#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ici h GLU 3 N 0.00 0.48 0.03 -0.67 4.39 -2.05 0.24 114.58 117.00 1ici h GLU 3 Ca 0.00 -0.34 -0.25 0.00 0.34 0.00 0.00 59.36 59.11 1ici h GLU 3 Cb 0.00 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1ici h GLU 3 CO 0.00 0.96 -1.02 0.87 -1.16 0.00 0.00 179.01 178.65 1ici h LYS 4 N 0.35 0.47 0.29 2.33 1.79 -2.05 -2.12 116.57 117.63 1ici h LYS 4 Ca -0.01 -0.54 -0.01 0.00 -2.18 0.00 0.00 60.65 57.91 1ici h LYS 4 Cb 1.19 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 32.00 1ici h LYS 4 CO 0.11 1.18 -0.19 1.25 -1.08 0.00 0.00 179.45 180.73 1ici h LEU 5 N 0.25 -0.47 -1.39 2.94 5.85 -1.96 0.12 115.31 120.65 1ici h LEU 5 Ca -0.11 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.72 1ici h LEU 5 Cb 1.68 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.80 1ici h LEU 5 CO 0.18 -0.30 0.48 0.25 -0.34 0.00 0.00 178.44 178.71 1ici h LEU 6 N -0.47 0.65 -0.13 2.25 5.85 -0.53 -2.34 115.31 120.58 1ici h LEU 6 Ca -0.03 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.58 1ici h LEU 6 Cb 0.39 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1ici h LEU 6 CO 0.02 0.41 -0.38 0.50 -0.34 0.00 0.00 178.44 178.65 1ici h LYS 7 N 0.73 0.49 -0.91 1.25 3.64 -0.93 -1.15 116.57 119.69 1ici h LYS 7 Ca 0.32 -0.35 0.17 0.00 -1.27 0.00 0.00 60.65 59.52 1ici h LYS 7 Cb 0.32 0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 32.09 1ici h LYS 7 CO -0.11 0.97 0.48 1.15 -2.27 0.00 0.00 179.45 179.67 1ici h THR 8 N 0.09 0.67 0.21 1.00 2.02 -0.24 0.26 112.91 116.92 1ici h THR 8 Ca -0.01 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1ici h THR 8 Cb 1.00 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1ici h THR 8 CO 0.08 0.11 -0.10 0.40 0.37 0.00 0.00 175.52 176.39 1ici h ILE 9 N 0.63 0.65 -0.75 3.11 2.04 -1.40 -2.57 117.51 119.22 1ici h ILE 9 Ca 0.52 -1.01 0.11 0.00 1.00 0.00 0.00 64.86 65.48 1ici h ILE 9 Cb 0.81 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 1ici h ILE 9 CO -0.40 0.17 0.49 0.00 0.00 0.00 0.00 178.15 178.41 1ici h ALA 10 N -0.49 1.91 -0.38 1.87 0.00 -0.70 -1.84 119.26 119.62 1ici h ALA 10 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ici h ALA 10 Cb 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ici h ALA 10 CO 0.05 -0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.60 1ici n GLU 11 N -4.50 2.40 -1.73 0.00 1.02 0.86 -4.98 120.64 113.70 1ici n GLU 11 Ca 0.13 -2.12 -0.39 0.00 -0.02 0.00 0.00 57.16 54.76 1ici n GLU 11 Cb 0.40 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.36 1ici n GLU 11 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ici n SER 12 N 1.32 2.60 -0.00 1.62 3.41 -0.70 -4.92 113.62 116.95 1ici n SER 12 Ca 0.19 0.98 -0.05 0.00 -0.26 0.00 0.00 58.87 59.74 1ici n SER 12 Cb 0.56 -1.56 -0.12 0.00 -0.26 0.00 0.00 64.21 62.83 1ici n SER 12 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ici n LYS 13 N -0.93 0.63 -2.89 4.33 4.01 -1.26 -4.76 118.16 117.28 1ici n LYS 13 Ca 0.10 0.24 -0.04 0.00 -0.51 0.00 0.00 58.31 58.10 1ici n LYS 13 Cb 0.44 -1.78 0.00 0.00 -0.51 0.00 0.00 35.03 33.18 1ici n LYS 13 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 1ici s TYR 14 N -2.75 -1.53 0.09 2.13 5.04 -1.26 -5.00 117.35 114.07 1ici s TYR 14 Ca -0.04 -0.45 -0.22 0.00 -2.44 0.00 0.00 57.07 53.91 1ici s TYR 14 Cb 0.08 0.26 -0.07 0.00 0.35 0.00 0.00 41.96 42.59 1ici s TYR 14 CO 0.82 -1.24 0.66 -1.17 -1.34 0.00 0.00 175.55 173.29 1ici s LEU 15 N 1.07 4.52 0.39 6.97 0.20 -1.24 -2.11 118.68 128.48 1ici s LEU 15 Ca 0.27 1.39 0.03 0.00 0.69 0.00 0.00 54.13 56.51 1ici s LEU 15 Cb -0.01 -3.07 -0.04 0.00 -0.43 0.00 0.00 46.19 42.64 1ici s LEU 15 CO -0.06 0.19 0.09 0.68 -0.29 0.00 0.00 176.35 176.96 1ici s VAL 16 N -0.83 0.89 0.05 1.68 -7.23 -0.68 -0.46 120.40 113.81 1ici s VAL 16 Ca 0.33 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.46 1ici s VAL 16 Cb -0.21 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.22 1ici s VAL 16 CO 0.22 0.00 0.05 0.00 -0.31 0.00 0.00 175.10 175.05 1ici s ALA 17 N -3.19 0.15 -0.07 1.32 0.00 -0.68 -1.64 121.76 117.65 1ici s ALA 17 Ca 0.26 -0.81 -0.00 0.00 0.00 0.00 0.00 51.96 51.41 1ici s ALA 17 Cb 0.05 0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.47 1ici s ALA 17 CO 0.14 -0.34 -0.02 -1.17 0.00 0.00 0.00 175.76 174.36 1ici s LEU 18 N -2.44 0.92 0.20 0.00 2.96 0.46 -0.33 118.68 120.45 1ici s LEU 18 Ca -0.01 -0.12 0.11 0.00 -0.22 0.00 0.00 54.13 53.89 1ici s LEU 18 Cb 0.02 -0.48 -0.04 0.00 0.50 0.00 0.00 46.19 46.18 1ici s LEU 18 CO -0.07 -0.14 -0.22 0.42 -1.32 0.00 0.00 176.35 175.03 1ici s THR 19 N 1.56 2.24 0.13 3.68 -4.23 -0.39 -0.95 115.64 117.67 1ici s THR 19 Ca -0.01 -2.08 0.01 0.00 -1.18 0.00 0.00 61.69 58.43 1ici s THR 19 Cb -0.13 -2.09 -0.00 0.00 1.34 0.00 0.00 72.50 71.62 1ici s THR 19 CO -0.04 -0.23 0.04 0.61 -0.54 0.00 0.00 174.62 174.47 1ici n GLY 20 N 0.10 3.86 0.50 3.99 0.00 -0.42 -1.44 105.19 111.77 1ici n GLY 20 Ca -0.11 -2.01 0.31 0.00 0.00 0.00 0.00 46.02 44.21 1ici n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ici h ALA 21 N 1.20 2.89 0.00 4.61 0.00 -1.83 -2.06 119.26 124.06 1ici h ALA 21 Ca -0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1ici h ALA 21 Cb 0.38 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ici h ALA 21 CO 0.16 -1.30 -0.13 0.78 0.00 0.00 0.00 179.25 178.77 1ici h GLY 22 N 0.00 0.00 0.01 0.00 0.00 -1.17 -2.61 103.07 99.29 1ici h GLY 22 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1ici h GLY 22 CO -0.00 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.87 1ici n VAL 23 N -3.67 0.08 -0.04 4.60 0.24 -0.77 -2.94 118.33 115.82 1ici n VAL 23 Ca -0.02 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1ici n VAL 23 Cb 0.24 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 1ici n VAL 23 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1ici n SER 24 N -0.38 0.65 -0.28 -1.34 7.64 -0.99 -4.59 113.62 114.32 1ici n SER 24 Ca 0.12 -0.84 -0.05 0.00 1.01 0.00 0.00 58.87 59.11 1ici n SER 24 Cb 0.13 0.29 0.06 0.00 -1.01 0.00 0.00 64.21 63.68 1ici n SER 24 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ici h ALA 25 N 0.00 0.99 0.00 -0.43 0.00 -1.43 -1.46 119.26 116.93 1ici h ALA 25 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ici h ALA 25 Cb 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1ici h ALA 25 CO 0.00 0.49 0.00 0.39 0.00 0.00 0.00 179.25 180.13 1ici n GLU 26 N -4.45 0.71 -0.12 0.00 1.02 -1.26 -1.53 120.64 115.01 1ici n GLU 26 Ca 0.07 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.29 1ici n GLU 26 Cb 0.08 -1.20 0.14 0.00 -0.02 0.00 0.00 31.44 30.44 1ici n GLU 26 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1ici n SER 27 N -0.70 2.84 0.00 1.62 7.64 -0.57 -4.82 113.62 119.63 1ici n SER 27 Ca 0.07 -1.83 0.00 0.00 1.01 0.00 0.00 58.87 58.12 1ici n SER 27 Cb 0.03 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1ici n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ici n GLY 28 N 0.95 0.73 2.93 0.23 0.00 -0.58 -4.39 105.19 105.06 1ici n GLY 28 Ca 0.13 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 1ici n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ici s ILE 29 N -2.00 2.45 0.71 -0.61 1.01 -1.10 -5.03 121.20 116.63 1ici s ILE 29 Ca 0.00 -3.21 -0.16 0.00 0.00 0.00 0.00 60.65 57.28 1ici s ILE 29 Cb 0.00 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 39.79 1ici s ILE 29 CO 0.00 -0.80 1.24 -2.65 0.00 0.00 0.00 174.94 172.72 1ici n PRO 30 N 3.19 0.74 -2.51 2.79 -0.02 -1.26 -3.26 135.00 134.67 1ici n PRO 30 Ca 0.05 0.32 -0.33 0.00 -2.02 0.00 0.00 63.50 61.52 1ici n PRO 30 Cb 0.33 -2.47 -0.04 0.00 -0.02 0.00 0.00 33.50 31.30 1ici n PRO 30 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ici s THR 31 N -1.68 4.05 0.22 3.45 -4.23 -1.26 -4.96 115.64 111.24 1ici s THR 31 Ca 0.79 1.18 0.09 0.00 -1.18 0.00 0.00 61.69 62.57 1ici s THR 31 Cb -0.35 -3.52 -0.08 0.00 1.34 0.00 0.00 72.50 69.90 1ici s THR 31 CO 0.45 -0.37 1.51 -0.26 -0.54 0.00 0.00 174.62 175.41 1ici h PHE 32 N 1.38 0.04 -6.35 3.99 -1.00 -1.95 -3.48 116.94 109.57 1ici h PHE 32 Ca -0.49 -0.02 -0.47 0.00 2.81 0.00 0.00 57.97 59.81 1ici h PHE 32 Cb 1.20 -0.01 0.01 0.00 3.61 0.00 0.00 35.95 40.77 1ici h PHE 32 CO 0.59 0.75 -0.90 0.54 -1.61 0.00 0.00 178.31 177.68 1ici n ARG 33 N -3.69 -2.81 -0.28 1.51 1.74 -1.26 -1.48 116.66 110.39 1ici n ARG 33 Ca -0.01 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1ici n ARG 33 Cb 0.71 -4.47 0.00 0.00 -1.02 0.00 0.00 32.46 27.68 1ici n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ici n GLY 34 N -1.82 2.03 3.46 -0.13 0.00 -1.26 -5.01 105.19 102.45 1ici n GLY 34 Ca -0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 1ici n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ici s LYS 35 N -0.05 1.64 0.25 1.61 -0.14 -0.55 -3.87 119.74 118.63 1ici s LYS 35 Ca 0.00 -1.53 0.25 0.00 -1.36 0.00 0.00 55.97 53.33 1ici s LYS 35 Cb 0.00 -1.89 0.90 0.00 -1.68 0.00 0.00 37.83 35.17 1ici s LYS 35 CO 0.00 0.39 1.75 -0.40 -0.76 0.00 0.00 175.35 176.33 1ici n ASP 36 N 0.06 0.78 0.00 2.83 5.68 -0.49 -4.41 116.55 120.99 1ici n ASP 36 Ca -0.11 0.63 0.00 0.00 -0.50 0.00 0.00 54.79 54.81 1ici n ASP 36 Cb 0.57 -0.82 0.00 0.00 -1.14 0.00 0.00 41.12 39.73 1ici n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ici n GLY 37 N 0.63 1.19 0.65 6.12 0.00 -1.26 -4.77 105.19 107.75 1ici n GLY 37 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 1ici n GLY 37 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ici n LEU 38 N 0.00 1.31 0.04 0.99 7.94 -1.26 -4.74 117.00 121.28 1ici n LEU 38 Ca 0.00 0.20 0.11 0.00 -1.11 0.00 0.00 56.01 55.21 1ici n LEU 38 Cb 0.00 -0.48 -0.08 0.00 0.53 0.00 0.00 43.42 43.39 1ici n LEU 38 CO 0.00 -0.55 -0.35 0.79 -1.11 0.00 0.00 177.39 176.16 1ici n TRP 39 N -3.76 0.42 -3.88 1.96 8.01 -1.26 -4.97 117.44 113.97 1ici n TRP 39 Ca -0.05 0.12 -0.24 0.00 -1.31 0.00 0.00 57.50 56.02 1ici n TRP 39 Cb 0.19 -0.67 -0.00 0.00 -2.01 0.00 0.00 31.31 28.82 1ici n TRP 39 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1ici n ASN 40 N -2.39 -0.69 0.00 -0.99 3.02 -1.26 -4.87 115.26 108.08 1ici n ASN 40 Ca -0.02 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 1ici n ASN 40 Cb 0.54 -3.38 0.00 0.00 -0.61 0.00 0.00 39.78 36.34 1ici n ASN 40 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1ici n ARG 41 N -4.36 2.72 -4.31 3.52 0.63 -1.26 -4.94 116.66 108.65 1ici n ARG 41 Ca -0.30 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.47 1ici n ARG 41 Cb 0.68 -0.71 -0.10 0.00 0.45 0.00 0.00 32.46 32.78 1ici n ARG 41 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1ici s TYR 42 N -1.22 1.51 0.24 -0.14 1.51 -1.26 -5.03 117.35 112.95 1ici s TYR 42 Ca 0.00 -1.10 -0.19 0.00 -1.01 0.00 0.00 57.07 54.77 1ici s TYR 42 Cb 0.00 -0.89 -0.08 0.00 -0.11 0.00 0.00 41.96 40.88 1ici s TYR 42 CO 0.00 -0.25 0.73 1.03 -1.11 0.00 0.00 175.55 175.94 1ici s ARG 43 N -3.98 4.22 0.47 -0.62 0.52 -1.25 -1.40 118.95 116.90 1ici s ARG 43 Ca 0.34 0.84 0.17 0.00 -0.52 0.00 0.00 55.73 56.56 1ici s ARG 43 Cb 0.07 -2.81 1.15 0.00 0.52 0.00 0.00 34.95 33.88 1ici s ARG 43 CO 0.11 0.36 2.01 -1.00 0.02 0.00 0.00 175.30 176.80 1ici h PRO 44 N 3.25 0.25 -0.18 3.54 0.13 -1.77 -0.42 132.00 136.81 1ici h PRO 44 Ca -0.48 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 64.69 1ici h PRO 44 Cb 1.19 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1ici h PRO 44 CO 0.65 0.17 0.15 1.05 -0.23 0.00 0.00 178.00 179.79 1ici h GLU 45 N 0.26 0.00 0.00 0.86 4.11 -1.92 -0.03 114.58 117.86 1ici h GLU 45 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.66 1ici h GLU 45 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1ici h GLU 45 CO -0.05 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.42 1ici n GLU 46 N -4.13 0.19 -0.08 1.06 1.02 -0.17 -4.00 120.64 114.54 1ici n GLU 46 Ca 0.01 0.24 -0.12 0.00 -0.02 0.00 0.00 57.16 57.27 1ici n GLU 46 Cb 0.28 -1.76 -0.07 0.00 -0.02 0.00 0.00 31.44 29.87 1ici n GLU 46 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ici n LEU 47 N -2.10 2.67 -3.77 -4.62 4.77 -0.13 -4.65 117.00 109.18 1ici n LEU 47 Ca 0.05 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.57 1ici n LEU 47 Cb 0.35 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1ici n LEU 47 CO 0.26 0.69 2.43 0.00 -1.33 0.00 0.00 177.39 179.44 1ici n ALA 48 N -3.10 5.55 -3.33 -1.18 0.00 -0.58 -4.62 120.51 113.25 1ici n ALA 48 Ca -0.29 -4.04 -0.13 0.00 0.00 0.00 0.00 53.44 48.98 1ici n ALA 48 Cb 0.79 -3.31 -0.12 0.00 0.00 0.00 0.00 19.45 16.80 1ici n ALA 48 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ici s ASN 49 N 2.24 -0.28 0.34 0.00 3.84 -1.26 -3.10 114.94 116.72 1ici s ASN 49 Ca 0.45 0.54 0.08 0.00 0.21 0.00 0.00 52.86 54.14 1ici s ASN 49 Cb 0.13 0.50 0.62 0.00 -0.55 0.00 0.00 41.25 41.95 1ici s ASN 49 CO -0.05 -0.12 1.80 1.55 -2.79 0.00 0.00 177.10 177.49 1ici h PRO 50 N 6.20 0.21 -0.12 0.43 0.13 -1.88 -1.66 132.00 135.32 1ici h PRO 50 Ca -0.30 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.73 1ici h PRO 50 Cb 1.18 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ici h PRO 50 CO 0.35 0.49 -0.02 1.96 -0.23 0.00 0.00 178.00 180.55 1ici h GLN 51 N 0.19 0.23 -0.93 0.86 1.08 -1.96 -0.99 115.11 113.59 1ici h GLN 51 Ca 0.03 -0.08 0.06 0.00 -1.45 0.00 0.00 58.65 57.21 1ici h GLN 51 Cb 0.61 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.97 1ici h GLN 51 CO 0.04 0.51 0.61 0.00 -0.95 0.00 0.00 178.83 179.04 1ici h ALA 52 N 0.71 1.47 -0.48 3.87 0.00 -1.80 0.31 119.26 123.34 1ici h ALA 52 Ca 0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ici h ALA 52 Cb 0.42 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ici h ALA 52 CO 0.01 0.40 0.17 0.35 0.00 0.00 0.00 179.25 180.18 1ici h PHE 53 N 1.09 0.75 -0.28 0.00 3.57 -1.09 0.12 116.94 121.09 1ici h PHE 53 Ca 0.40 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.79 1ici h PHE 53 Cb 0.17 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1ici h PHE 53 CO -0.00 0.65 0.03 0.00 -2.23 0.00 0.00 178.31 176.75 1ici h ALA 54 N 1.02 0.38 -0.18 2.41 0.00 0.02 -2.18 119.26 120.72 1ici h ALA 54 Ca 0.16 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ici h ALA 54 Cb 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ici h ALA 54 CO -0.01 0.09 -0.10 -0.22 0.00 0.00 0.00 179.25 179.01 1ici h LYS 55 N 0.29 0.39 -2.29 0.00 3.64 -0.32 -3.41 116.57 114.87 1ici h LYS 55 Ca 0.08 -0.17 -0.57 0.00 -1.27 0.00 0.00 60.65 58.72 1ici h LYS 55 Cb 0.38 -0.01 -0.37 0.00 -0.41 0.00 0.00 32.23 31.81 1ici h LYS 55 CO 0.01 0.70 -0.97 -3.47 -2.27 0.00 0.00 179.45 173.44 1ici n ASP 56 N -4.58 -0.56 -0.35 4.20 -0.08 0.40 -5.00 116.55 110.59 1ici n ASP 56 Ca -0.05 -2.41 0.06 0.00 -1.51 0.00 0.00 54.79 50.88 1ici n ASP 56 Cb 0.32 -0.48 0.23 0.00 2.34 0.00 0.00 41.12 43.53 1ici n ASP 56 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1ici h PRO 57 N 5.50 0.93 -0.39 -0.67 0.11 -1.56 -2.59 132.00 133.34 1ici h PRO 57 Ca 0.25 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.29 1ici h PRO 57 Cb 0.91 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 1ici h PRO 57 CO 0.36 0.61 0.17 1.49 -0.21 0.00 0.00 178.00 180.43 1ici h GLU 58 N 0.95 0.57 -0.51 1.05 4.81 -1.94 0.54 114.58 120.05 1ici h GLU 58 Ca 0.48 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.59 1ici h GLU 58 Cb 0.47 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1ici h GLU 58 CO -0.27 0.52 0.20 -0.22 -0.73 0.00 0.00 179.01 178.51 1ici h LYS 59 N 0.48 0.76 -0.30 1.92 3.64 -1.86 0.90 116.57 122.11 1ici h LYS 59 Ca 0.13 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1ici h LYS 59 Cb 0.15 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1ici h LYS 59 CO -0.01 0.67 -0.10 0.28 -2.27 0.00 0.00 179.45 178.01 1ici h VAL 60 N 0.68 1.29 -0.83 2.00 2.07 -1.36 -2.33 116.25 117.76 1ici h VAL 60 Ca 0.17 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 1ici h VAL 60 Cb 0.20 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1ici h VAL 60 CO -0.01 0.38 0.41 -0.50 0.02 0.00 0.00 177.57 177.86 1ici h TRP 61 N 0.37 1.18 -0.91 1.57 -0.00 -0.76 -0.79 115.95 116.61 1ici h TRP 61 Ca 0.07 -0.05 0.04 0.00 -0.00 0.00 0.00 58.89 58.95 1ici h TRP 61 Cb 0.61 -0.37 -0.06 0.00 -0.00 0.00 0.00 29.16 29.34 1ici h TRP 61 CO 0.05 0.85 0.59 0.87 -0.00 0.00 0.00 178.44 180.80 1ici h LYS 62 N 1.17 1.09 -0.29 0.49 1.57 -0.67 0.34 116.57 120.26 1ici h LYS 62 Ca 0.29 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.96 1ici h LYS 62 Cb 0.10 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1ici h LYS 62 CO -0.04 0.72 0.04 2.35 -0.57 0.00 0.00 179.45 181.95 1ici h TRP 63 N 1.12 0.53 -0.01 -1.35 7.01 -0.81 -2.10 115.95 120.33 1ici h TRP 63 Ca 0.37 -0.08 -0.11 0.00 2.11 0.00 0.00 58.89 61.19 1ici h TRP 63 Cb 0.05 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 26.95 1ici h TRP 63 CO -0.02 0.60 -0.50 1.88 -2.79 0.00 0.00 178.44 177.61 1ici h TYR 64 N 0.30 0.04 -0.55 2.65 -1.99 -0.65 -1.36 116.97 115.41 1ici h TYR 64 Ca 0.09 -0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.71 1ici h TYR 64 Cb 0.36 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.07 1ici h TYR 64 CO 0.03 0.53 -0.03 0.00 -0.00 0.00 0.00 178.16 178.68 1ici h ALA 65 N 1.47 0.74 -0.29 3.88 0.00 -0.19 0.27 119.26 125.15 1ici h ALA 65 Ca -0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1ici h ALA 65 Cb 0.89 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1ici h ALA 65 CO 0.07 0.60 0.08 2.35 0.00 0.00 0.00 179.25 182.35 1ici h TRP 66 N 0.87 0.47 -0.50 0.00 7.01 -1.19 -0.78 115.95 121.83 1ici h TRP 66 Ca 0.15 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 1ici h TRP 66 Cb 0.58 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.48 1ici h TRP 66 CO 0.04 0.50 0.26 0.00 -2.79 0.00 0.00 178.44 176.46 1ici h ARG 67 N 0.30 0.70 0.22 2.65 3.08 -0.94 -2.33 114.38 118.06 1ici h ARG 67 Ca 0.09 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ici h ARG 67 Cb 0.26 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1ici h ARG 67 CO -0.00 0.56 -0.16 0.52 -1.07 0.00 0.00 179.97 179.82 1ici h MET 68 N 0.66 -0.37 -0.91 0.04 2.86 -0.28 0.95 114.93 117.88 1ici h MET 68 Ca 0.17 0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.94 1ici h MET 68 Cb 0.07 0.08 -0.08 0.00 0.06 0.00 0.00 31.60 31.74 1ici h MET 68 CO -0.03 -0.25 0.55 1.49 1.06 0.00 0.00 176.91 179.74 1ici h GLU 69 N -0.38 0.88 -0.34 1.72 4.81 -1.06 0.24 114.58 120.46 1ici h GLU 69 Ca -0.01 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 1ici h GLU 69 Cb 0.33 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1ici h GLU 69 CO -0.00 0.58 -0.07 -0.22 -0.73 0.00 0.00 179.01 178.57 1ici h LYS 70 N 0.91 0.64 0.04 1.92 3.64 -1.01 -2.71 116.57 120.00 1ici h LYS 70 Ca 0.44 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1ici h LYS 70 Cb 0.39 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1ici h LYS 70 CO -0.25 0.81 -0.02 0.28 -2.27 0.00 0.00 179.45 178.01 1ici h VAL 71 N 0.43 1.10 -0.09 2.00 2.07 0.19 -2.49 116.25 119.46 1ici h VAL 71 Ca 0.09 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1ici h VAL 71 Cb 0.57 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1ici h VAL 71 CO 0.03 0.11 0.07 -0.26 0.02 0.00 0.00 177.57 177.55 1ici h PHE 72 N -0.24 0.00 -0.30 1.57 0.05 -0.61 -2.03 116.94 115.38 1ici h PHE 72 Ca -0.01 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.78 1ici h PHE 72 Cb 0.22 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.17 1ici h PHE 72 CO -0.01 0.00 0.00 0.09 -0.18 0.00 0.00 178.31 178.21 1ici n ASN 73 N -4.26 3.13 -4.94 2.17 3.02 -1.02 -4.95 115.26 108.41 1ici n ASN 73 Ca -0.01 -1.95 -0.24 0.00 -0.03 0.00 0.00 54.58 52.35 1ici n ASN 73 Cb 0.18 -0.19 0.04 0.00 -0.61 0.00 0.00 39.78 39.20 1ici n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ici s ALA 74 N -1.62 3.53 0.10 5.41 0.00 -0.76 -5.07 121.76 123.35 1ici s ALA 74 Ca 0.36 -1.02 0.10 0.00 0.00 0.00 0.00 51.96 51.40 1ici s ALA 74 Cb 0.22 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 1ici s ALA 74 CO 0.31 -0.86 -0.26 -0.65 0.00 0.00 0.00 175.76 174.29 1ici s GLN 75 N -4.92 1.55 0.46 0.00 -1.52 -1.26 -5.03 119.66 108.93 1ici s GLN 75 Ca 0.56 -1.27 -0.25 0.00 -1.95 0.00 0.00 55.36 52.46 1ici s GLN 75 Cb -0.10 -1.94 -0.08 0.00 -0.22 0.00 0.00 33.01 30.68 1ici s GLN 75 CO 0.42 0.47 1.38 -2.14 -0.25 0.00 0.00 175.29 175.16 1ici s PRO 76 N -1.80 3.62 0.22 2.91 0.02 -1.26 -4.70 135.00 134.01 1ici s PRO 76 Ca 0.13 2.30 0.03 0.00 0.02 0.00 0.00 61.00 63.48 1ici s PRO 76 Cb -0.10 -2.58 0.03 0.00 0.02 0.00 0.00 34.50 31.88 1ici s PRO 76 CO 0.05 -0.82 0.29 0.27 -0.33 0.00 0.00 177.00 176.45 1ici n ASN 77 N -0.33 0.94 0.18 2.53 0.23 -1.26 -4.89 115.26 112.66 1ici n ASN 77 Ca 0.06 -1.61 0.15 0.00 -0.53 0.00 0.00 54.58 52.65 1ici n ASN 77 Cb 0.43 -0.14 0.75 0.00 -2.08 0.00 0.00 39.78 38.74 1ici n ASN 77 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 1ici h LYS 78 N 0.00 0.00 0.17 -3.83 1.57 -1.91 -1.06 116.57 111.51 1ici h LYS 78 Ca -0.11 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1ici h LYS 78 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1ici h LYS 78 CO 0.16 0.00 -0.08 0.00 -0.57 0.00 0.00 179.45 178.96 1ici h ALA 79 N 1.85 -0.23 -0.59 3.86 0.00 -1.77 0.22 119.26 122.60 1ici h ALA 79 Ca 0.09 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.88 1ici h ALA 79 Cb 0.42 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1ici h ALA 79 CO -0.00 -0.34 0.16 0.45 0.00 0.00 0.00 179.25 179.52 1ici h HIS 80 N -0.81 0.27 -0.21 0.00 3.86 -1.72 0.17 115.15 116.70 1ici h HIS 80 Ca -0.02 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1ici h HIS 80 Cb 0.52 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 1ici h HIS 80 CO 0.08 0.02 0.13 1.96 0.86 0.00 0.00 177.93 180.97 1ici h GLN 81 N 0.31 0.28 -0.80 2.45 4.20 -1.21 -1.31 115.11 119.04 1ici h GLN 81 Ca 0.31 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 59.05 1ici h GLN 81 Cb 0.43 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 1ici h GLN 81 CO -0.36 0.22 0.53 0.00 -0.67 0.00 0.00 178.83 178.55 1ici h ALA 82 N 1.05 1.59 -0.27 3.87 0.00 0.11 -0.49 119.26 125.12 1ici h ALA 82 Ca 0.08 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1ici h ALA 82 Cb 0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1ici h ALA 82 CO -0.01 0.30 -0.51 0.74 0.00 0.00 0.00 179.25 179.76 1ici h PHE 83 N 0.90 0.95 -0.13 0.00 -1.00 -0.41 -1.45 116.94 115.79 1ici h PHE 83 Ca 0.34 -0.32 -0.00 0.00 2.81 0.00 0.00 57.97 60.79 1ici h PHE 83 Cb 0.18 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.55 1ici h PHE 83 CO -0.00 1.11 0.08 0.00 -1.61 0.00 0.00 178.31 177.89 1ici h ALA 84 N 0.82 0.17 -0.32 2.45 0.00 -0.41 -2.04 119.26 119.93 1ici h ALA 84 Ca 0.02 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1ici h ALA 84 Cb 1.09 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1ici h ALA 84 CO 0.11 -0.32 0.13 0.93 0.00 0.00 0.00 179.25 180.11 1ici h GLU 85 N 0.14 0.28 -0.47 0.00 4.39 -1.04 -1.29 114.58 116.58 1ici h GLU 85 Ca 0.05 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.84 1ici h GLU 85 Cb 0.04 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 1ici h GLU 85 CO -0.01 0.18 0.33 1.25 -1.16 0.00 0.00 179.01 179.61 1ici h LEU 86 N 0.29 0.14 -0.20 1.33 5.85 -1.02 0.14 115.31 121.83 1ici h LEU 86 Ca 0.14 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.66 1ici h LEU 86 Cb 0.08 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1ici h LEU 86 CO -0.12 0.08 -0.92 -0.08 -0.34 0.00 0.00 178.44 177.06 1ici h GLU 87 N 0.15 0.10 -0.42 1.25 4.81 -0.56 -0.53 114.58 119.38 1ici h GLU 87 Ca 0.22 -0.13 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 1ici h GLU 87 Cb 0.68 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1ici h GLU 87 CO -0.03 0.95 -0.21 -0.09 -0.73 0.00 0.00 179.01 178.90 1ici h ARG 88 N 0.05 0.83 0.00 1.92 1.12 0.27 -2.37 114.38 116.20 1ici h ARG 88 Ca -0.03 -0.33 0.00 0.00 -1.11 0.00 0.00 59.98 58.50 1ici h ARG 88 Cb 1.59 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.51 1ici h ARG 88 CO 0.13 0.96 0.00 1.28 -3.11 0.00 0.00 179.97 179.23 1ici n LEU 89 N -4.12 0.00 0.00 3.80 4.77 -0.29 -4.87 117.00 116.29 1ici n LEU 89 Ca 0.00 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1ici n LEU 89 Cb 0.43 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1ici n LEU 89 CO 0.45 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1ici n GLY 90 N 0.55 0.50 0.10 -0.72 0.00 -0.89 -4.91 105.19 99.81 1ici n GLY 90 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 1ici n GLY 90 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ici h VAL 91 N 0.00 1.30 -3.39 1.61 2.07 -1.54 -3.44 116.25 112.86 1ici h VAL 91 Ca 0.00 -2.31 -0.59 0.00 0.82 0.00 0.00 66.70 64.62 1ici h VAL 91 Cb 0.13 2.82 -0.09 0.00 -1.52 0.00 0.00 31.29 32.63 1ici h VAL 91 CO 0.00 0.53 0.61 -0.22 0.02 0.00 0.00 177.57 178.51 1ici s LEU 92 N -7.93 4.01 0.02 2.57 2.96 -0.30 -3.63 118.68 116.38 1ici s LEU 92 Ca -0.22 0.80 0.10 0.00 -0.22 0.00 0.00 54.13 54.58 1ici s LEU 92 Cb 0.02 -3.30 -0.22 0.00 0.50 0.00 0.00 46.19 43.19 1ici s LEU 92 CO 0.68 -0.77 0.90 0.11 -1.32 0.00 0.00 176.35 175.95 1ici h LYS 93 N 8.18 0.01 -1.72 1.98 1.79 -1.06 -3.39 116.57 122.35 1ici h LYS 93 Ca -0.23 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.27 1ici h LYS 93 Cb 1.08 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.49 1ici h LYS 93 CO 0.96 0.70 0.38 0.00 -1.08 0.00 0.00 179.45 180.40 1ici s LEU 95 N -0.08 2.30 -0.14 0.00 0.20 -0.66 -1.69 118.68 118.62 1ici s LEU 95 Ca 0.00 -0.50 -0.02 0.00 0.69 0.00 0.00 54.13 54.31 1ici s LEU 95 Cb -0.04 -1.49 -0.02 0.00 -0.43 0.00 0.00 46.19 44.21 1ici s LEU 95 CO -0.02 0.14 -0.07 -0.63 -0.29 0.00 0.00 176.35 175.48 1ici s ILE 96 N 0.47 3.59 0.03 6.68 1.01 0.55 -0.67 121.20 132.85 1ici s ILE 96 Ca -0.13 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.07 1ici s ILE 96 Cb -0.17 -2.54 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 1ici s ILE 96 CO 0.05 0.52 -0.10 0.28 0.00 0.00 0.00 174.94 175.69 1ici s THR 97 N 0.22 0.79 -0.54 2.92 -1.32 -0.28 -1.26 115.64 116.16 1ici s THR 97 Ca -0.05 -0.84 0.23 0.00 -1.21 0.00 0.00 61.69 59.83 1ici s THR 97 Cb -0.14 -0.74 -0.01 0.00 -1.51 0.00 0.00 72.50 70.09 1ici s THR 97 CO 0.04 -0.08 1.17 0.00 -2.21 0.00 0.00 174.62 173.54 1ici n GLN 98 N 2.02 0.36 -2.08 7.08 6.02 -0.52 -1.73 117.38 128.53 1ici n GLN 98 Ca -0.18 0.06 -0.39 0.00 -0.01 0.00 0.00 57.00 56.48 1ici n GLN 98 Cb 0.55 -1.69 -0.01 0.00 1.02 0.00 0.00 30.24 30.12 1ici n GLN 98 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1ici s ASN 99 N -4.37 6.37 0.00 1.08 0.01 -1.26 -4.44 114.94 112.33 1ici s ASN 99 Ca 0.04 2.63 0.24 0.00 -0.71 0.00 0.00 52.86 55.06 1ici s ASN 99 Cb 0.13 -2.64 0.27 0.00 0.41 0.00 0.00 41.25 39.43 1ici s ASN 99 CO 0.76 -0.81 1.30 1.33 -1.51 0.00 0.00 177.10 178.17 1ici n VAL 100 N 0.18 0.00 -1.95 1.60 0.24 -1.26 -4.79 118.33 112.34 1ici n VAL 100 Ca 0.03 -0.43 -0.28 0.00 -2.04 0.00 0.00 64.34 61.62 1ici n VAL 100 Cb 0.44 1.32 0.09 0.00 -1.47 0.00 0.00 33.84 34.22 1ici n VAL 100 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1ici s ASP 101 N -2.08 4.54 -0.19 -1.34 1.47 -1.26 -0.23 116.67 117.57 1ici s ASP 101 Ca 0.28 0.72 0.15 0.00 1.18 0.00 0.00 52.55 54.88 1ici s ASP 101 Cb 0.20 -1.23 0.45 0.00 -0.34 0.00 0.00 42.92 41.99 1ici s ASP 101 CO 0.35 -1.87 1.34 -0.90 0.68 0.00 0.00 175.17 174.77 1ici n ASP 102 N -3.26 2.97 0.24 2.11 5.75 -1.26 -4.74 116.55 118.37 1ici n ASP 102 Ca 0.08 -3.27 0.09 0.00 -0.01 0.00 0.00 54.79 51.68 1ici n ASP 102 Cb 0.61 -0.53 0.60 0.00 -1.03 0.00 0.00 41.12 40.77 1ici n ASP 102 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1ici h LEU 103 N 1.04 0.00 0.77 -2.12 3.38 -1.94 -1.77 115.31 114.67 1ici h LEU 103 Ca 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1ici h LEU 103 Cb 1.33 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.08 1ici h LEU 103 CO 0.18 0.18 -0.37 0.45 0.09 0.00 0.00 178.44 178.96 1ici h HIS 104 N 0.00 -0.96 0.00 1.13 3.86 -1.93 -1.48 115.15 115.76 1ici h HIS 104 Ca -0.00 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 1ici h HIS 104 Cb 0.39 0.32 -0.00 0.00 1.06 0.00 0.00 27.41 29.17 1ici h HIS 104 CO 0.00 -0.60 -0.11 1.05 0.86 0.00 0.00 177.93 179.13 1ici h GLU 105 N -1.27 0.00 0.00 2.45 9.09 -1.73 0.02 114.58 123.13 1ici h GLU 105 Ca -0.11 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.22 1ici h GLU 105 Cb 0.80 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.88 1ici h GLU 105 CO 0.17 0.11 -0.42 -0.09 0.05 0.00 0.00 179.01 178.84 1ici h ARG 106 N 0.00 0.00 -0.00 1.06 2.43 -1.28 -1.99 114.38 114.60 1ici h ARG 106 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ici h ARG 106 Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1ici h ARG 106 CO 0.01 0.42 -0.06 0.00 -1.51 0.00 0.00 179.97 178.83 1ici n ALA 107 N -2.26 2.58 0.00 2.80 0.00 -0.05 -4.91 120.51 118.67 1ici n ALA 107 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1ici n ALA 107 Cb 0.59 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1ici n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ici n GLY 108 N 1.34 2.04 3.62 0.00 0.00 -0.75 -4.84 105.19 106.60 1ici n GLY 108 Ca 0.12 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.61 1ici n GLY 108 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ici n SER 109 N 0.00 1.80 -0.10 1.61 7.64 -0.91 -4.89 113.62 118.77 1ici n SER 109 Ca 0.00 1.11 -0.17 0.00 1.01 0.00 0.00 58.87 60.82 1ici n SER 109 Cb 0.00 -1.17 -0.08 0.00 -1.01 0.00 0.00 64.21 61.95 1ici n SER 109 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1ici n ARG 110 N 3.25 0.53 -3.01 1.43 1.74 -1.26 -4.25 116.66 115.09 1ici n ARG 110 Ca 0.21 0.50 -0.44 0.00 -0.77 0.00 0.00 57.85 57.35 1ici n ARG 110 Cb 0.17 -1.68 -0.03 0.00 -1.02 0.00 0.00 32.46 29.90 1ici n ARG 110 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1ici s ASN 111 N -6.53 6.54 -0.10 0.55 2.47 -1.26 -4.99 114.94 111.62 1ici s ASN 111 Ca -0.26 -1.95 0.01 0.00 0.42 0.00 0.00 52.86 51.08 1ici s ASN 111 Cb 0.06 -2.36 0.02 0.00 -1.45 0.00 0.00 41.25 37.52 1ici s ASN 111 CO 0.46 -1.03 -0.11 -0.69 -3.72 0.00 0.00 177.10 172.00 1ici s VAL 112 N 2.42 1.21 -0.23 -5.21 1.01 -1.26 -1.65 120.40 116.69 1ici s VAL 112 Ca 0.26 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 1ici s VAL 112 Cb -0.10 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1ici s VAL 112 CO -0.05 0.39 0.09 -0.63 0.00 0.00 0.00 175.10 174.89 1ici s ILE 113 N 1.16 4.67 -0.56 2.22 1.01 0.15 -5.01 121.20 124.84 1ici s ILE 113 Ca -0.05 -0.06 -0.17 0.00 0.00 0.00 0.00 60.65 60.37 1ici s ILE 113 Cb -0.14 -3.16 0.11 0.00 0.01 0.00 0.00 42.46 39.29 1ici s ILE 113 CO -0.03 0.38 0.59 -1.00 0.00 0.00 0.00 174.94 174.87 1ici s HIS 114 N 1.11 3.14 0.38 3.97 3.76 -1.26 -1.12 115.29 125.26 1ici s HIS 114 Ca 0.05 -1.11 0.08 0.00 -0.15 0.00 0.00 55.06 53.92 1ici s HIS 114 Cb -0.14 -3.86 0.76 0.00 1.11 0.00 0.00 32.58 30.45 1ici s HIS 114 CO 0.04 -1.13 1.94 -0.07 -0.85 0.00 0.00 174.74 174.66 1ici h LEU 115 N 9.37 0.35 -3.10 0.89 4.07 -1.67 -3.18 115.31 122.04 1ici h LEU 115 Ca -0.30 -0.05 -0.03 0.00 0.08 0.00 0.00 57.88 57.57 1ici h LEU 115 Cb 1.09 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.72 1ici h LEU 115 CO 1.06 0.42 -0.18 1.41 -1.08 0.00 0.00 178.44 180.07 1ici n HIS 116 N -4.32 0.33 -4.05 1.13 8.25 -1.26 -4.74 115.22 110.56 1ici n HIS 116 Ca 0.01 -1.27 0.00 0.00 -0.26 0.00 0.00 57.72 56.20 1ici n HIS 116 Cb 0.22 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.06 1ici n HIS 116 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ici n GLY 117 N -1.15 -1.64 3.27 -1.41 0.00 -1.20 -1.17 105.19 101.88 1ici n GLY 117 Ca 0.21 -1.33 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 1ici n GLY 117 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ici s SER 118 N -4.00 -0.33 0.54 1.61 0.15 -0.92 -4.39 113.70 106.37 1ici s SER 118 Ca 0.00 0.49 0.35 0.00 0.70 0.00 0.00 55.95 57.49 1ici s SER 118 Cb 0.00 0.58 1.59 0.00 -1.71 0.00 0.00 66.02 66.49 1ici s SER 118 CO 0.00 -0.28 2.05 -0.07 1.20 0.00 0.00 173.24 176.14 1ici h LEU 119 N 4.76 0.00 -1.06 3.45 3.38 -0.90 -1.93 115.31 123.01 1ici h LEU 119 Ca -0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1ici h LEU 119 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1ici h LEU 119 CO 0.33 0.00 -0.07 0.03 0.09 0.00 0.00 178.44 178.82 1ici h ARG 120 N 0.00 0.00 -5.61 1.13 2.47 -1.90 -3.44 114.38 107.03 1ici h ARG 120 Ca 0.00 0.00 -0.63 0.00 -1.26 0.00 0.00 59.98 58.09 1ici h ARG 120 Cb 0.35 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.59 1ici h ARG 120 CO 0.00 0.07 -0.41 0.08 0.56 0.00 0.00 179.97 180.27 1ici s VAL 121 N -3.56 5.37 0.02 2.04 1.01 -0.72 -0.79 120.40 123.76 1ici s VAL 121 Ca 0.02 0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.41 1ici s VAL 121 Cb 0.08 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 1ici s VAL 121 CO 0.59 0.54 -0.10 -0.69 0.00 0.00 0.00 175.10 175.45 1ici s VAL 122 N -0.53 0.77 0.01 2.92 1.01 -0.34 0.11 120.40 124.34 1ici s VAL 122 Ca 0.16 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 1ici s VAL 122 Cb -0.13 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.56 1ici s VAL 122 CO 0.05 0.01 0.20 0.00 0.00 0.00 0.00 175.10 175.36 1ici s ARG 123 N -0.77 0.60 0.03 2.72 1.70 -0.67 -1.52 118.95 121.04 1ici s ARG 123 Ca 0.00 -0.42 -0.30 0.00 -0.47 0.00 0.00 55.73 54.54 1ici s ARG 123 Cb -0.06 0.25 -0.05 0.00 -0.57 0.00 0.00 34.95 34.52 1ici s ARG 123 CO 0.00 -0.16 1.26 0.00 -1.08 0.00 0.00 175.30 175.33 1ici n THR 125 N 4.21 0.84 -0.05 0.00 -2.24 -0.74 -1.87 114.28 114.42 1ici n THR 125 Ca 0.10 0.21 -0.10 0.00 -2.27 0.00 0.00 64.05 61.99 1ici n THR 125 Cb 0.45 -0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 67.72 1ici n THR 125 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1ici n SER 126 N -1.55 1.24 -0.39 3.42 2.88 -1.26 -4.74 113.62 113.22 1ici n SER 126 Ca 0.04 0.20 0.13 0.00 -1.33 0.00 0.00 58.87 57.91 1ici n SER 126 Cb 0.20 -0.47 0.27 0.00 -0.75 0.00 0.00 64.21 63.46 1ici n SER 126 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ici n ASN 128 N -0.25 -2.37 -4.73 0.00 3.02 -0.78 -4.97 115.26 105.19 1ici n ASN 128 Ca 0.12 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.27 1ici n ASN 128 Cb 0.40 -2.15 0.02 0.00 -0.61 0.00 0.00 39.78 37.44 1ici n ASN 128 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ici n ASN 129 N -0.33 2.81 -3.98 6.41 5.15 -1.26 -4.57 115.26 119.49 1ici n ASN 129 Ca 0.00 1.09 -0.18 0.00 -0.60 0.00 0.00 54.58 54.89 1ici n ASN 129 Cb 0.16 -1.54 -0.15 0.00 -0.53 0.00 0.00 39.78 37.72 1ici n ASN 129 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1ici s SER 130 N -0.56 0.90 0.24 1.20 0.15 -1.26 -0.29 113.70 114.08 1ici s SER 130 Ca 0.62 -0.14 -0.15 0.00 0.70 0.00 0.00 55.95 56.98 1ici s SER 130 Cb -0.48 -0.15 0.01 0.00 -1.71 0.00 0.00 66.02 63.69 1ici s SER 130 CO 0.57 0.07 0.54 0.72 1.20 0.00 0.00 173.24 176.34 1ici s PHE 131 N -0.02 0.14 0.05 3.44 -0.12 -0.58 -5.01 117.98 115.88 1ici s PHE 131 Ca 0.01 -0.53 0.01 0.00 -0.05 0.00 0.00 56.93 56.37 1ici s PHE 131 Cb -0.05 0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 42.64 1ici s PHE 131 CO -0.00 -1.03 0.11 -1.21 -0.05 0.00 0.00 175.22 173.05 1ici s GLU 132 N -3.97 3.09 0.25 1.99 2.02 -1.26 -1.20 118.70 119.62 1ici s GLU 132 Ca 0.17 -0.56 0.11 0.00 0.02 0.00 0.00 54.97 54.72 1ici s GLU 132 Cb -0.02 -2.85 -0.05 0.00 0.10 0.00 0.00 34.13 31.31 1ici s GLU 132 CO 0.06 0.60 -0.18 0.14 0.02 0.00 0.00 175.26 175.91 1ici s VAL 133 N -1.36 2.64 -0.03 2.63 -7.23 0.03 -4.97 120.40 112.11 1ici s VAL 133 Ca 0.29 -2.18 0.15 0.00 -1.81 0.00 0.00 61.98 58.42 1ici s VAL 133 Cb -0.12 -2.35 -0.23 0.00 0.56 0.00 0.00 36.38 34.24 1ici s VAL 133 CO 0.21 -0.30 0.31 -0.62 -0.31 0.00 0.00 175.10 174.38 1ici n GLU 134 N -0.37 0.57 -4.14 4.82 1.02 -1.26 -4.88 120.64 116.40 1ici n GLU 134 Ca -0.08 -0.13 -0.12 0.00 -0.02 0.00 0.00 57.16 56.81 1ici n GLU 134 Cb 0.58 -1.36 -0.11 0.00 -0.02 0.00 0.00 31.44 30.54 1ici n GLU 134 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1ici s SER 135 N -3.83 1.15 0.47 1.62 1.04 -1.26 -5.01 113.70 107.88 1ici s SER 135 Ca -0.06 -0.82 -0.20 0.00 0.48 0.00 0.00 55.95 55.36 1ici s SER 135 Cb 0.09 0.05 -0.09 0.00 0.10 0.00 0.00 66.02 66.17 1ici s SER 135 CO 0.62 -0.33 0.99 0.00 0.98 0.00 0.00 173.24 175.50 1ici s ALA 136 N -2.64 2.97 0.46 5.32 0.00 -1.26 -5.04 121.76 121.58 1ici s ALA 136 Ca 0.04 0.43 -0.14 0.00 0.00 0.00 0.00 51.96 52.29 1ici s ALA 136 Cb -0.01 -3.18 -0.07 0.00 0.00 0.00 0.00 23.12 19.85 1ici s ALA 136 CO -0.02 -0.13 0.89 -1.25 0.00 0.00 0.00 175.76 175.25 1ici s PRO 137 N -3.39 3.89 -0.25 0.00 0.04 -1.26 -5.00 135.00 129.03 1ici s PRO 137 Ca 0.63 0.76 -0.15 0.00 0.04 0.00 0.00 61.00 62.28 1ici s PRO 137 Cb -0.12 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 1ici s PRO 137 CO 0.20 -0.16 0.36 0.21 0.04 0.00 0.00 177.00 177.65 1ici s LYS 138 N -3.93 4.06 -0.12 4.56 2.20 -1.26 -4.85 119.74 120.40 1ici s LYS 138 Ca 0.56 0.06 0.01 0.00 -0.36 0.00 0.00 55.97 56.23 1ici s LYS 138 Cb -0.10 -3.62 0.16 0.00 -1.51 0.00 0.00 37.83 32.76 1ici s LYS 138 CO 0.31 -0.19 1.39 -0.89 -0.36 0.00 0.00 175.35 175.61 1ici n ILE 139 N 4.86 1.73 -0.32 5.43 2.08 -1.26 -4.20 119.36 127.68 1ici n ILE 139 Ca -0.09 -0.61 -0.05 0.00 0.56 0.00 0.00 62.75 62.56 1ici n ILE 139 Cb 0.51 -0.98 0.08 0.00 -0.75 0.00 0.00 39.64 38.49 1ici n ILE 139 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1ici h PRO 140 N 0.46 1.23 -6.43 0.38 0.13 -2.02 -3.42 132.00 122.34 1ici h PRO 140 Ca 0.16 -0.18 -0.62 0.00 -0.87 0.00 0.00 66.00 64.48 1ici h PRO 140 Cb 1.36 -0.22 -0.13 0.00 0.13 0.00 0.00 31.00 32.13 1ici h PRO 140 CO 0.30 0.95 -0.71 -1.25 -0.23 0.00 0.00 178.00 177.06 1ici s PRO 141 N -5.70 2.16 0.25 1.56 0.04 -1.26 -5.10 135.00 126.94 1ici s PRO 141 Ca -0.13 -1.20 -0.30 0.00 0.04 0.00 0.00 61.00 59.42 1ici s PRO 141 Cb 0.16 -2.23 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1ici s PRO 141 CO 0.84 0.45 1.25 -0.51 0.04 0.00 0.00 177.00 179.06 1ici s LEU 142 N -2.80 4.45 0.23 -3.56 1.43 -1.26 -4.94 118.68 112.23 1ici s LEU 142 Ca 0.25 2.42 -0.31 0.00 -1.03 0.00 0.00 54.13 55.46 1ici s LEU 142 Cb -0.09 -3.62 -0.11 0.00 0.03 0.00 0.00 46.19 42.39 1ici s LEU 142 CO 0.16 -0.42 1.66 -2.84 0.23 0.00 0.00 176.35 175.13 1ici s PRO 143 N -0.83 4.14 0.07 1.29 0.02 -1.26 -4.95 135.00 133.48 1ici s PRO 143 Ca 0.52 2.56 0.06 0.00 0.02 0.00 0.00 61.00 64.15 1ici s PRO 143 Cb -0.36 -3.07 -0.03 0.00 0.02 0.00 0.00 34.50 31.06 1ici s PRO 143 CO 0.42 -0.69 -0.16 0.15 -0.33 0.00 0.00 177.00 176.40 1ici s LYS 144 N 0.66 0.91 0.14 5.54 1.02 -1.26 -1.17 119.74 125.58 1ici s LYS 144 Ca 0.70 -0.95 -0.31 0.00 0.02 0.00 0.00 55.97 55.43 1ici s LYS 144 Cb -0.48 -0.97 -0.10 0.00 -0.52 0.00 0.00 37.83 35.76 1ici s LYS 144 CO 0.37 0.22 1.63 0.00 -0.92 0.00 0.00 175.35 176.65 1ici h ASP 146 N 7.40 0.97 1.03 0.00 3.32 -1.94 1.15 116.42 128.35 1ici h ASP 146 Ca -0.43 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 56.28 1ici h ASP 146 Cb 1.20 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.49 1ici h ASP 146 CO 0.93 1.05 -0.15 0.11 -1.72 0.00 0.00 179.24 179.45 1ici h LYS 147 N 0.87 0.00 0.00 3.56 1.57 -1.98 -3.37 116.57 117.22 1ici h LYS 147 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1ici h LYS 147 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1ici h LYS 147 CO 0.03 0.15 0.00 0.00 -0.57 0.00 0.00 179.45 179.06 1ici n GLY 149 N 0.00 0.41 3.78 0.00 0.00 0.39 -4.95 105.19 104.83 1ici n GLY 149 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1ici n GLY 149 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ici s SER 150 N -2.39 2.90 0.05 1.61 0.01 -1.26 -4.35 113.70 110.28 1ici s SER 150 Ca 0.00 0.74 -0.31 0.00 1.31 0.00 0.00 55.95 57.70 1ici s SER 150 Cb 0.00 -1.13 -0.06 0.00 0.21 0.00 0.00 66.02 65.04 1ici s SER 150 CO 0.00 -2.91 1.27 -0.22 0.41 0.00 0.00 173.24 171.80 1ici s LEU 151 N -6.19 4.35 0.59 2.44 2.96 -1.26 0.11 118.68 121.69 1ici s LEU 151 Ca 0.67 2.08 -0.04 0.00 -0.22 0.00 0.00 54.13 56.62 1ici s LEU 151 Cb -0.11 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.02 1ici s LEU 151 CO 0.54 -0.56 0.88 -0.76 -1.32 0.00 0.00 176.35 175.12 1ici s LEU 152 N 1.39 3.19 0.07 -0.68 1.43 -0.32 -1.80 118.68 121.96 1ici s LEU 152 Ca 0.61 0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 54.11 1ici s LEU 152 Cb -0.31 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1ici s LEU 152 CO 0.28 -1.15 0.21 0.00 0.23 0.00 0.00 176.35 175.92 1ici s ARG 153 N -4.96 0.79 0.32 1.70 1.70 -0.42 -4.82 118.95 113.27 1ici s ARG 153 Ca 0.55 -0.78 -0.29 0.00 -0.47 0.00 0.00 55.73 54.74 1ici s ARG 153 Cb -0.10 0.33 -0.11 0.00 -0.57 0.00 0.00 34.95 34.50 1ici s ARG 153 CO 0.43 -0.25 1.44 -2.14 -1.08 0.00 0.00 175.30 173.70 1ici s PRO 154 N -3.25 4.22 -0.02 3.89 0.02 -1.26 -1.67 135.00 136.93 1ici s PRO 154 Ca 0.00 2.40 -0.04 0.00 0.02 0.00 0.00 61.00 63.38 1ici s PRO 154 Cb 0.02 -3.04 -0.17 0.00 0.02 0.00 0.00 34.50 31.33 1ici s PRO 154 CO -0.08 -0.42 3.09 0.41 -0.33 0.00 0.00 177.00 179.67 1ici n GLY 155 N 1.25 2.93 3.77 0.52 0.00 0.30 -4.78 105.19 109.19 1ici n GLY 155 Ca 0.03 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 1ici n GLY 155 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ici s VAL 156 N 0.52 2.47 -0.31 1.61 -7.23 -1.26 -2.16 120.40 114.04 1ici s VAL 156 Ca 0.47 -1.60 -0.11 0.00 -1.81 0.00 0.00 61.98 58.92 1ici s VAL 156 Cb 0.23 -3.00 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 1ici s VAL 156 CO -0.01 -0.02 0.18 -0.69 -0.31 0.00 0.00 175.10 174.26 1ici s VAL 157 N -2.55 4.97 0.57 1.32 1.01 -0.32 -4.91 120.40 120.49 1ici s VAL 157 Ca 0.43 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 1ici s VAL 157 Cb 0.01 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 32.94 1ici s VAL 157 CO 0.24 0.11 0.84 0.26 0.00 0.00 0.00 175.10 176.54 1ici s TRP 158 N 1.68 3.03 0.33 5.22 0.51 -1.26 -4.92 118.94 123.53 1ici s TRP 158 Ca 0.06 0.28 -0.29 0.00 -2.12 0.00 0.00 56.10 54.03 1ici s TRP 158 Cb -0.17 -2.76 -0.10 0.00 -0.81 0.00 0.00 33.47 29.63 1ici s TRP 158 CO 0.09 -0.88 1.33 0.12 -0.51 0.00 0.00 176.95 177.09 1ici s PHE 159 N -2.88 3.00 0.00 -1.98 5.36 -1.18 -2.07 117.98 118.23 1ici s PHE 159 Ca 0.55 1.38 0.00 0.00 -0.96 0.00 0.00 56.93 57.90 1ici s PHE 159 Cb -0.10 -3.72 0.00 0.00 -0.34 0.00 0.00 43.02 38.85 1ici s PHE 159 CO 0.41 -2.01 0.00 0.41 -1.46 0.00 0.00 175.22 172.58 1ici n GLY 160 N 0.81 0.67 3.54 13.12 0.00 -1.26 -4.39 105.19 117.68 1ici n GLY 160 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1ici n GLY 160 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ici s GLU 161 N -0.73 2.02 0.48 1.61 2.02 -0.88 -5.04 118.70 118.17 1ici s GLU 161 Ca 0.00 -1.07 -0.20 0.00 0.02 0.00 0.00 54.97 53.72 1ici s GLU 161 Cb 0.00 -2.24 -0.09 0.00 0.10 0.00 0.00 34.13 31.90 1ici s GLU 161 CO 0.00 0.50 1.02 -1.64 0.02 0.00 0.00 175.26 175.16 1ici s MET 162 N -2.15 3.90 0.56 1.61 -1.94 -1.26 -4.84 119.30 115.18 1ici s MET 162 Ca 0.20 1.29 -0.15 0.00 -1.71 0.00 0.00 55.69 55.31 1ici s MET 162 Cb -0.11 -2.11 -0.06 0.00 2.01 0.00 0.00 34.83 34.56 1ici s MET 162 CO 0.12 -0.34 1.02 -0.51 -0.01 0.00 0.00 175.02 175.30 1ici s LEU 163 N -3.45 3.52 0.11 -0.03 1.43 -1.26 -4.93 118.68 114.06 1ici s LEU 163 Ca 0.66 1.63 -0.31 0.00 -1.03 0.00 0.00 54.13 55.08 1ici s LEU 163 Cb -0.14 -4.51 -0.10 0.00 0.03 0.00 0.00 46.19 41.47 1ici s LEU 163 CO 0.19 -0.83 1.83 -2.84 0.23 0.00 0.00 176.35 174.92 1ici s PRO 164 N -4.25 4.14 0.23 1.29 0.02 -1.26 -4.85 135.00 130.32 1ici s PRO 164 Ca 0.60 2.57 -0.08 0.00 0.02 0.00 0.00 61.00 64.10 1ici s PRO 164 Cb -0.12 -3.66 0.36 0.00 0.02 0.00 0.00 34.50 31.11 1ici s PRO 164 CO 0.37 -0.84 1.68 -1.35 -0.33 0.00 0.00 177.00 176.52 1ici h PRO 165 N 8.78 0.19 -0.36 5.54 0.11 -1.99 -0.71 132.00 143.57 1ici h PRO 165 Ca -0.46 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1ici h PRO 165 Cb 1.22 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1ici h PRO 165 CO 0.95 0.13 -0.02 0.22 -0.21 0.00 0.00 178.00 179.06 1ici h ASP 166 N 0.20 0.54 -0.47 -2.05 3.58 -1.98 0.40 116.42 116.64 1ici h ASP 166 Ca 0.36 -0.11 -0.07 0.00 0.42 0.00 0.00 57.03 57.63 1ici h ASP 166 Cb 0.59 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 1ici h ASP 166 CO -0.50 0.62 0.02 0.58 -2.88 0.00 0.00 179.24 177.08 1ici h VAL 167 N 0.54 1.26 -0.36 2.25 2.07 -1.56 0.14 116.25 120.60 1ici h VAL 167 Ca 0.11 -1.01 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 1ici h VAL 167 Cb 0.38 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1ici h VAL 167 CO 0.01 0.35 0.00 0.25 0.02 0.00 0.00 177.57 178.21 1ici h LEU 168 N 0.67 0.61 -0.36 2.57 5.85 -0.53 -2.04 115.31 122.09 1ici h LEU 168 Ca 0.14 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.57 1ici h LEU 168 Cb 0.47 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1ici h LEU 168 CO 0.02 0.77 0.19 -0.78 -0.34 0.00 0.00 178.44 178.30 1ici h ASP 169 N 0.44 0.30 -0.55 1.25 -0.00 -0.01 -1.55 116.42 116.30 1ici h ASP 169 Ca 0.10 0.01 -0.08 0.00 -0.00 0.00 0.00 57.03 57.06 1ici h ASP 169 Cb 0.46 -0.05 -0.02 0.00 -0.00 0.00 0.00 39.33 39.72 1ici h ASP 169 CO 0.02 0.22 0.03 0.03 -0.00 0.00 0.00 179.24 179.54 1ici h ARG 170 N 0.39 0.94 -0.82 0.28 3.08 -0.64 -2.14 114.38 115.47 1ici h ARG 170 Ca 0.15 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 1ici h ARG 170 Cb 0.04 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 1ici h ARG 170 CO -0.09 0.94 0.35 0.00 -1.07 0.00 0.00 179.97 180.10 1ici h ALA 171 N 0.97 1.07 -0.51 0.04 0.00 -1.13 -1.43 119.26 118.26 1ici h ALA 171 Ca 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ici h ALA 171 Cb 0.49 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1ici h ALA 171 CO 0.02 0.67 0.22 0.52 0.00 0.00 0.00 179.25 180.68 1ici h MET 172 N 1.19 0.75 -0.03 0.00 2.86 -1.14 -2.18 114.93 116.38 1ici h MET 172 Ca 0.28 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.72 1ici h MET 172 Cb 0.18 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1ici h MET 172 CO -0.03 0.65 -0.29 0.00 1.06 0.00 0.00 176.91 178.31 1ici h ARG 173 N 0.68 0.06 -0.15 1.72 3.08 -1.02 0.28 114.38 119.02 1ici h ARG 173 Ca 0.17 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.13 1ici h ARG 173 Cb 0.17 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 1ici h ARG 173 CO -0.02 0.34 -0.19 0.93 -1.07 0.00 0.00 179.97 179.97 1ici h GLU 174 N 0.05 0.40 -0.06 0.04 4.39 -1.01 -3.06 114.58 115.33 1ici h GLU 174 Ca 0.01 -0.23 -0.10 0.00 0.34 0.00 0.00 59.36 59.38 1ici h GLU 174 Cb 0.54 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1ici h GLU 174 CO 0.04 0.80 -0.41 -0.39 -1.16 0.00 0.00 179.01 177.89 1ici h VAL 175 N 0.03 1.31 0.00 3.13 -1.51 -1.08 -0.90 116.25 117.23 1ici h VAL 175 Ca 0.02 -1.48 0.00 0.00 -1.23 0.00 0.00 66.70 64.01 1ici h VAL 175 Cb 0.74 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 1ici h VAL 175 CO 0.05 0.43 0.00 -0.62 -1.23 0.00 0.00 177.57 176.20 1ici n GLU 176 N -4.03 0.93 0.00 5.19 1.02 0.06 -3.18 120.64 120.63 1ici n GLU 176 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1ici n GLU 176 Cb 0.46 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 1ici n GLU 176 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1ici n ARG 177 N -0.56 2.16 -2.71 3.49 0.63 -0.62 -5.04 116.66 114.01 1ici n ARG 177 Ca 0.03 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.60 1ici n ARG 177 Cb 0.01 -0.87 -0.06 0.00 0.45 0.00 0.00 32.46 32.00 1ici n ARG 177 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ici s ALA 178 N -1.58 3.12 -1.48 5.13 0.00 -0.44 -4.85 121.76 121.66 1ici s ALA 178 Ca 0.00 0.55 0.18 0.00 0.00 0.00 0.00 51.96 52.69 1ici s ALA 178 Cb 0.00 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 1ici s ALA 178 CO 0.00 0.04 0.89 -0.40 0.00 0.00 0.00 175.76 176.29 1ici n ASP 179 N 0.05 1.56 -3.72 0.00 5.75 -0.90 -4.68 116.55 114.61 1ici n ASP 179 Ca 0.04 -1.28 -0.13 0.00 -0.01 0.00 0.00 54.79 53.41 1ici n ASP 179 Cb 0.51 0.59 -0.10 0.00 -1.03 0.00 0.00 41.12 41.09 1ici n ASP 179 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1ici s VAL 180 N -2.21 0.00 -0.03 2.12 1.01 -1.25 -0.33 120.40 119.71 1ici s VAL 180 Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 1ici s VAL 180 Cb 0.14 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.92 1ici s VAL 180 CO 0.52 -0.01 0.05 -0.51 0.00 0.00 0.00 175.10 175.15 1ici s ILE 181 N 0.20 -0.05 -0.22 2.22 2.07 -0.36 -1.69 121.20 123.37 1ici s ILE 181 Ca -0.00 0.19 -0.13 0.00 -1.41 0.00 0.00 60.65 59.30 1ici s ILE 181 Cb -0.03 -0.10 -0.04 0.00 0.13 0.00 0.00 42.46 42.42 1ici s ILE 181 CO 0.01 0.08 0.28 -0.63 -1.91 0.00 0.00 174.94 172.77 1ici s ILE 182 N 0.99 5.27 -0.33 2.00 1.01 -0.65 -1.14 121.20 128.35 1ici s ILE 182 Ca -0.08 0.45 -0.01 0.00 0.00 0.00 0.00 60.65 61.01 1ici s ILE 182 Cb -0.12 -3.62 0.07 0.00 0.01 0.00 0.00 42.46 38.81 1ici s ILE 182 CO -0.03 0.29 0.05 -0.69 0.00 0.00 0.00 174.94 174.56 1ici s VAL 183 N 1.22 2.92 -0.03 2.92 1.01 0.11 -0.40 120.40 128.15 1ici s VAL 183 Ca 0.13 -1.68 0.06 0.00 0.00 0.00 0.00 61.98 60.49 1ici s VAL 183 Cb -0.14 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 1ici s VAL 183 CO 0.06 -0.31 -0.21 0.00 0.00 0.00 0.00 175.10 174.65 1ici s ALA 184 N 1.17 1.76 -1.22 5.51 0.00 -0.12 -0.94 121.76 127.92 1ici s ALA 184 Ca -0.00 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1ici s ALA 184 Cb -0.20 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.40 1ici s ALA 184 CO -0.03 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.52 1ici n GLY 185 N 2.84 0.50 3.22 0.00 0.00 -0.76 -1.30 105.19 109.69 1ici n GLY 185 Ca -0.17 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 1ici n GLY 185 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ici s THR 186 N -2.57 1.63 -2.00 2.61 -1.32 -1.26 -0.61 115.64 112.12 1ici s THR 186 Ca 0.00 -0.89 0.27 0.00 -1.21 0.00 0.00 61.69 59.87 1ici s THR 186 Cb 0.00 -1.36 0.77 0.00 -1.51 0.00 0.00 72.50 70.41 1ici s THR 186 CO 0.00 0.46 1.97 -1.54 -2.21 0.00 0.00 174.62 173.30 1ici n SER 187 N 2.57 0.00 -4.13 8.08 3.41 -1.26 -4.91 113.62 117.38 1ici n SER 187 Ca -0.15 -0.86 -0.30 0.00 -0.26 0.00 0.00 58.87 57.30 1ici n SER 187 Cb 0.53 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 1ici n SER 187 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ici n ALA 188 N -1.00 -1.81 0.00 7.33 0.00 -1.26 -4.42 120.51 119.36 1ici n ALA 188 Ca 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1ici n ALA 188 Cb 0.09 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1ici n ALA 188 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ici n VAL 189 N -4.43 0.00 -2.13 0.00 0.31 -1.26 -4.48 118.33 106.34 1ici n VAL 189 Ca -0.21 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.70 1ici n VAL 189 Cb 0.64 -0.98 -0.03 0.00 -0.91 0.00 0.00 33.84 32.55 1ici n VAL 189 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1ici s VAL 190 N -1.93 3.33 0.19 2.52 1.01 -1.26 -4.79 120.40 119.46 1ici s VAL 190 Ca 0.00 0.87 0.04 0.00 0.00 0.00 0.00 61.98 62.89 1ici s VAL 190 Cb 0.00 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1ici s VAL 190 CO 0.00 0.04 0.30 -1.10 0.00 0.00 0.00 175.10 174.33 1ici s GLN 191 N 1.71 3.36 0.00 2.72 -1.52 -1.26 -1.14 119.66 123.53 1ici s GLN 191 Ca 0.66 -0.72 0.16 0.00 -1.95 0.00 0.00 55.36 53.51 1ici s GLN 191 Cb -0.36 -2.88 0.74 0.00 -0.22 0.00 0.00 33.01 30.29 1ici s GLN 191 CO 0.30 0.47 1.51 -0.35 -0.25 0.00 0.00 175.29 176.96 1ici n PRO 192 N -0.92 1.34 -0.33 2.91 -0.04 -1.26 -4.88 135.00 131.82 1ici n PRO 192 Ca -0.08 -0.52 -0.00 0.00 -0.04 0.00 0.00 63.50 62.86 1ici n PRO 192 Cb 0.56 -1.28 0.17 0.00 -0.04 0.00 0.00 33.50 32.90 1ici n PRO 192 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ici h ALA 193 N 3.67 1.37 0.00 0.55 0.00 -1.94 -1.16 119.26 121.75 1ici h ALA 193 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ici h ALA 193 Cb 0.22 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1ici h ALA 193 CO 0.00 0.56 -0.03 0.00 0.00 0.00 0.00 179.25 179.78 1ici h ALA 194 N 1.44 1.21 0.00 0.00 0.00 -1.44 -2.09 119.26 118.37 1ici h ALA 194 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1ici h ALA 194 Cb -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ici h ALA 194 CO -0.10 0.04 -0.45 0.77 0.00 0.00 0.00 179.25 179.52 1ici h SER 195 N 0.00 0.00 -0.76 0.00 0.02 -1.49 -3.38 113.55 107.94 1ici h SER 195 Ca -0.00 -0.12 0.03 0.00 -0.84 0.00 0.00 61.79 60.85 1ici h SER 195 Cb 0.14 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 1ici h SER 195 CO 0.00 0.06 0.49 -0.07 -1.14 0.00 0.00 176.83 176.17 1ici h LEU 196 N 0.00 0.81 -1.71 5.07 3.38 -1.33 -2.02 115.31 119.52 1ici h LEU 196 Ca 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1ici h LEU 196 Cb 0.78 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1ici h LEU 196 CO 0.00 0.57 -0.16 -0.65 0.09 0.00 0.00 178.44 178.29 1ici h PRO 197 N 0.96 0.00 -0.88 1.13 0.11 -1.77 -2.63 132.00 128.93 1ici h PRO 197 Ca 0.30 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.41 1ici h PRO 197 Cb -0.01 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.05 1ici h PRO 197 CO -0.10 0.16 0.54 -0.07 -0.21 0.00 0.00 178.00 178.32 1ici h LEU 198 N 0.00 1.05 -0.94 2.35 3.38 -1.60 -1.15 115.31 118.40 1ici h LEU 198 Ca -0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1ici h LEU 198 Cb 0.29 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1ici h LEU 198 CO 0.02 0.80 0.51 0.40 0.09 0.00 0.00 178.44 180.26 1ici h ILE 199 N 1.21 1.26 -0.43 1.22 2.04 -1.45 0.38 117.51 121.74 1ici h ILE 199 Ca 0.32 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 1ici h ILE 199 Cb -0.07 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.01 1ici h ILE 199 CO -0.06 0.29 -0.01 0.58 0.00 0.00 0.00 178.15 178.94 1ici h VAL 200 N 1.26 1.26 -0.01 1.67 2.07 -1.38 -2.68 116.25 118.45 1ici h VAL 200 Ca 0.32 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 1ici h VAL 200 Cb 0.00 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1ici h VAL 200 CO -0.05 0.36 0.00 0.50 0.02 0.00 0.00 177.57 178.40 1ici h LYS 201 N 0.60 0.01 0.00 1.57 3.11 -0.63 0.14 116.57 121.38 1ici h LYS 201 Ca 0.12 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.96 1ici h LYS 201 Cb 0.50 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.73 1ici h LYS 201 CO 0.02 0.18 0.00 1.04 -2.81 0.00 0.00 179.45 177.89 1ici n GLN 202 N -5.00 0.14 -0.62 1.90 1.13 0.13 -0.17 117.38 114.89 1ici n GLN 202 Ca -0.07 0.56 0.08 0.00 -1.94 0.00 0.00 57.00 55.63 1ici n GLN 202 Cb 0.11 -1.89 0.33 0.00 0.11 0.00 0.00 30.24 28.90 1ici n GLN 202 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1ici n ARG 203 N -2.17 3.79 -0.67 -1.09 1.74 -1.02 -4.94 116.66 112.30 1ici n ARG 203 Ca -0.00 -2.89 0.00 0.00 -0.77 0.00 0.00 57.85 54.18 1ici n ARG 203 Cb 0.09 -1.94 0.00 0.00 -1.02 0.00 0.00 32.46 29.58 1ici n ARG 203 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ici n GLY 204 N 0.41 0.74 3.96 -0.13 0.00 0.76 -5.06 105.19 105.86 1ici n GLY 204 Ca 0.24 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 1ici n GLY 204 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ici s GLY 205 N -1.86 1.77 0.20 -0.02 0.00 0.45 -4.98 107.32 102.88 1ici s GLY 205 Ca 0.00 -1.41 0.06 0.00 0.00 0.00 0.00 44.72 43.37 1ici s GLY 205 CO 0.00 -0.74 0.14 0.00 0.00 0.00 0.00 173.10 172.50 1ici s ALA 206 N -3.55 3.54 -0.09 3.20 0.00 0.55 -4.28 121.76 121.12 1ici s ALA 206 Ca 0.70 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 51.38 1ici s ALA 206 Cb -0.05 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.78 1ici s ALA 206 CO 0.49 0.41 -0.18 0.42 0.00 0.00 0.00 175.76 176.90 1ici s ILE 207 N -1.90 1.61 -0.25 0.00 1.01 -1.26 -1.22 121.20 119.19 1ici s ILE 207 Ca 0.31 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 60.24 1ici s ILE 207 Cb -0.09 -1.43 0.06 0.00 0.01 0.00 0.00 42.46 41.01 1ici s ILE 207 CO 0.23 0.46 -0.11 -0.63 0.00 0.00 0.00 174.94 174.89 1ici s ILE 208 N 0.59 2.08 -0.13 2.92 1.01 -0.29 -1.01 121.20 126.37 1ici s ILE 208 Ca -0.15 -1.53 -0.08 0.00 0.00 0.00 0.00 60.65 58.90 1ici s ILE 208 Cb -0.17 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 1ici s ILE 208 CO 0.05 0.01 0.14 -0.70 0.00 0.00 0.00 174.94 174.44 1ici s GLU 209 N 1.15 3.57 -0.25 2.79 2.12 0.18 -0.71 118.70 127.55 1ici s GLU 209 Ca -0.07 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.12 1ici s GLU 209 Cb -0.19 -3.23 0.07 0.00 0.26 0.00 0.00 34.13 31.04 1ici s GLU 209 CO -0.06 0.70 -0.01 0.42 -0.54 0.00 0.00 175.26 175.77 1ici s ILE 210 N -0.80 1.40 -0.28 -3.70 1.01 -0.12 0.11 121.20 118.82 1ici s ILE 210 Ca 0.14 -1.30 -0.20 0.00 0.00 0.00 0.00 60.65 59.29 1ici s ILE 210 Cb -0.12 -1.79 0.11 0.00 0.01 0.00 0.00 42.46 40.67 1ici s ILE 210 CO 0.03 -0.25 0.88 0.21 0.00 0.00 0.00 174.94 175.81 1ici s ASN 211 N 1.42 -0.64 0.02 3.58 3.84 -0.87 -1.83 114.94 120.46 1ici s ASN 211 Ca -0.01 1.11 0.12 0.00 0.21 0.00 0.00 52.86 54.29 1ici s ASN 211 Cb -0.18 1.20 0.52 0.00 -0.55 0.00 0.00 41.25 42.24 1ici s ASN 211 CO -0.09 -0.18 1.38 -0.81 -2.79 0.00 0.00 177.10 174.61 1ici n PRO 212 N 3.24 0.02 -4.45 0.43 -0.04 -1.21 -3.68 135.00 129.31 1ici n PRO 212 Ca -0.16 0.32 -0.24 0.00 -0.04 0.00 0.00 63.50 63.38 1ici n PRO 212 Cb 0.57 -1.53 -0.10 0.00 -0.04 0.00 0.00 33.50 32.40 1ici n PRO 212 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ici s ASP 213 N -3.10 3.72 0.33 3.54 1.01 -1.26 -4.78 116.67 116.13 1ici s ASP 213 Ca 0.05 -1.00 -0.12 0.00 0.71 0.00 0.00 52.55 52.19 1ici s ASP 213 Cb 0.07 -0.37 -0.08 0.00 1.01 0.00 0.00 42.92 43.56 1ici s ASP 213 CO 0.21 0.01 0.70 -1.61 0.21 0.00 0.00 175.17 174.70 1ici s GLU 214 N -3.54 3.88 0.32 8.23 2.02 -1.26 -5.01 118.70 123.34 1ici s GLU 214 Ca 0.30 0.50 0.05 0.00 0.02 0.00 0.00 54.97 55.85 1ici s GLU 214 Cb -0.04 -2.47 -0.03 0.00 0.10 0.00 0.00 34.13 31.69 1ici s GLU 214 CO 0.16 0.13 0.22 0.95 0.02 0.00 0.00 175.26 176.73 1ici s THR 215 N -2.08 0.14 0.33 3.63 -4.23 -1.26 -4.99 115.64 107.18 1ici s THR 215 Ca 0.52 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 59.38 1ici s THR 215 Cb -0.10 -2.48 0.35 0.00 1.34 0.00 0.00 72.50 71.61 1ici s THR 215 CO 0.23 0.00 2.08 -0.65 -0.54 0.00 0.00 174.62 175.74 1ici h PRO 216 N 2.17 0.00 0.00 3.99 0.11 -1.78 -0.53 132.00 135.95 1ici h PRO 216 Ca -0.29 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.66 1ici h PRO 216 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1ici h PRO 216 CO 0.44 0.00 -0.84 1.25 -0.21 0.00 0.00 178.00 178.64 1ici h LEU 217 N 0.00 0.00 -0.87 2.35 5.85 -1.89 -3.38 115.31 117.37 1ici h LEU 217 Ca 0.00 0.00 0.22 0.00 0.84 0.00 0.00 57.88 58.94 1ici h LEU 217 Cb 0.02 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 40.89 1ici h LEU 217 CO 0.00 0.67 0.03 0.74 -0.34 0.00 0.00 178.44 179.55 1ici h THR 218 N 0.00 0.21 0.00 1.05 2.02 -1.47 -0.66 112.91 114.05 1ici h THR 218 Ca -0.04 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1ici h THR 218 Cb 1.55 0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1ici h THR 218 CO 0.08 0.01 -0.03 -0.65 0.37 0.00 0.00 175.52 175.30 1ici h PRO 219 N 0.08 0.00 -0.27 6.66 0.11 -1.77 -2.22 132.00 134.59 1ici h PRO 219 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 1ici h PRO 219 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1ici h PRO 219 CO -0.77 0.03 0.00 0.44 -0.21 0.00 0.00 178.00 177.49 1ici n ILE 220 N -3.44 0.40 -2.84 4.15 -5.35 -0.28 -4.95 119.36 107.06 1ici n ILE 220 Ca -0.02 -0.70 -0.41 0.00 -0.27 0.00 0.00 62.75 61.34 1ici n ILE 220 Cb 0.14 1.05 -0.04 0.00 -1.74 0.00 0.00 39.64 39.05 1ici n ILE 220 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ici s ALA 221 N -1.39 3.26 0.30 -1.28 0.00 -0.84 -4.73 121.76 117.08 1ici s ALA 221 Ca 0.31 0.35 0.03 0.00 0.00 0.00 0.00 51.96 52.65 1ici s ALA 221 Cb 0.19 -3.20 0.48 0.00 0.00 0.00 0.00 23.12 20.58 1ici s ALA 221 CO 0.26 -0.23 1.78 -0.44 0.00 0.00 0.00 175.76 177.13 1ici h ASP 222 N 6.84 0.50 -3.72 0.00 5.19 -1.39 -3.43 116.42 120.40 1ici h ASP 222 Ca -0.40 -0.14 -0.32 0.00 -0.62 0.00 0.00 57.03 55.56 1ici h ASP 222 Cb 1.20 -0.13 -0.30 0.00 0.18 0.00 0.00 39.33 40.27 1ici h ASP 222 CO 0.76 0.67 -0.75 -0.31 -3.12 0.00 0.00 179.24 176.50 1ici s TYR 223 N -4.69 0.36 -0.12 4.55 1.51 -0.75 -5.03 117.35 113.18 1ici s TYR 223 Ca -0.07 -0.05 -0.01 0.00 -1.01 0.00 0.00 57.07 55.93 1ici s TYR 223 Cb 0.14 -0.30 0.03 0.00 -0.11 0.00 0.00 41.96 41.72 1ici s TYR 223 CO 0.78 -0.06 -0.06 0.45 -1.11 0.00 0.00 175.55 175.55 1ici s SER 224 N 0.31 2.28 -0.37 2.29 0.15 -1.26 0.50 113.70 117.60 1ici s SER 224 Ca -0.03 -0.37 -0.08 0.00 0.70 0.00 0.00 55.95 56.17 1ici s SER 224 Cb -0.06 -0.82 0.05 0.00 -1.71 0.00 0.00 66.02 63.49 1ici s SER 224 CO -0.01 -0.14 0.18 -0.76 1.20 0.00 0.00 173.24 173.71 1ici s LEU 225 N 1.72 4.71 -1.20 3.45 1.43 0.12 -4.97 118.68 123.94 1ici s LEU 225 Ca 0.04 -1.27 -0.17 0.00 -1.03 0.00 0.00 54.13 51.69 1ici s LEU 225 Cb -0.13 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 1ici s LEU 225 CO -0.08 -0.42 2.08 0.54 0.23 0.00 0.00 176.35 178.70 1ici n ARG 226 N 4.87 2.35 -3.91 1.70 5.12 -1.26 -2.05 116.66 123.49 1ici n ARG 226 Ca -0.11 -2.38 -0.10 0.00 -1.93 0.00 0.00 57.85 53.33 1ici n ARG 226 Cb 0.44 -3.19 -0.01 0.00 -1.16 0.00 0.00 32.46 28.54 1ici n ARG 226 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1ici s GLY 227 N 4.04 0.57 0.23 -0.13 0.00 -1.24 -4.76 107.32 106.03 1ici s GLY 227 Ca 0.52 -0.87 -0.30 0.00 0.00 0.00 0.00 44.72 44.07 1ici s GLY 227 CO 0.00 -0.47 1.22 0.54 0.00 0.00 0.00 173.10 174.39 1ici s LYS 228 N -2.97 4.48 0.44 2.90 1.02 -1.26 -3.33 119.74 121.02 1ici s LYS 228 Ca 0.19 1.95 0.14 0.00 0.02 0.00 0.00 55.97 58.27 1ici s LYS 228 Cb -0.04 -3.19 1.04 0.00 -0.52 0.00 0.00 37.83 35.12 1ici s LYS 228 CO 0.12 -0.08 2.01 0.00 -0.92 0.00 0.00 175.35 176.48 1ici h ALA 229 N 4.74 2.00 0.79 5.17 0.00 -1.88 -1.20 119.26 128.87 1ici h ALA 229 Ca -0.46 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1ici h ALA 229 Cb 1.22 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1ici h ALA 229 CO 0.72 -0.10 -0.38 0.78 0.00 0.00 0.00 179.25 180.27 1ici h GLY 230 N 0.37 -1.11 0.79 0.00 0.00 -1.91 -1.18 103.07 100.03 1ici h GLY 230 Ca 0.23 0.41 -0.04 0.00 0.00 0.00 0.00 47.33 47.93 1ici h GLY 230 CO -0.06 -0.40 -0.37 0.83 0.00 0.00 0.00 176.54 176.54 1ici h GLU 231 N -1.07 -1.00 -0.59 4.80 4.39 -1.89 -2.55 114.58 116.68 1ici h GLU 231 Ca -0.11 0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.74 1ici h GLU 231 Cb 0.82 0.23 -0.11 0.00 -0.10 0.00 0.00 28.75 29.59 1ici h GLU 231 CO 0.18 -0.66 -0.45 0.28 -1.16 0.00 0.00 179.01 177.20 1ici h VAL 232 N -1.26 0.07 -0.15 3.13 2.07 -1.32 -0.68 116.25 118.12 1ici h VAL 232 Ca -0.11 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 1ici h VAL 232 Cb 0.80 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1ici h VAL 232 CO 0.17 0.00 -0.10 0.24 0.02 0.00 0.00 177.57 177.91 1ici h MET 233 N -0.23 0.22 -0.05 1.57 2.86 -1.31 -0.81 114.93 117.18 1ici h MET 233 Ca 0.17 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1ici h MET 233 Cb 0.56 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 1ici h MET 233 CO -0.69 0.33 0.02 0.22 1.06 0.00 0.00 176.91 177.85 1ici h ASP 234 N 0.21 0.07 0.24 1.22 3.58 -0.70 -0.93 116.42 120.11 1ici h ASP 234 Ca 0.05 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.35 1ici h ASP 234 Cb 0.32 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1ici h ASP 234 CO 0.02 0.18 -0.11 -0.08 -2.88 0.00 0.00 179.24 176.37 1ici h GLU 235 N -0.06 -0.31 -0.41 0.28 4.81 -1.14 -2.77 114.58 114.99 1ici h GLU 235 Ca 0.02 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1ici h GLU 235 Cb 0.14 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.50 1ici h GLU 235 CO -0.00 -0.08 -0.56 1.25 -0.73 0.00 0.00 179.01 178.89 1ici h LEU 236 N -0.49 -1.86 -2.30 1.64 5.85 -1.10 -0.59 115.31 116.46 1ici h LEU 236 Ca -0.03 0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.97 1ici h LEU 236 Cb 0.37 0.76 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 1ici h LEU 236 CO 0.05 -0.40 0.12 0.58 -0.34 0.00 0.00 178.44 178.45 1ici h VAL 237 N -0.39 0.52 -0.02 1.05 2.07 -1.17 -0.29 116.25 118.01 1ici h VAL 237 Ca 0.08 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 1ici h VAL 237 Cb 0.60 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1ici h VAL 237 CO -0.60 0.00 -0.24 0.03 0.02 0.00 0.00 177.57 176.78 1ici h ARG 238 N 0.00 0.20 -0.61 1.57 3.08 -0.83 -2.43 114.38 115.35 1ici h ARG 238 Ca 0.05 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1ici h ARG 238 Cb 0.30 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1ici h ARG 238 CO -0.00 0.88 0.33 0.45 -1.07 0.00 0.00 179.97 180.56 1ici h HIS 239 N -0.41 0.85 0.00 3.04 3.86 -0.76 0.12 115.15 121.85 1ici h HIS 239 Ca -0.02 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1ici h HIS 239 Cb 0.95 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 29.14 1ici h HIS 239 CO 0.16 0.62 -0.05 0.28 0.86 0.00 0.00 177.93 179.80 1ici h VAL 240 N 0.84 0.50 0.09 2.45 2.07 -1.12 0.74 116.25 121.82 1ici h VAL 240 Ca 0.22 -0.22 -0.30 0.00 0.82 0.00 0.00 66.70 67.21 1ici h VAL 240 Cb 0.06 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1ici h VAL 240 CO -0.03 0.05 -1.58 -0.09 0.02 0.00 0.00 177.57 175.94 1ici h ARG 241 N 0.00 0.19 0.09 1.57 2.43 -0.72 -3.03 114.38 114.91 1ici h ARG 241 Ca -0.00 -0.33 -0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1ici h ARG 241 Cb 0.14 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1ici h ARG 241 CO 0.01 1.01 -0.04 -0.22 -1.51 0.00 0.00 179.97 179.22 1ici h LYS 242 N 0.05 -0.11 -0.54 0.20 3.64 0.18 0.13 116.57 120.12 1ici h LYS 242 Ca -0.25 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.28 1ici h LYS 242 Cb 2.00 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.82 1ici h LYS 242 CO 0.14 0.39 0.38 0.00 -2.27 0.00 0.00 179.45 178.09 1ici h ALA 243 N 0.09 2.43 -0.01 5.00 0.00 0.31 0.18 119.26 127.25 1ici h ALA 243 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ici h ALA 243 Cb 0.55 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ici h ALA 243 CO 0.02 -0.58 -0.51 1.28 0.00 0.00 0.00 179.25 179.46 1ici n LEU 244 N -4.40 1.69 0.00 0.00 4.77 -1.14 -5.07 117.00 112.84 1ici n LEU 244 Ca 0.10 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1ici n LEU 244 Cb 0.57 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1ici n LEU 244 CO 0.36 0.32 0.20 -1.54 -1.33 0.00 0.00 177.39 175.41