82 3.44 1.08 -1.94 -1.37 115.11 114.40 3fic h GLN 201 Ca 0.67 0.08 0.11 0.00 -1.45 0.00 0.00 58.65 58.06 3fic h GLN 201 Cb 2.88 0.25 -0.13 0.00 -0.05 0.00 0.00 27.48 30.43 3fic h GLN 201 CO -0.01 -0.74 -0.46 -0.07 -0.95 0.00 0.00 178.83 176.60 3fic h LEU 202 N -1.15 -1.67 -0.57 1.46 3.38 -1.43 0.55 115.31 115.89 3fic h LEU 202 Ca -0.09 0.29 0.11 0.00 0.09 0.00 0.00 57.88 58.28 3fic h LEU 202 Cb 0.94 0.78 -0.11 0.00 0.09 0.00 0.00 40.66 42.36 3fic h LEU 202 CO 0.05 -0.29 -0.18 0.58 0.09 0.00 0.00 178.44 178.69 3fic h VAL 203 N -0.10 0.38 0.10 1.22 2.07 -1.57 0.81 116.25 119.16 3fic h VAL 203 Ca 0.23 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.76 3fic h VAL 203 Cb 0.53 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 3fic h VAL 203 CO -0.85 0.00 -0.49 0.40 0.02 0.00 0.00 177.57 176.65 3fic h ILE 204 N -0.04 0.05 -0.27 4.57 1.08 0.10 -2.20 117.51 120.82 3fic h ILE 204 Ca 0.27 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.79 3fic h ILE 204 Cb 0.45 0.05 -0.08 0.00 -3.07 0.00 0.00 36.82 34.18 3fic h ILE 204 CO -0.61 0.00 -0.46 -0.33 -0.69 0.00 0.00 178.15 176.06 3fic h GLU 205 N -0.71 -0.42 -0.98 2.37 5.08 0.23 -0.92 114.58 119.23 3fic h GLU 205 Ca 0.01 0.03 0.33 0.00 -1.00 0.00 0.00 59.36 58.73 3fic h GLU 205 Cb 0.73 0.10 -0.16 0.00 0.50 0.00 0.00 28.75 29.92 3fic h GLU 205 CO -0.29 -0.28 0.48 0.35 -1.00 0.00 0.00 179.01 178.28 3fic h PHE 206 N -0.44 0.77 -0.02 4.33 3.57 0.84 0.13 116.94 126.11 3fic h PHE 206 Ca 0.09 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 3fic h PHE 206 Cb 0.62 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 3fic h PHE 206 CO -0.59 -0.28 0.01 0.66 -2.23 0.00 0.00 178.31 175.88 3fic n TYR 207 N -5.16 0.07 -0.57 0.41 0.53 -0.35 -1.86 117.16 110.24 3fic n TYR 207 Ca 0.32 -0.26 0.00 0.00 -1.02 0.00 0.00 57.90 56.93 3fic n TYR 207 Cb 1.01 -0.19 0.00 0.00 -1.03 0.00 0.00 39.34 39.14 3fic n TYR 207 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 3fic n SER 208 N 0.22 0.62 0.00 7.72 7.64 0.46 -5.08 113.62 125.19 3fic n SER 208 Ca 0.01 -1.19 0.00 0.00 1.01 0.00 0.00 58.87 58.71 3fic n SER 208 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 3fic n SER 208 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89