#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8i s LYS 2 N 0.00 2.42 0.45 0.03 -2.85 -1.26 0.19 119.74 118.72 3i8i s LYS 2 Ca 0.00 -0.70 0.03 0.00 -1.00 0.00 0.00 55.97 54.30 3i8i s LYS 2 Cb 0.00 -1.91 -0.03 0.00 -2.06 0.00 0.00 37.83 33.83 3i8i s LYS 2 CO 0.00 0.16 0.05 0.14 0.10 0.00 0.00 175.35 175.80 3i8i s VAL 3 N 0.35 1.03 -0.42 1.79 -7.23 0.13 -1.56 120.40 114.50 3i8i s VAL 3 Ca -0.14 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 57.97 3i8i s VAL 3 Cb -0.16 -2.35 0.10 0.00 0.56 0.00 0.00 36.38 34.53 3i8i s VAL 3 CO 0.06 0.00 0.23 -0.63 -0.31 0.00 0.00 175.10 174.45 3i8i s ILE 4 N -3.01 3.66 0.51 -0.62 1.01 0.43 -2.01 121.20 121.17 3i8i s ILE 4 Ca 0.17 -1.82 -0.20 0.00 0.00 0.00 0.00 60.65 58.80 3i8i s ILE 4 Cb 0.03 -3.40 -0.10 0.00 0.01 0.00 0.00 42.46 39.00 3i8i s ILE 4 CO 0.09 -0.64 0.63 0.18 0.00 0.00 0.00 174.94 175.21 3i8i n LEU 5 N 4.73 1.05 -0.07 2.97 4.77 -1.26 -1.60 117.00 127.58 3i8i n LEU 5 Ca -0.06 0.83 0.03 0.00 -0.03 0.00 0.00 56.01 56.78 3i8i n LEU 5 Cb 0.42 -1.20 -0.01 0.00 -2.33 0.00 0.00 43.42 40.29 3i8i n LEU 5 CO 0.36 -2.70 0.09 0.18 -1.33 0.00 0.00 177.39 173.99 3i8i n LEU 6 N 0.60 0.64 -3.61 2.23 4.32 -1.25 -3.65 117.00 116.28 3i8i n LEU 6 Ca 0.11 -0.65 -0.09 0.00 -0.02 0.00 0.00 56.01 55.37 3i8i n LEU 6 Cb 0.44 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.18 3i8i n LEU 6 CO 0.53 0.14 0.81 -1.83 -1.22 0.00 0.00 177.39 175.81 3i8i s GLU 7 N -1.24 0.50 0.98 3.23 -1.05 -1.26 -4.72 118.70 115.14 3i8i s GLU 7 Ca 0.04 0.31 -0.15 0.00 -0.15 0.00 0.00 54.97 55.02 3i8i s GLU 7 Cb 0.05 0.24 -0.01 0.00 -0.44 0.00 0.00 34.13 33.96 3i8i s GLU 7 CO 0.19 -0.12 0.03 -2.30 0.95 0.00 0.00 175.26 174.01 3i8i n PRO 8 N 1.37 -0.31 0.00 -4.83 -0.02 -1.26 -4.46 135.00 125.49 3i8i n PRO 8 Ca -0.11 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 3i8i n PRO 8 Cb 0.57 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 3i8i n PRO 8 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3i8i n LEU 9 N -0.05 0.00 -1.37 2.45 -0.00 -1.26 -4.98 117.00 111.79 3i8i n LEU 9 Ca 0.04 -0.03 0.03 0.00 -0.00 0.00 0.00 56.01 56.04 3i8i n LEU 9 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.96 3i8i n LEU 9 CO 0.51 0.14 -0.46 -1.84 -0.00 0.00 0.00 177.39 175.75 3i8i n GLU 10 N 0.00 -3.52 -2.53 1.47 -0.00 -1.26 -4.93 120.64 109.88 3i8i n GLU 10 Ca 0.00 2.76 -0.01 0.00 -0.00 0.00 0.00 57.16 59.90 3i8i n GLU 10 Cb 0.12 -3.53 -0.01 0.00 -0.00 0.00 0.00 31.44 28.02 3i8i n GLU 10 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3i8i n ASN 11 N -2.78 -5.68 -0.41 -1.84 5.15 -1.26 -4.88 115.26 103.56 3i8i n ASN 11 Ca -0.02 1.23 0.00 0.00 -0.60 0.00 0.00 54.58 55.19 3i8i n ASN 11 Cb 0.46 -4.75 0.00 0.00 -0.53 0.00 0.00 39.78 34.97 3i8i n ASN 11 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3i8i n LEU 12 N 0.81 -0.94 0.00 1.20 4.32 -1.26 -5.04 117.00 116.09 3i8i n LEU 12 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.90 3i8i n LEU 12 Cb 0.13 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.46 3i8i n LEU 12 CO 0.38 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.16 3i8i n GLY 13 N 1.59 0.00 3.89 -0.72 0.00 -1.26 -4.53 105.19 104.16 3i8i n GLY 13 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i8i n GLY 13 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3i8i s ASP 14 N -1.46 -0.01 0.00 1.61 1.47 -1.26 -4.13 116.67 112.89 3i8i s ASP 14 Ca 0.00 -0.42 0.00 0.00 1.18 0.00 0.00 52.55 53.31 3i8i s ASP 14 Cb 0.00 0.33 0.00 0.00 -0.34 0.00 0.00 42.92 42.91 3i8i s ASP 14 CO 0.00 -0.65 0.00 1.33 0.68 0.00 0.00 175.17 176.53 3i8i n VAL 15 N -0.74 0.00 -1.75 2.11 0.24 -1.26 -0.06 118.33 116.87 3i8i n VAL 15 Ca -0.01 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.26 3i8i n VAL 15 Cb 0.60 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.94 3i8i n VAL 15 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i8i n GLY 16 N 0.00 0.27 0.11 7.63 0.00 -1.24 -4.28 105.19 107.68 3i8i n GLY 16 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3i8i n GLY 16 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3i8i h GLN 17 N 0.00 -0.17 -2.98 1.61 4.15 -0.73 -3.46 115.11 113.53 3i8i h GLN 17 Ca -0.24 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.19 3i8i h GLN 17 Cb 0.92 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.65 3i8i h GLN 17 CO -0.12 0.04 0.00 0.28 -1.93 0.00 0.00 178.83 177.10 3i8i n VAL 18 N -5.08 -1.99 -4.21 2.39 0.31 -1.25 -4.98 118.33 103.52 3i8i n VAL 18 Ca -0.09 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.00 3i8i n VAL 18 Cb 0.16 -3.98 -0.07 0.00 -0.91 0.00 0.00 33.84 29.04 3i8i n VAL 18 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i8i s VAL 19 N -0.32 2.73 0.06 2.52 0.11 -0.85 -4.90 120.40 119.75 3i8i s VAL 19 Ca 0.00 -1.82 0.05 0.00 -2.93 0.00 0.00 61.98 57.28 3i8i s VAL 19 Cb 0.00 -2.90 -0.04 0.00 -1.53 0.00 0.00 36.38 31.91 3i8i s VAL 19 CO 0.00 -0.16 -0.06 1.51 -3.33 0.00 0.00 175.10 173.06 3i8i s ASP 20 N -3.80 4.69 -0.07 3.54 3.84 -1.26 -0.69 116.67 122.92 3i8i s ASP 20 Ca 0.37 -0.22 -0.25 0.00 -0.00 0.00 0.00 52.55 52.46 3i8i s ASP 20 Cb -0.00 -1.05 0.05 0.00 -1.38 0.00 0.00 42.92 40.54 3i8i s ASP 20 CO 0.21 0.22 0.56 0.54 -0.00 0.00 0.00 175.17 176.70 3i8i s VAL 21 N -1.15 0.02 0.08 2.11 0.11 0.51 -4.92 120.40 117.16 3i8i s VAL 21 Ca 0.21 -0.14 -0.29 0.00 -2.93 0.00 0.00 61.98 58.83 3i8i s VAL 21 Cb -0.11 -0.86 -0.15 0.00 -1.53 0.00 0.00 36.38 33.73 3i8i s VAL 21 CO 0.12 -0.08 0.68 0.29 -3.33 0.00 0.00 175.10 172.78 3i8i n LYS 22 N 1.30 0.00 -0.06 1.54 5.02 -1.26 -4.07 118.16 120.63 3i8i n LYS 22 Ca -0.19 0.00 0.24 0.00 -2.02 0.00 0.00 58.31 56.34 3i8i n LYS 22 Cb 0.57 -1.05 0.71 0.00 -0.02 0.00 0.00 35.03 35.23 3i8i n LYS 22 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3i8i h PRO 23 N 1.72 0.00 -0.36 1.97 0.13 -2.00 -1.54 132.00 131.92 3i8i h PRO 23 Ca -0.33 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.78 3i8i h PRO 23 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 3i8i h PRO 23 CO 0.51 0.00 0.15 0.78 -0.23 0.00 0.00 178.00 179.21 3i8i h GLY 24 N 0.00 0.57 0.99 1.56 0.00 -1.99 -0.20 103.07 104.01 3i8i h GLY 24 Ca 0.32 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 3i8i h GLY 24 CO -0.00 0.29 0.29 -1.82 0.00 0.00 0.00 176.54 175.29 3i8i h TYR 25 N 0.44 0.87 0.16 5.60 -0.00 -1.62 -1.70 116.97 120.72 3i8i h TYR 25 Ca 0.12 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.73 58.80 3i8i h TYR 25 Cb 0.17 -0.27 0.00 0.00 -0.00 0.00 0.00 36.73 36.63 3i8i h TYR 25 CO -0.01 0.66 -0.09 0.00 -0.00 0.00 0.00 178.16 178.73 3i8i h ALA 26 N 1.12 -1.02 0.00 1.82 0.00 -1.05 -2.01 119.26 118.12 3i8i h ALA 26 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3i8i h ALA 26 Cb 0.12 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3i8i h ALA 26 CO -0.03 -1.00 0.00 2.89 0.00 0.00 0.00 179.25 181.11 3i8i n ARG 27 N -2.69 0.09 -0.06 0.00 1.85 -0.13 -0.27 116.66 115.46 3i8i n ARG 27 Ca -0.03 0.23 0.04 0.00 -1.00 0.00 0.00 57.85 57.09 3i8i n ARG 27 Cb 0.09 -1.64 0.07 0.00 -1.05 0.00 0.00 32.46 29.93 3i8i n ARG 27 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3i8i n ASN 28 N -1.81 2.17 0.00 2.89 5.03 -0.64 -4.51 115.26 118.39 3i8i n ASN 28 Ca 0.04 -1.67 0.00 0.00 0.87 0.00 0.00 54.58 53.82 3i8i n ASN 28 Cb 0.27 -0.08 0.00 0.00 -1.02 0.00 0.00 39.78 38.94 3i8i n ASN 28 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i8i n TYR 29 N 0.34 -0.47 -0.05 3.10 9.36 -1.09 -4.84 117.16 123.50 3i8i n TYR 29 Ca 0.07 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.15 3i8i n TYR 29 Cb 0.29 0.28 -0.09 0.00 -0.63 0.00 0.00 39.34 39.19 3i8i n TYR 29 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3i8i h LEU 30 N 0.00 -1.65 -0.05 2.98 3.38 -1.14 1.25 115.31 120.07 3i8i h LEU 30 Ca 0.00 0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.18 3i8i h LEU 30 Cb 0.00 0.66 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3i8i h LEU 30 CO 0.00 -0.43 0.01 -0.07 0.09 0.00 0.00 178.44 178.04 3i8i h LEU 31 N -0.49 0.01 -0.08 1.67 4.07 -0.83 -1.72 115.31 117.94 3i8i h LEU 31 Ca 0.04 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.01 3i8i h LEU 31 Cb 0.61 0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.35 3i8i h LEU 31 CO -0.46 0.01 0.05 -0.65 -1.08 0.00 0.00 178.44 176.32 3i8i h PRO 32 N 0.03 0.11 -0.36 1.13 0.11 -1.67 -0.67 132.00 130.68 3i8i h PRO 32 Ca 0.02 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3i8i h PRO 32 Cb 0.02 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.10 3i8i h PRO 32 CO -0.03 0.08 0.00 0.54 -0.21 0.00 0.00 178.00 178.38 3i8i n ARG 33 N -5.03 0.47 -2.45 1.05 3.00 0.43 -4.76 116.66 109.36 3i8i n ARG 33 Ca -0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 57.85 57.77 3i8i n ARG 33 Cb 0.03 -1.18 -0.00 0.00 0.00 0.00 0.00 32.46 31.31 3i8i n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i8i n GLY 34 N 0.20 -0.48 2.64 -0.13 0.00 -0.26 -4.81 105.19 102.34 3i8i n GLY 34 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3i8i n GLY 34 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3i8i n LEU 35 N -2.49 4.22 0.00 0.99 -0.00 -0.66 -4.98 117.00 114.08 3i8i n LEU 35 Ca -0.02 -5.26 0.00 0.00 -0.00 0.00 0.00 56.01 50.73 3i8i n LEU 35 Cb 0.50 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.54 3i8i n LEU 35 CO 0.02 2.23 0.00 0.00 -0.00 0.00 0.00 177.39 179.64 3i8i n ALA 36 N -0.34 0.00 -2.69 1.47 0.00 -1.24 -3.83 120.51 113.88 3i8i n ALA 36 Ca 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.68 3i8i n ALA 36 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.95 3i8i n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i8i s VAL 37 N -2.00 0.13 0.30 0.00 1.01 -0.63 -4.36 120.40 114.84 3i8i s VAL 37 Ca 0.00 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 60.65 3i8i s VAL 37 Cb 0.00 -1.18 -0.10 0.00 0.00 0.00 0.00 36.38 35.10 3i8i s VAL 37 CO 0.00 -0.57 1.33 -0.76 0.00 0.00 0.00 175.10 175.10 3i8i s LEU 38 N -2.57 4.42 0.00 3.92 1.02 -1.26 0.16 118.68 124.36 3i8i s LEU 38 Ca 0.01 2.65 0.00 0.00 0.02 0.00 0.00 54.13 56.81 3i8i s LEU 38 Cb 0.03 -3.64 0.00 0.00 0.02 0.00 0.00 46.19 42.60 3i8i s LEU 38 CO -0.08 -0.56 0.53 0.00 0.02 0.00 0.00 176.35 176.25 3i8i n ALA 39 N 1.32 2.15 -1.36 4.21 0.00 -0.60 -4.61 120.51 121.62 3i8i n ALA 39 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.08 3i8i n ALA 39 Cb 0.42 -1.63 0.04 0.00 0.00 0.00 0.00 19.45 18.28 3i8i n ALA 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i8i n THR 40 N 1.74 1.69 1.17 0.00 -1.04 -1.26 -4.65 114.28 111.93 3i8i n THR 40 Ca 0.00 -0.47 0.11 0.00 -2.04 0.00 0.00 64.05 61.65 3i8i n THR 40 Cb 0.14 -0.56 0.59 0.00 -1.82 0.00 0.00 70.33 68.68 3i8i n THR 40 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3i8i n GLU 41 N 0.12 0.46 -0.10 -2.82 0.00 -1.26 -0.79 120.64 116.25 3i8i n GLU 41 Ca 0.10 0.05 -0.23 0.00 0.00 0.00 0.00 57.16 57.08 3i8i n GLU 41 Cb 0.48 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.31 3i8i n GLU 41 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 3i8i n SER 42 N -1.17 1.92 0.05 -1.84 7.64 -1.26 -3.28 113.62 115.68 3i8i n SER 42 Ca 0.13 0.36 -0.14 0.00 1.01 0.00 0.00 58.87 60.23 3i8i n SER 42 Cb 0.13 -0.90 -0.04 0.00 -1.01 0.00 0.00 64.21 62.39 3i8i n SER 42 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 3i8i h ASN 43 N -0.83 0.59 0.09 6.43 2.35 -1.83 -1.13 115.58 121.24 3i8i h ASN 43 Ca -0.45 -0.45 -0.03 0.00 -0.55 0.00 0.00 56.30 54.82 3i8i h ASN 43 Cb 1.49 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.67 3i8i h ASN 43 CO -0.22 1.24 -0.11 0.25 -1.65 0.00 0.00 177.43 176.94 3i8i h LEU 44 N 0.28 0.06 0.07 1.61 5.85 -1.16 0.84 115.31 122.85 3i8i h LEU 44 Ca -0.07 -0.01 -0.28 0.00 0.84 0.00 0.00 57.88 58.36 3i8i h LEU 44 Cb 1.52 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 42.55 3i8i h LEU 44 CO 0.16 0.18 -1.20 0.50 -0.34 0.00 0.00 178.44 177.74 3i8i h LYS 45 N 0.07 0.40 -0.35 1.25 3.64 -1.49 -2.97 116.57 117.11 3i8i h LYS 45 Ca 0.01 -0.59 -0.12 0.00 -1.27 0.00 0.00 60.65 58.69 3i8i h LYS 45 Cb 0.24 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3i8i h LYS 45 CO 0.02 1.25 -0.23 0.00 -2.27 0.00 0.00 179.45 178.22 3i8i h ALA 46 N 0.51 0.51 -0.29 5.00 0.00 0.14 -3.07 119.26 122.06 3i8i h ALA 46 Ca -0.15 -0.38 0.07 0.00 0.00 0.00 0.00 54.91 54.45 3i8i h ALA 46 Cb 1.89 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.50 3i8i h ALA 46 CO 0.21 0.48 -0.16 1.25 0.00 0.00 0.00 179.25 181.03 3i8i h LEU 47 N 0.57 -0.54 -1.07 0.00 5.85 0.60 0.24 115.31 120.96 3i8i h LEU 47 Ca 0.07 0.12 0.30 0.00 0.84 0.00 0.00 57.88 59.22 3i8i h LEU 47 Cb 0.79 0.29 -0.13 0.00 0.37 0.00 0.00 40.66 41.97 3i8i h LEU 47 CO 0.06 -0.20 0.61 -0.08 -0.34 0.00 0.00 178.44 178.49 3i8i h GLU 48 N -0.12 0.37 0.04 1.25 4.57 -1.43 0.37 114.58 119.62 3i8i h GLU 48 Ca 0.15 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3i8i h GLU 48 Cb 0.36 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 3i8i h GLU 48 CO -0.37 0.25 -0.02 0.00 -1.18 0.00 0.00 179.01 177.69 3i8i h ALA 49 N 1.77 -0.05 -0.82 2.92 0.00 -0.59 -2.42 119.26 120.07 3i8i h ALA 49 Ca 0.70 -0.33 0.19 0.00 0.00 0.00 0.00 54.91 55.47 3i8i h ALA 49 Cb 1.60 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.36 3i8i h ALA 49 CO -0.52 -0.15 0.55 0.00 0.00 0.00 0.00 179.25 179.13 3i8i h ARG 50 N -0.81 0.30 -0.13 0.00 3.08 0.30 0.26 114.38 117.37 3i8i h ARG 50 Ca -0.01 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 3i8i h ARG 50 Cb 0.68 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 3i8i h ARG 50 CO 0.01 0.20 -0.54 0.82 -1.07 0.00 0.00 179.97 179.38 3i8i h ILE 51 N 0.30 1.34 0.03 2.04 2.04 -0.28 -2.92 117.51 120.07 3i8i h ILE 51 Ca 0.41 -1.82 -0.00 0.00 1.00 0.00 0.00 64.86 64.45 3i8i h ILE 51 Cb 1.14 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 3i8i h ILE 51 CO -0.12 0.55 -0.02 0.08 0.00 0.00 0.00 178.15 178.65 3i8i h ARG 52 N 0.30 -0.04 -0.49 2.37 0.11 -0.06 -1.33 114.38 115.23 3i8i h ARG 52 Ca 0.01 0.00 0.09 0.00 0.10 0.00 0.00 59.98 60.18 3i8i h ARG 52 Cb 1.05 0.01 -0.10 0.00 1.11 0.00 0.00 29.97 32.04 3i8i h ARG 52 CO 0.09 0.60 -0.33 0.00 0.10 0.00 0.00 179.97 180.43 3i8i h ALA 53 N -0.24 -0.12 0.74 0.08 0.00 -1.16 0.74 119.26 119.29 3i8i h ALA 53 Ca -0.00 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3i8i h ALA 53 Cb 0.66 0.75 0.01 0.00 0.00 0.00 0.00 17.79 19.20 3i8i h ALA 53 CO 0.01 -0.71 -0.35 0.37 0.00 0.00 0.00 179.25 178.57 3i8i h GLN 54 N -0.21 -0.96 0.00 0.00 4.15 -1.64 -0.39 115.11 116.07 3i8i h GLN 54 Ca 0.20 0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.68 3i8i h GLN 54 Cb 0.54 0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.45 3i8i h GLN 54 CO -0.61 -0.64 0.14 0.00 -1.93 0.00 0.00 178.83 175.80 3i8i n ALA 55 N -2.50 0.77 -0.10 3.38 0.00 -0.50 -0.24 120.51 121.32 3i8i n ALA 55 Ca -0.12 0.06 -0.15 0.00 0.00 0.00 0.00 53.44 53.23 3i8i n ALA 55 Cb 0.39 -0.86 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 3i8i n ALA 55 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i8i n LYS 56 N -1.68 0.53 0.29 0.00 3.00 0.25 -3.29 118.16 117.27 3i8i n LYS 56 Ca -0.00 0.35 0.15 0.00 -0.00 0.00 0.00 58.31 58.81 3i8i n LYS 56 Cb 0.15 -1.55 0.87 0.00 0.00 0.00 0.00 35.03 34.50 3i8i n LYS 56 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.40 177.47 3i8i h ARG 57 N -1.00 0.00 0.44 1.64 -0.00 -0.66 0.68 114.38 115.48 3i8i h ARG 57 Ca -0.23 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.73 3i8i h ARG 57 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.06 3i8i h ARG 57 CO -0.14 0.06 -0.21 1.25 -0.00 0.00 0.00 179.97 180.92 3i8i h LEU 58 N 0.00 -0.50 -0.44 0.08 5.85 -0.79 -0.87 115.31 118.64 3i8i h LEU 58 Ca -0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3i8i h LEU 58 Cb 0.19 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3i8i h LEU 58 CO 0.01 -0.19 0.00 0.00 -0.34 0.00 0.00 178.44 177.92 3i8i n ALA 59 N -2.57 1.34 0.08 1.25 0.00 -1.01 0.21 120.51 119.81 3i8i n ALA 59 Ca -0.07 0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.31 3i8i n ALA 59 Cb 0.23 -1.21 -0.07 0.00 0.00 0.00 0.00 19.45 18.40 3i8i n ALA 59 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3i8i h GLU 60 N 0.00 0.16 -0.38 0.00 4.57 0.57 -0.64 114.58 118.86 3i8i h GLU 60 Ca 0.00 -0.22 -0.16 0.00 -1.18 0.00 0.00 59.36 57.81 3i8i h GLU 60 Cb 0.15 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 3i8i h GLU 60 CO 0.00 1.03 -0.37 0.00 -1.18 0.00 0.00 179.01 178.49 3i8i h ARG 61 N 0.07 0.93 -0.06 1.92 2.47 0.12 0.62 114.38 120.45 3i8i h ARG 61 Ca -0.06 -0.49 -0.15 0.00 -1.26 0.00 0.00 59.98 58.02 3i8i h ARG 61 Cb 1.70 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 30.02 3i8i h ARG 61 CO 0.15 1.14 -0.64 -0.22 0.56 0.00 0.00 179.97 180.97 3i8i h LYS 62 N 0.75 0.23 0.00 0.04 3.64 -1.49 -0.10 116.57 119.63 3i8i h LYS 62 Ca 0.06 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3i8i h LYS 62 Cb 0.97 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3i8i h LYS 62 CO 0.09 0.79 0.00 0.00 -2.27 0.00 0.00 179.45 178.06 3i8i h ALA 63 N 1.17 1.00 0.00 5.00 0.00 -0.67 -2.79 119.26 122.97 3i8i h ALA 63 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i8i h ALA 63 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3i8i h ALA 63 CO 0.10 0.00 -0.00 1.49 0.00 0.00 0.00 179.25 180.83 3i8i h GLU 64 N 0.00 0.00 0.00 0.00 4.57 0.94 -3.32 114.58 116.78 3i8i h GLU 64 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3i8i h GLU 64 Cb 0.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 3i8i h GLU 64 CO 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.83 3i8i n ALA 65 N -2.09 -0.01 -0.43 2.92 0.00 -0.67 0.21 120.51 120.44 3i8i n ALA 65 Ca -0.00 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.80 3i8i n ALA 65 Cb 0.00 0.49 0.60 0.00 0.00 0.00 0.00 19.45 20.54 3i8i n ALA 65 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3i8i n GLU 66 N -2.94 -0.03 0.19 0.00 0.28 -1.06 -0.04 120.64 117.06 3i8i n GLU 66 Ca 0.00 1.06 -0.08 0.00 -0.16 0.00 0.00 57.16 57.98 3i8i n GLU 66 Cb 0.00 -2.13 -0.04 0.00 1.43 0.00 0.00 31.44 30.71 3i8i n GLU 66 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 3i8i h ARG 67 N 0.00 -0.48 -2.00 3.44 2.43 -0.33 -3.11 114.38 114.34 3i8i h ARG 67 Ca 0.76 0.03 -0.23 0.00 -0.81 0.00 0.00 59.98 59.73 3i8i h ARG 67 Cb 2.55 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 32.13 3i8i h ARG 67 CO -0.35 -0.32 -0.24 1.28 -1.51 0.00 0.00 179.97 178.83 3i8i n LEU 68 N -3.47 5.45 0.00 3.80 4.32 0.95 -3.17 117.00 124.87 3i8i n LEU 68 Ca -0.06 -3.29 0.00 0.00 -0.02 0.00 0.00 56.01 52.64 3i8i n LEU 68 Cb 0.20 -1.37 0.00 0.00 -1.62 0.00 0.00 43.42 40.62 3i8i n LEU 68 CO 0.15 1.67 -0.31 1.17 -1.22 0.00 0.00 177.39 178.85 3i8i n LYS 69 N 2.18 0.00 -0.10 3.23 4.81 -1.01 -4.53 118.16 122.74 3i8i n LYS 69 Ca 0.42 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.87 3i8i n LYS 69 Cb 0.84 -0.73 0.05 0.00 0.02 0.00 0.00 35.03 35.21 3i8i n LYS 69 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3i8i n GLU 70 N -2.23 1.43 0.00 1.64 4.71 -1.19 -0.42 120.64 124.58 3i8i n GLU 70 Ca 0.00 -0.38 0.00 0.00 -0.01 0.00 0.00 57.16 56.77 3i8i n GLU 70 Cb 0.31 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.26 3i8i n GLU 70 CO 0.00 0.00 0.00 1.51 0.09 0.00 0.00 177.13 178.73 3i8i n ILE 71 N 0.01 0.00 -0.01 -3.67 0.00 -1.26 -4.67 119.36 109.76 3i8i n ILE 71 Ca 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 62.75 62.50 3i8i n ILE 71 Cb 0.31 0.99 -0.01 0.00 0.00 0.00 0.00 39.64 40.92 3i8i n ILE 71 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3i8i n LEU 72 N -0.53 2.65 0.00 9.51 7.94 -1.03 -4.47 117.00 131.06 3i8i n LEU 72 Ca 0.00 -0.01 0.13 0.00 -1.11 0.00 0.00 56.01 55.02 3i8i n LEU 72 Cb 0.00 -0.09 0.68 0.00 0.53 0.00 0.00 43.42 44.55 3i8i n LEU 72 CO 0.00 0.50 0.96 1.21 -1.11 0.00 0.00 177.39 178.94 3i8i n GLU 73 N -2.53 0.40 -0.01 1.96 2.13 0.44 -4.16 120.64 118.86 3i8i n GLU 73 Ca -0.05 0.03 -0.01 0.00 0.66 0.00 0.00 57.16 57.78 3i8i n GLU 73 Cb 0.56 -1.50 -0.00 0.00 0.27 0.00 0.00 31.44 30.77 3i8i n GLU 73 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 3i8i n ASN 74 N -1.28 0.30 -4.80 4.31 2.04 -1.26 -4.93 115.26 109.65 3i8i n ASN 74 Ca 0.13 0.11 -0.34 0.00 -0.44 0.00 0.00 54.58 54.04 3i8i n ASN 74 Cb 0.21 -0.54 -0.02 0.00 -2.53 0.00 0.00 39.78 36.90 3i8i n ASN 74 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 3i8i s LEU 75 N -5.38 3.77 0.00 -4.53 1.02 -1.26 -5.06 118.68 107.24 3i8i s LEU 75 Ca -0.04 1.94 0.00 0.00 0.02 0.00 0.00 54.13 56.05 3i8i s LEU 75 Cb 0.01 -4.56 0.00 0.00 0.02 0.00 0.00 46.19 41.66 3i8i s LEU 75 CO 0.06 -0.91 0.00 0.41 0.02 0.00 0.00 176.35 175.93 3i8i n THR 76 N -1.21 0.00 0.00 5.49 -1.04 -1.26 -4.83 114.28 111.43 3i8i n THR 76 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3i8i n THR 76 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 3i8i n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i8i n LEU 77 N 0.00 0.00 0.00 -4.42 -0.00 -1.26 -5.01 117.00 106.31 3i8i n LEU 77 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3i8i n LEU 77 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3i8i n LEU 77 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 177.39 177.74 3i8i n THR 78 N 0.00 0.00 0.00 1.47 -2.24 -1.26 -4.72 114.28 107.53 3i8i n THR 78 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i8i n THR 78 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3i8i n THR 78 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3i8i n ILE 79 N 0.00 0.00 -2.93 2.28 2.08 -1.23 -3.40 119.36 116.16 3i8i n ILE 79 Ca 0.00 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.89 3i8i n ILE 79 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 38.84 3i8i n ILE 79 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3i8i s PRO 80 N -0.56 4.09 -0.07 0.38 0.04 -1.26 0.98 135.00 138.60 3i8i s PRO 80 Ca 0.00 0.77 -0.03 0.00 0.04 0.00 0.00 61.00 61.78 3i8i s PRO 80 Cb 0.00 -3.68 0.04 0.00 0.04 0.00 0.00 34.50 30.90 3i8i s PRO 80 CO 0.00 -0.57 0.15 0.14 0.04 0.00 0.00 177.00 176.77 3i8i s VAL 81 N 2.85 -0.08 -0.55 -0.36 -7.23 -1.11 -4.88 120.40 109.03 3i8i s VAL 81 Ca 0.33 0.21 -0.27 0.00 -1.81 0.00 0.00 61.98 60.44 3i8i s VAL 81 Cb -0.15 -0.26 -0.09 0.00 0.56 0.00 0.00 36.38 36.44 3i8i s VAL 81 CO 0.09 0.09 2.45 0.54 -0.31 0.00 0.00 175.10 177.96 3i8i n ARG 82 N 4.39 0.91 -0.00 4.82 5.12 -1.26 -2.94 116.66 127.70 3i8i n ARG 82 Ca -0.23 -0.00 0.06 0.00 -1.93 0.00 0.00 57.85 55.75 3i8i n ARG 82 Cb 0.51 -3.20 -0.09 0.00 -1.16 0.00 0.00 32.46 28.53 3i8i n ARG 82 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i8i n ALA 83 N 15.22 2.83 -0.77 7.54 0.00 -1.26 -2.66 120.51 141.42 3i8i n ALA 83 Ca 0.41 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3i8i n ALA 83 Cb 0.48 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.50 3i8i n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8i n GLY 84 N 1.62 1.24 2.91 0.00 0.00 -1.26 -3.81 105.19 105.88 3i8i n GLY 84 Ca -0.01 0.50 -0.26 0.00 0.00 0.00 0.00 46.02 46.25 3i8i n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i8i s GLU 85 N 0.00 1.49 -1.07 1.61 -6.30 -1.26 -4.88 118.70 108.29 3i8i s GLU 85 Ca 0.00 -0.25 -0.06 0.00 -2.50 0.00 0.00 54.97 52.17 3i8i s GLU 85 Cb 0.00 -1.54 0.06 0.00 0.00 0.00 0.00 34.13 32.64 3i8i s GLU 85 CO 0.00 -0.25 0.14 2.41 0.02 0.00 0.00 175.26 177.58 3i8i n THR 86 N 4.87 -0.41 0.00 -1.70 -1.04 -1.26 -4.82 114.28 109.92 3i8i n THR 86 Ca -0.13 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 3i8i n THR 86 Cb 0.50 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 3i8i n THR 86 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3i8i n LYS 87 N -3.11 0.00 -1.82 -2.82 4.81 -1.25 -4.09 118.16 109.88 3i8i n LYS 87 Ca -0.11 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 56.96 3i8i n LYS 87 Cb 0.39 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.50 3i8i n LYS 87 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3i8i s ILE 88 N 0.00 2.19 0.03 3.15 -1.09 -1.26 -4.56 121.20 119.66 3i8i s ILE 88 Ca 0.00 0.12 -0.16 0.00 -2.23 0.00 0.00 60.65 58.38 3i8i s ILE 88 Cb 0.00 -3.05 -0.35 0.00 -1.58 0.00 0.00 42.46 37.48 3i8i s ILE 88 CO 0.00 -0.02 1.02 1.88 -1.23 0.00 0.00 174.94 176.58 3i8i h TYR 89 N 0.68 1.00 -0.82 3.97 -1.99 -1.78 -3.43 116.97 114.60 3i8i h TYR 89 Ca -0.51 -0.71 0.00 0.00 2.00 0.00 0.00 58.73 59.52 3i8i h TYR 89 Cb 1.33 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 40.01 3i8i h TYR 89 CO 0.43 1.55 0.00 0.41 -0.00 0.00 0.00 178.16 180.55 3i8i n GLY 90 N 1.65 2.81 3.18 3.88 0.00 -1.26 -5.15 105.19 110.31 3i8i n GLY 90 Ca -0.16 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 43.91 3i8i n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i8i s SER 91 N -0.43 0.25 -0.61 1.61 1.04 -1.26 -4.83 113.70 109.46 3i8i s SER 91 Ca 0.00 -1.19 0.04 0.00 0.48 0.00 0.00 55.95 55.28 3i8i s SER 91 Cb 0.00 0.33 0.34 0.00 0.10 0.00 0.00 66.02 66.79 3i8i s SER 91 CO 0.00 -0.77 1.05 0.55 0.98 0.00 0.00 173.24 175.05 3i8i n VAL 92 N -0.14 3.32 -0.74 5.02 3.14 -0.59 -5.01 118.33 123.32 3i8i n VAL 92 Ca -0.05 -5.57 -0.33 0.00 -2.96 0.00 0.00 64.34 55.44 3i8i n VAL 92 Cb 0.64 -1.40 0.14 0.00 -1.06 0.00 0.00 33.84 32.16 3i8i n VAL 92 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3i8i n THR 93 N -0.25 0.00 -0.13 1.55 -2.24 -1.26 -4.18 114.28 107.77 3i8i n THR 93 Ca 0.33 -0.26 -0.10 0.00 -2.27 0.00 0.00 64.05 61.75 3i8i n THR 93 Cb 0.40 -0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 68.05 3i8i n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8i h ALA 94 N -1.80 0.52 -0.93 6.98 0.00 -1.96 0.14 119.26 122.21 3i8i h ALA 94 Ca -0.49 -0.24 0.27 0.00 0.00 0.00 0.00 54.91 54.45 3i8i h ALA 94 Cb 1.33 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 3i8i h ALA 94 CO 0.36 0.27 0.72 -0.22 0.00 0.00 0.00 179.25 180.37 3i8i h LYS 95 N 0.49 0.00 0.16 0.00 3.11 -1.92 0.60 116.57 119.02 3i8i h LYS 95 Ca 0.11 0.00 -0.30 0.00 -2.81 0.00 0.00 60.65 57.65 3i8i h LYS 95 Cb 0.43 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.67 3i8i h LYS 95 CO 0.02 0.00 -1.41 -0.44 -2.81 0.00 0.00 179.45 174.81 3i8i h ASP 96 N 0.00 0.53 0.00 4.20 3.45 -1.10 -3.17 116.42 120.33 3i8i h ASP 96 Ca 0.44 -0.62 0.00 0.00 0.43 0.00 0.00 57.03 57.28 3i8i h ASP 96 Cb 1.88 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 40.48 3i8i h ASP 96 CO -0.00 1.49 0.06 -0.38 -1.57 0.00 0.00 179.24 178.84 3i8i n ILE 97 N -3.56 1.49 0.00 0.35 2.08 0.21 -2.19 119.36 117.73 3i8i n ILE 97 Ca -0.14 0.59 0.00 0.00 0.56 0.00 0.00 62.75 63.76 3i8i n ILE 97 Cb 1.05 -1.59 0.00 0.00 -0.75 0.00 0.00 39.64 38.36 3i8i n ILE 97 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i8i n ALA 98 N -1.55 0.00 -0.28 -1.39 0.00 -1.01 -1.83 120.51 114.45 3i8i n ALA 98 Ca -0.00 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.67 3i8i n ALA 98 Cb 0.07 0.00 0.44 0.00 0.00 0.00 0.00 19.45 19.96 3i8i n ALA 98 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i8i n GLU 99 N -0.15 -0.05 0.00 0.00 0.00 -1.15 -0.61 120.64 118.67 3i8i n GLU 99 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 57.16 58.35 3i8i n GLU 99 Cb 0.00 -2.08 0.00 0.00 0.00 0.00 0.00 31.44 29.36 3i8i n GLU 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i8i n ALA 100 N -2.59 -0.05 -0.36 4.31 0.00 -0.93 -2.15 120.51 118.75 3i8i n ALA 100 Ca 0.29 0.00 0.29 0.00 0.00 0.00 0.00 53.44 54.02 3i8i n ALA 100 Cb 0.98 0.03 0.58 0.00 0.00 0.00 0.00 19.45 21.04 3i8i n ALA 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3i8i h LEU 101 N 0.00 0.33 0.00 0.00 6.46 -0.57 -3.20 115.31 118.32 3i8i h LEU 101 Ca 0.00 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 3i8i h LEU 101 Cb 0.00 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 3i8i h LEU 101 CO 0.00 -0.00 0.00 -1.20 -0.62 0.00 0.00 178.44 176.62 3i8i n SER 102 N -4.58 0.00 -3.63 1.25 7.64 0.22 -2.35 113.62 112.16 3i8i n SER 102 Ca 0.29 0.01 -0.43 0.00 1.01 0.00 0.00 58.87 59.74 3i8i n SER 102 Cb 1.10 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 64.24 3i8i n SER 102 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i8i n ARG 103 N -0.01 1.43 0.00 1.43 1.74 -0.91 0.97 116.66 121.31 3i8i n ARG 103 Ca 0.00 -1.81 0.00 0.00 -0.77 0.00 0.00 57.85 55.27 3i8i n ARG 103 Cb 0.00 -2.91 0.00 0.00 -1.02 0.00 0.00 32.46 28.53 3i8i n ARG 103 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3i8i n GLN 104 N 7.07 0.00 0.00 5.56 7.27 -1.23 -4.88 117.38 131.17 3i8i n GLN 104 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.56 3i8i n GLN 104 Cb 0.41 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.06 3i8i n GLN 104 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3i8i n HIS 105 N -0.09 0.00 -3.09 3.69 8.25 -0.39 -5.05 115.22 118.53 3i8i n HIS 105 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 3i8i n HIS 105 Cb 0.00 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.17 3i8i n HIS 105 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i8i n GLY 106 N 0.00 0.00 3.19 -1.41 0.00 0.27 -5.02 105.19 102.23 3i8i n GLY 106 Ca 0.00 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 3i8i n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8i s VAL 107 N -3.21 1.39 -0.13 1.61 1.01 -1.24 -5.03 120.40 114.81 3i8i s VAL 107 Ca 0.26 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.20 3i8i s VAL 107 Cb -0.11 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 3i8i s VAL 107 CO 0.45 0.15 -0.17 0.42 0.00 0.00 0.00 175.10 175.95 3i8i s THR 108 N -0.76 2.70 0.00 3.92 -4.23 -1.26 -3.36 115.64 112.64 3i8i s THR 108 Ca 0.05 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 3i8i s THR 108 Cb -0.08 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 71.65 3i8i s THR 108 CO 0.01 0.53 0.00 2.30 -0.54 0.00 0.00 174.62 176.92 3i8i n ILE 109 N 3.64 0.00 0.01 2.99 -5.35 -1.26 -5.12 119.36 114.27 3i8i n ILE 109 Ca -0.19 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 3i8i n ILE 109 Cb 0.53 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 3i8i n ILE 109 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3i8i n ASP 110 N 0.00 0.15 0.07 7.28 8.00 -1.26 -4.97 116.55 125.82 3i8i n ASP 110 Ca 0.00 0.02 0.13 0.00 0.71 0.00 0.00 54.79 55.65 3i8i n ASP 110 Cb 0.00 -0.04 0.45 0.00 -0.02 0.00 0.00 41.12 41.51 3i8i n ASP 110 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3i8i n PRO 111 N -2.64 0.18 -1.58 -0.24 -0.04 -1.26 -5.05 135.00 124.37 3i8i n PRO 111 Ca 0.00 0.14 -0.62 0.00 -0.04 0.00 0.00 63.50 62.98 3i8i n PRO 111 Cb 0.00 -1.70 -0.09 0.00 -0.04 0.00 0.00 33.50 31.67 3i8i n PRO 111 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3i8i n LYS 112 N -2.02 0.00 -1.55 0.54 2.85 -1.26 -2.37 118.16 114.35 3i8i n LYS 112 Ca 0.06 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.32 3i8i n LYS 112 Cb 0.40 -1.47 0.00 0.00 -0.65 0.00 0.00 35.03 33.31 3i8i n LYS 112 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 3i8i n ARG 113 N 2.57 -0.06 0.05 -1.58 3.00 -1.26 -5.03 116.66 114.35 3i8i n ARG 113 Ca 0.24 0.16 0.00 0.00 -0.00 0.00 0.00 57.85 58.26 3i8i n ARG 113 Cb 0.02 -1.63 0.00 0.00 0.00 0.00 0.00 32.46 30.84 3i8i n ARG 113 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3i8i n LEU 114 N -1.41 0.45 0.00 6.15 -0.00 -1.00 -4.35 117.00 116.85 3i8i n LEU 114 Ca -0.00 0.15 0.00 0.00 -0.00 0.00 0.00 56.01 56.16 3i8i n LEU 114 Cb 0.50 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 3i8i n LEU 114 CO 0.02 -0.66 0.00 0.00 -0.00 0.00 0.00 177.39 176.74 3i8i n ALA 115 N -3.10 0.00 -1.08 1.96 0.00 -1.26 -4.22 120.51 112.80 3i8i n ALA 115 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 3i8i n ALA 115 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3i8i n ALA 115 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i8i n LEU 116 N 0.00 6.50 -4.57 0.00 7.94 -1.26 -4.85 117.00 120.76 3i8i n LEU 116 Ca 0.00 -3.57 -0.28 0.00 -1.11 0.00 0.00 56.01 51.05 3i8i n LEU 116 Cb 0.00 -1.42 -0.05 0.00 0.53 0.00 0.00 43.42 42.47 3i8i n LEU 116 CO 0.00 1.74 1.44 -1.61 -1.11 0.00 0.00 177.39 177.85 3i8i s GLU 117 N 1.63 2.57 0.20 1.96 0.41 -1.26 -4.41 118.70 119.80 3i8i s GLU 117 Ca 0.65 -0.76 0.00 0.00 -0.41 0.00 0.00 54.97 54.45 3i8i s GLU 117 Cb 0.25 -5.16 0.00 0.00 -1.78 0.00 0.00 34.13 27.43 3i8i s GLU 117 CO -0.03 -3.63 0.00 1.63 -0.49 0.00 0.00 175.26 172.74 3i8i n LYS 118 N 8.57 -3.53 -1.21 1.61 4.76 -1.26 -4.86 118.16 122.24 3i8i n LYS 118 Ca 0.42 2.60 -0.38 0.00 -2.87 0.00 0.00 58.31 58.09 3i8i n LYS 118 Cb 0.47 -2.75 0.02 0.00 -1.84 0.00 0.00 35.03 30.93 3i8i n LYS 118 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3i8i n PRO 119 N 0.67 0.05 -2.95 1.97 -0.02 -1.26 -4.84 135.00 128.62 3i8i n PRO 119 Ca 0.00 0.02 -0.41 0.00 -2.02 0.00 0.00 63.50 61.09 3i8i n PRO 119 Cb 0.00 -1.09 -0.05 0.00 -0.02 0.00 0.00 33.50 32.34 3i8i n PRO 119 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3i8i s ILE 120 N -1.98 4.91 0.33 4.25 1.10 -1.26 -4.95 121.20 123.61 3i8i s ILE 120 Ca 0.55 1.51 0.08 0.00 -0.51 0.00 0.00 60.65 62.27 3i8i s ILE 120 Cb -0.42 -4.08 -0.06 0.00 0.15 0.00 0.00 42.46 38.04 3i8i s ILE 120 CO 0.69 0.04 -0.06 -0.75 -2.11 0.00 0.00 174.94 172.75 3i8i s LYS 121 N 2.16 1.75 0.35 3.50 2.20 -1.26 -1.55 119.74 126.89 3i8i s LYS 121 Ca 0.35 -1.92 0.00 0.00 -0.36 0.00 0.00 55.97 54.04 3i8i s LYS 121 Cb -0.16 -1.47 0.00 0.00 -1.51 0.00 0.00 37.83 34.69 3i8i s LYS 121 CO 0.11 0.06 0.00 0.39 -0.36 0.00 0.00 175.35 175.55 3i8i n GLU 122 N -0.75 -2.47 -1.62 4.03 1.02 -1.26 -4.82 120.64 114.76 3i8i n GLU 122 Ca -0.05 1.92 -0.29 0.00 -0.02 0.00 0.00 57.16 58.72 3i8i n GLU 122 Cb 0.64 -2.40 0.17 0.00 -0.02 0.00 0.00 31.44 29.83 3i8i n GLU 122 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3i8i s LEU 123 N -4.40 2.05 0.00 -4.62 1.43 -1.26 -4.69 118.68 107.19 3i8i s LEU 123 Ca 0.00 0.65 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 3i8i s LEU 123 Cb 0.00 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.43 3i8i s LEU 123 CO 0.00 -2.83 0.00 0.61 0.23 0.00 0.00 176.35 174.36 3i8i n GLY 124 N -2.61 0.27 2.43 -3.19 0.00 -1.26 -4.92 105.19 95.90 3i8i n GLY 124 Ca 0.11 -1.66 -0.27 0.00 0.00 0.00 0.00 46.02 44.20 3i8i n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i8i s GLU 125 N -2.00 0.89 0.32 1.61 0.41 -1.26 -3.64 118.70 115.03 3i8i s GLU 125 Ca 0.00 -1.99 -0.04 0.00 -0.41 0.00 0.00 54.97 52.53 3i8i s GLU 125 Cb 0.00 -1.47 -0.05 0.00 -1.78 0.00 0.00 34.13 30.84 3i8i s GLU 125 CO 0.00 -1.35 0.57 0.71 -0.49 0.00 0.00 175.26 174.71 3i8i s TYR 126 N 0.22 3.49 -0.36 1.61 1.51 -1.24 -4.94 117.35 117.65 3i8i s TYR 126 Ca 0.30 0.58 0.02 0.00 -1.01 0.00 0.00 57.07 56.96 3i8i s TYR 126 Cb -0.02 -2.07 0.11 0.00 -0.11 0.00 0.00 41.96 39.87 3i8i s TYR 126 CO -0.15 0.12 0.10 0.08 -1.11 0.00 0.00 175.55 174.58 3i8i s VAL 127 N -2.20 1.82 -0.04 0.71 1.01 -1.26 -1.44 120.40 118.99 3i8i s VAL 127 Ca 0.43 -2.17 -0.03 0.00 0.00 0.00 0.00 61.98 60.21 3i8i s VAL 127 Cb -0.10 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3i8i s VAL 127 CO 0.33 -0.66 0.11 -0.22 0.00 0.00 0.00 175.10 174.66 3i8i s LEU 128 N 0.96 4.11 0.75 3.92 1.98 0.15 -4.82 118.68 125.73 3i8i s LEU 128 Ca 0.12 0.27 -0.12 0.00 -2.89 0.00 0.00 54.13 51.52 3i8i s LEU 128 Cb -0.20 -2.27 0.04 0.00 0.66 0.00 0.00 46.19 44.42 3i8i s LEU 128 CO -0.12 0.31 1.13 0.42 -1.89 0.00 0.00 176.35 176.20 3i8i s THR 129 N -1.16 2.90 0.00 3.68 -4.23 -1.26 -0.06 115.64 115.51 3i8i s THR 129 Ca 0.21 0.29 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 3i8i s THR 129 Cb -0.12 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.45 3i8i s THR 129 CO 0.12 -0.38 0.00 0.00 -0.54 0.00 0.00 174.62 173.81 3i8i n TYR 130 N -3.15 -0.02 -2.10 3.99 9.36 0.12 -4.43 117.16 120.92 3i8i n TYR 130 Ca 0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.29 3i8i n TYR 130 Cb 0.59 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.30 3i8i n TYR 130 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3i8i n LYS 131 N 0.00 0.00 -3.36 2.98 4.01 -1.26 -3.55 118.16 116.99 3i8i n LYS 131 Ca 0.00 0.00 -0.38 0.00 -0.51 0.00 0.00 58.31 57.42 3i8i n LYS 131 Cb 0.00 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 34.46 3i8i n LYS 131 CO 0.00 0.00 0.00 -2.14 -1.11 0.00 0.00 177.40 174.15 3i8i s PRO 132 N 1.45 4.09 0.25 1.97 0.02 -1.26 -4.72 135.00 136.81 3i8i s PRO 132 Ca 0.00 0.62 0.00 0.00 0.02 0.00 0.00 61.00 61.64 3i8i s PRO 132 Cb 0.00 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.30 3i8i s PRO 132 CO 0.00 0.65 0.00 -2.39 -0.33 0.00 0.00 177.00 174.93 3i8i n HIS 133 N 1.72 -1.73 -3.39 6.54 1.44 -1.26 -4.53 115.22 114.01 3i8i n HIS 133 Ca -0.11 0.93 0.00 0.00 -2.01 0.00 0.00 57.72 56.53 3i8i n HIS 133 Cb 0.51 -1.57 0.00 0.00 0.12 0.00 0.00 29.99 29.05 3i8i n HIS 133 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 3i8i n PRO 134 N -3.32 -0.80 -0.49 -1.40 -0.02 -1.26 -4.78 135.00 122.92 3i8i n PRO 134 Ca -0.03 -0.40 -0.28 0.00 -2.02 0.00 0.00 63.50 60.78 3i8i n PRO 134 Cb 0.45 0.71 0.22 0.00 -0.02 0.00 0.00 33.50 34.86 3i8i n PRO 134 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3i8i n GLU 135 N -0.82 -2.75 -3.81 -0.52 -0.00 -1.26 -4.88 120.64 106.61 3i8i n GLU 135 Ca 0.00 -0.80 -0.14 0.00 -0.00 0.00 0.00 57.16 56.22 3i8i n GLU 135 Cb 0.00 -1.79 -0.15 0.00 -0.00 0.00 0.00 31.44 29.50 3i8i n GLU 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3i8i s VAL 136 N -2.20 -0.04 -0.13 3.84 0.11 -1.23 -4.99 120.40 115.77 3i8i s VAL 136 Ca 0.57 0.13 -0.16 0.00 -2.93 0.00 0.00 61.98 59.59 3i8i s VAL 136 Cb -0.13 -0.05 -0.04 0.00 -1.53 0.00 0.00 36.38 34.62 3i8i s VAL 136 CO 0.56 0.05 0.39 -2.16 -3.33 0.00 0.00 175.10 170.62 3i8i s PRO 137 N 0.65 4.27 -0.06 1.54 0.04 -1.26 0.12 135.00 140.31 3i8i s PRO 137 Ca -0.05 0.29 0.06 0.00 0.04 0.00 0.00 61.00 61.33 3i8i s PRO 137 Cb -0.08 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.04 3i8i s PRO 137 CO -0.02 0.23 -0.23 -1.50 0.04 0.00 0.00 177.00 175.53 3i8i s ILE 138 N 0.43 1.88 0.16 0.56 2.07 0.91 -4.52 121.20 122.70 3i8i s ILE 138 Ca 0.22 -0.97 0.06 0.00 -1.41 0.00 0.00 60.65 58.55 3i8i s ILE 138 Cb -0.14 -1.59 -0.04 0.00 0.13 0.00 0.00 42.46 40.81 3i8i s ILE 138 CO 0.08 0.53 0.04 0.00 -1.91 0.00 0.00 174.94 173.67 3i8i s GLN 139 N -0.09 2.58 0.04 3.50 1.03 -1.26 0.30 119.66 125.76 3i8i s GLN 139 Ca -0.04 -1.01 -0.15 0.00 0.04 0.00 0.00 55.36 54.20 3i8i s GLN 139 Cb -0.13 -2.47 0.03 0.00 0.03 0.00 0.00 33.01 30.47 3i8i s GLN 139 CO 0.03 0.47 0.35 -0.48 -2.54 0.00 0.00 175.29 173.12 3i8i s LEU 140 N -2.94 0.70 0.29 2.60 2.34 -0.52 -4.60 118.68 116.54 3i8i s LEU 140 Ca 0.28 -0.11 -0.06 0.00 0.06 0.00 0.00 54.13 54.30 3i8i s LEU 140 Cb -0.10 1.50 -0.06 0.00 -0.56 0.00 0.00 46.19 46.97 3i8i s LEU 140 CO 0.20 -0.63 0.57 -0.54 -1.06 0.00 0.00 176.35 174.89 3i8i s LYS 141 N -2.48 3.67 -0.40 1.48 1.02 -1.22 -3.65 119.74 118.16 3i8i s LYS 141 Ca -0.05 0.09 0.02 0.00 0.02 0.00 0.00 55.97 56.04 3i8i s LYS 141 Cb -0.01 -2.63 0.12 0.00 -0.52 0.00 0.00 37.83 34.79 3i8i s LYS 141 CO -0.03 0.21 0.18 0.14 -0.92 0.00 0.00 175.35 174.93 3i8i s VAL 142 N -2.05 1.56 0.00 3.17 -7.23 -1.24 -3.47 120.40 111.14 3i8i s VAL 142 Ca 0.45 -2.33 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 3i8i s VAL 142 Cb -0.11 -2.12 0.00 0.00 0.56 0.00 0.00 36.38 34.71 3i8i s VAL 142 CO 0.28 -0.78 0.00 -1.20 -0.31 0.00 0.00 175.10 173.09 3i8i n SER 143 N 3.92 0.00 -4.43 4.85 7.64 0.27 -4.50 113.62 121.38 3i8i n SER 143 Ca 0.05 -0.74 -0.21 0.00 1.01 0.00 0.00 58.87 58.97 3i8i n SER 143 Cb 0.37 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.47 3i8i n SER 143 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i8i s VAL 144 N 0.23 1.70 0.00 0.44 0.11 -1.26 -2.77 120.40 118.86 3i8i s VAL 144 Ca 0.00 -2.14 0.00 0.00 -2.93 0.00 0.00 61.98 56.91 3i8i s VAL 144 Cb 0.00 -2.42 0.00 0.00 -1.53 0.00 0.00 36.38 32.43 3i8i s VAL 144 CO 0.00 -0.32 0.00 1.33 -3.33 0.00 0.00 175.10 172.78 3i8i n VAL 145 N -0.58 0.00 0.15 2.04 0.24 -1.15 -4.34 118.33 114.70 3i8i n VAL 145 Ca -0.06 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.26 3i8i n VAL 145 Cb 0.63 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 33.02 3i8i n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69