#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1i s GLN 8 N 0.00 2.06 -0.02 3.44 2.00 -1.26 -4.96 119.66 120.92 1s1i s GLN 8 Ca 0.00 0.37 -0.00 0.00 -2.00 0.00 0.00 55.36 53.73 1s1i s GLN 8 Cb 0.00 -1.94 0.03 0.00 0.80 0.00 0.00 33.01 31.90 1s1i s GLN 8 CO 0.00 -1.57 0.03 -0.65 -0.50 0.00 0.00 175.29 172.60 1s1i s GLN 9 N -5.36 -0.04 -0.10 1.67 1.11 -1.26 -4.19 119.66 111.49 1s1i s GLN 9 Ca 0.61 0.20 0.04 0.00 0.01 0.00 0.00 55.36 56.22 1s1i s GLN 9 Cb -0.13 -0.25 -0.00 0.00 -1.01 0.00 0.00 33.01 31.62 1s1i s GLN 9 CO 0.52 -0.17 -0.22 -1.50 0.01 0.00 0.00 175.29 173.92 1s1i s ILE 10 N 1.11 2.23 -0.19 1.08 -1.16 -1.24 -5.01 121.20 118.03 1s1i s ILE 10 Ca -0.09 -0.97 0.01 0.00 -0.51 0.00 0.00 60.65 59.09 1s1i s ILE 10 Cb -0.13 -1.86 0.04 0.00 0.61 0.00 0.00 42.46 41.12 1s1i s ILE 10 CO -0.03 0.56 -0.10 -1.83 -2.81 0.00 0.00 174.94 170.73 1s1i s GLU 11 N 0.25 1.93 0.00 3.50 4.04 -1.26 -3.23 118.70 123.93 1s1i s GLU 11 Ca -0.15 -0.77 0.00 0.00 0.04 0.00 0.00 54.97 54.09 1s1i s GLU 11 Cb -0.17 -2.33 0.00 0.00 0.02 0.00 0.00 34.13 31.65 1s1i s GLU 11 CO 0.08 -0.42 0.00 1.55 -1.84 0.00 0.00 175.26 174.63 1s1i n VAL 12 N 4.72 0.00 -3.52 1.83 3.14 -1.26 -4.93 118.33 118.31 1s1i n VAL 12 Ca -0.14 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.01 1s1i n VAL 12 Cb 0.47 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.26 1s1i n VAL 12 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1s1i s PRO 13 N -2.00 2.33 0.59 1.45 0.04 -1.26 -4.91 135.00 131.24 1s1i s PRO 13 Ca 0.00 -1.80 -0.14 0.00 0.04 0.00 0.00 61.00 59.11 1s1i s PRO 13 Cb 0.00 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 1s1i s PRO 13 CO 0.00 -0.63 1.02 -1.83 0.04 0.00 0.00 177.00 175.59 1s1i s GLU 14 N -4.40 3.62 0.00 4.56 1.03 -1.26 -3.39 118.70 118.86 1s1i s GLU 14 Ca 0.46 0.90 0.00 0.00 0.03 0.00 0.00 54.97 56.36 1s1i s GLU 14 Cb -0.04 -2.08 0.00 0.00 -0.80 0.00 0.00 34.13 31.21 1s1i s GLU 14 CO 0.29 -0.55 0.00 0.41 -1.33 0.00 0.00 175.26 174.08 1s1i n GLY 15 N -2.02 3.18 3.01 -3.83 0.00 -1.26 -4.98 105.19 99.29 1s1i n GLY 15 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 1s1i n GLY 15 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s1i s VAL 16 N -2.77 0.77 0.54 1.61 -7.23 -1.22 -4.02 120.40 108.09 1s1i s VAL 16 Ca 0.00 -0.37 0.02 0.00 -1.81 0.00 0.00 61.98 59.81 1s1i s VAL 16 Cb 0.00 -0.67 0.10 0.00 0.56 0.00 0.00 36.38 36.37 1s1i s VAL 16 CO 0.00 0.23 0.75 0.41 -0.31 0.00 0.00 175.10 176.18 1s1i n THR 17 N 3.15 0.00 0.00 5.32 -1.04 -1.26 -4.32 114.28 116.14 1s1i n THR 17 Ca -0.17 -1.30 0.00 0.00 -2.04 0.00 0.00 64.05 60.54 1s1i n THR 17 Cb 0.55 -0.91 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 1s1i n THR 17 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1s1i n VAL 18 N -2.41 0.00 -2.08 12.58 0.31 -1.26 -3.27 118.33 122.20 1s1i n VAL 18 Ca 0.13 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.44 1s1i n VAL 18 Cb 0.46 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 1s1i n VAL 18 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1s1i n SER 19 N 0.00 -4.69 -4.55 4.52 2.88 -1.26 -4.52 113.62 106.00 1s1i n SER 19 Ca 0.00 0.41 -0.34 0.00 -1.33 0.00 0.00 58.87 57.61 1s1i n SER 19 Cb 0.00 -2.96 -0.12 0.00 -0.75 0.00 0.00 64.21 60.38 1s1i n SER 19 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1s1i s ILE 20 N -1.32 3.61 -0.01 2.46 2.07 -1.26 -4.50 121.20 122.24 1s1i s ILE 20 Ca 0.07 -0.51 0.01 0.00 -1.41 0.00 0.00 60.65 58.81 1s1i s ILE 20 Cb -0.02 -2.48 0.00 0.00 0.13 0.00 0.00 42.46 40.10 1s1i s ILE 20 CO 0.35 0.59 -0.03 -1.59 -1.91 0.00 0.00 174.94 172.34 1s1i s LYS 21 N -0.67 0.35 -1.29 3.50 -2.85 -1.26 -4.73 119.74 112.79 1s1i s LYS 21 Ca 0.10 -0.11 -0.06 0.00 -1.00 0.00 0.00 55.97 54.90 1s1i s LYS 21 Cb -0.11 -0.36 -0.00 0.00 -2.06 0.00 0.00 37.83 35.29 1s1i s LYS 21 CO 0.02 0.05 0.62 0.45 0.10 0.00 0.00 175.35 176.58 1s1i n SER 22 N 3.18 -2.08 -1.17 0.03 2.88 -1.26 -1.74 113.62 113.45 1s1i n SER 22 Ca -0.15 -0.95 -0.14 0.00 -1.33 0.00 0.00 58.87 56.30 1s1i n SER 22 Cb 0.57 -3.50 -0.06 0.00 -0.75 0.00 0.00 64.21 60.47 1s1i n SER 22 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1s1i n ARG 23 N -4.27 -1.55 0.01 -1.46 -4.01 -1.26 -4.83 116.66 99.28 1s1i n ARG 23 Ca -0.24 0.95 -0.18 0.00 -1.04 0.00 0.00 57.85 57.34 1s1i n ARG 23 Cb 0.66 -5.28 -0.14 0.00 -3.04 0.00 0.00 32.46 24.66 1s1i n ARG 23 CO 0.00 0.00 0.00 -0.84 -3.04 0.00 0.00 177.63 173.75 1s1i h ILE 24 N 0.00 1.60 -0.50 8.89 -2.65 -1.56 -3.40 117.51 119.89 1s1i h ILE 24 Ca -0.29 -2.41 0.06 0.00 1.03 0.00 0.00 64.86 63.24 1s1i h ILE 24 Cb 1.14 3.19 -0.02 0.00 -2.05 0.00 0.00 36.82 39.09 1s1i h ILE 24 CO 0.43 0.67 -0.12 0.55 0.03 0.00 0.00 178.15 179.70 1s1i n VAL 25 N -4.30 0.00 -2.32 0.16 3.14 -1.26 -2.84 118.33 110.91 1s1i n VAL 25 Ca -0.12 0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.31 1s1i n VAL 25 Cb 0.69 -0.13 0.00 0.00 -1.06 0.00 0.00 33.84 33.34 1s1i n VAL 25 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1s1i n LYS 26 N -2.44 0.00 -0.92 1.45 0.00 -1.26 -4.37 118.16 110.62 1s1i n LYS 26 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1s1i n LYS 26 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.13 1s1i n LYS 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1s1i n VAL 27 N 0.00 0.00 0.00 0.58 0.31 -0.99 -4.73 118.33 113.51 1s1i n VAL 27 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1s1i n VAL 27 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1s1i n VAL 27 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1s1i n VAL 28 N 0.00 0.00 -2.02 2.52 0.31 -1.20 -4.62 118.33 113.31 1s1i n VAL 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1s1i n VAL 28 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1s1i n VAL 28 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s1i n GLY 29 N 0.00 5.17 0.21 2.92 0.00 -1.26 -2.53 105.19 109.69 1s1i n GLY 29 Ca 0.00 -1.11 0.05 0.00 0.00 0.00 0.00 46.02 44.96 1s1i n GLY 29 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1s1i h PRO 30 N 0.00 0.00 -7.25 1.61 0.11 -1.62 -3.31 132.00 121.54 1s1i h PRO 30 Ca 0.00 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.64 1s1i h PRO 30 Cb 0.00 0.00 0.18 0.00 0.11 0.00 0.00 31.00 31.29 1s1i h PRO 30 CO 0.00 0.30 0.15 1.03 -0.21 0.00 0.00 178.00 179.27 1s1i s ARG 31 N -4.17 0.34 0.99 1.05 1.81 0.27 -4.92 118.95 114.32 1s1i s ARG 31 Ca -0.03 1.01 -0.11 0.00 -1.72 0.00 0.00 55.73 54.88 1s1i s ARG 31 Cb 0.14 -1.69 0.18 0.00 -0.45 0.00 0.00 34.95 33.13 1s1i s ARG 31 CO 0.69 -2.92 1.10 0.20 -0.68 0.00 0.00 175.30 173.69 1s1i s GLY 32 N -2.89 1.64 0.25 -3.53 0.00 -1.26 -4.78 107.32 96.74 1s1i s GLY 32 Ca 0.66 0.30 -0.05 0.00 0.00 0.00 0.00 44.72 45.63 1s1i s GLY 32 CO 0.60 0.82 0.51 -1.59 0.00 0.00 0.00 173.10 173.43 1s1i s THR 33 N -2.62 5.06 0.10 0.90 2.01 -1.05 -4.49 115.64 115.54 1s1i s THR 33 Ca 0.67 0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.79 1s1i s THR 33 Cb -0.23 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 1s1i s THR 33 CO 0.60 -0.23 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.33 1s1i s LEU 34 N -3.32 2.30 0.21 4.42 2.01 -1.26 -4.92 118.68 118.11 1s1i s LEU 34 Ca 0.43 -0.69 0.10 0.00 0.01 0.00 0.00 54.13 53.98 1s1i s LEU 34 Cb -0.11 -0.88 -0.04 0.00 0.01 0.00 0.00 46.19 45.16 1s1i s LEU 34 CO 0.28 0.06 -0.19 0.28 1.01 0.00 0.00 176.35 177.79 1s1i s THR 35 N -1.18 2.07 -0.21 5.49 -1.32 -1.26 -2.34 115.64 116.90 1s1i s THR 35 Ca 0.06 -2.11 -0.11 0.00 -1.21 0.00 0.00 61.69 58.32 1s1i s THR 35 Cb -0.10 -2.05 0.07 0.00 -1.51 0.00 0.00 72.50 68.92 1s1i s THR 35 CO 0.04 -0.34 0.51 -0.75 -2.21 0.00 0.00 174.62 171.87 1s1i s LYS 36 N -3.09 0.49 0.09 7.08 2.47 -1.13 -4.96 119.74 120.69 1s1i s LYS 36 Ca 0.21 0.99 -0.27 0.00 -1.56 0.00 0.00 55.97 55.34 1s1i s LYS 36 Cb -0.05 0.12 -0.13 0.00 -1.46 0.00 0.00 37.83 36.30 1s1i s LYS 36 CO 0.09 -0.17 1.68 -0.97 0.16 0.00 0.00 175.35 176.14 1s1i h ASN 37 N 7.26 -0.41 -5.82 1.43 -0.73 -1.76 -3.37 115.58 112.17 1s1i h ASN 37 Ca -0.31 0.03 -0.38 0.00 1.87 0.00 0.00 56.30 57.51 1s1i h ASN 37 Cb 1.18 0.13 0.14 0.00 0.27 0.00 0.00 38.32 40.05 1s1i h ASN 37 CO 0.22 -0.25 -0.71 0.18 -0.37 0.00 0.00 177.43 176.50 1s1i n LEU 38 N -5.28 -3.54 -4.35 0.34 4.77 -1.26 -4.45 117.00 103.22 1s1i n LEU 38 Ca -0.08 -0.58 -0.33 0.00 -0.03 0.00 0.00 56.01 54.99 1s1i n LEU 38 Cb 0.20 -3.04 -0.15 0.00 -2.33 0.00 0.00 43.42 38.11 1s1i n LEU 38 CO 0.32 0.57 -0.48 -1.59 -1.33 0.00 0.00 177.39 174.88 1s1i s LYS 39 N -6.06 3.08 -0.30 3.23 0.00 -1.26 -4.66 119.74 113.77 1s1i s LYS 39 Ca 0.42 -0.74 -0.13 0.00 0.00 0.00 0.00 55.97 55.51 1s1i s LYS 39 Cb -0.19 -2.48 0.17 0.00 0.00 0.00 0.00 37.83 35.34 1s1i s LYS 39 CO 0.74 0.30 0.99 -3.38 0.00 0.00 0.00 175.35 174.00 1s1i s HIS 40 N 0.09 -0.68 0.49 1.78 -3.43 -1.26 -5.14 115.29 107.14 1s1i s HIS 40 Ca -0.07 0.92 0.00 0.00 -0.80 0.00 0.00 55.06 55.11 1s1i s HIS 40 Cb -0.15 0.31 0.00 0.00 -1.43 0.00 0.00 32.58 31.31 1s1i s HIS 40 CO 0.05 -0.36 0.00 -0.89 -2.00 0.00 0.00 174.74 171.54 1s1i n ILE 41 N 5.22 -0.63 -1.53 -5.38 -0.00 -1.26 -4.17 119.36 111.61 1s1i n ILE 41 Ca -0.07 0.71 -0.41 0.00 -0.00 0.00 0.00 62.75 62.98 1s1i n ILE 41 Cb 0.53 -1.11 -0.05 0.00 -0.00 0.00 0.00 39.64 39.00 1s1i n ILE 41 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1s1i n ASP 42 N -3.95 2.21 -3.91 4.38 8.00 -1.26 -4.82 116.55 117.21 1s1i n ASP 42 Ca -0.07 -0.08 -0.10 0.00 0.71 0.00 0.00 54.79 55.25 1s1i n ASP 42 Cb 0.56 -1.43 -0.09 0.00 -0.02 0.00 0.00 41.12 40.15 1s1i n ASP 42 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1s1i s VAL 43 N 9.98 0.12 0.32 2.53 -7.23 -1.26 -4.78 120.40 120.09 1s1i s VAL 43 Ca 1.06 -1.02 0.19 0.00 -1.81 0.00 0.00 61.98 60.40 1s1i s VAL 43 Cb -0.49 -0.84 0.17 0.00 0.56 0.00 0.00 36.38 35.78 1s1i s VAL 43 CO 0.36 -0.56 1.88 0.71 -0.31 0.00 0.00 175.10 177.18 1s1i h THR 44 N 3.71 0.92 -5.72 5.32 1.35 -1.87 -3.48 112.91 113.13 1s1i h THR 44 Ca -0.32 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 1s1i h THR 44 Cb 1.19 1.63 -0.02 0.00 -1.73 0.00 0.00 68.15 69.22 1s1i h THR 44 CO 0.49 0.28 -0.94 2.22 -0.25 0.00 0.00 175.52 177.32 1s1i n PHE 45 N -3.79 -2.02 -1.45 4.73 -1.74 -1.26 -4.75 117.46 107.18 1s1i n PHE 45 Ca -0.01 0.99 -0.44 0.00 -0.56 0.00 0.00 57.45 57.42 1s1i n PHE 45 Cb 0.38 -2.45 -0.01 0.00 1.52 0.00 0.00 39.48 38.91 1s1i n PHE 45 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 1s1i n THR 46 N 1.36 1.75 -4.31 1.97 -2.24 -1.26 -4.77 114.28 106.79 1s1i n THR 46 Ca -0.06 -0.50 -0.27 0.00 -2.27 0.00 0.00 64.05 60.94 1s1i n THR 46 Cb 0.28 -0.40 -0.10 0.00 -2.10 0.00 0.00 70.33 68.01 1s1i n THR 46 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1s1i s LYS 47 N -1.31 1.94 0.12 -0.78 2.47 -1.26 -4.90 119.74 116.02 1s1i s LYS 47 Ca 0.62 -1.27 -0.30 0.00 -1.56 0.00 0.00 55.97 53.46 1s1i s LYS 47 Cb -0.74 -2.12 -0.07 0.00 -1.46 0.00 0.00 37.83 33.45 1s1i s LYS 47 CO 0.58 0.44 1.17 0.08 0.16 0.00 0.00 175.35 177.79 1s1i s VAL 48 N -1.56 3.90 -0.80 4.02 1.01 -1.26 -3.33 120.40 122.38 1s1i s VAL 48 Ca 0.23 1.48 0.02 0.00 0.00 0.00 0.00 61.98 63.71 1s1i s VAL 48 Cb -0.09 -3.95 0.32 0.00 0.00 0.00 0.00 36.38 32.66 1s1i s VAL 48 CO 0.13 0.18 1.27 0.59 0.00 0.00 0.00 175.10 177.27 1s1i n ASN 49 N 3.19 5.56 -1.67 3.32 5.03 -1.25 -4.78 115.26 124.65 1s1i n ASN 49 Ca 0.06 -3.62 -0.15 0.00 0.87 0.00 0.00 54.58 51.74 1s1i n ASN 49 Cb 0.46 -0.86 -0.05 0.00 -1.02 0.00 0.00 39.78 38.30 1s1i n ASN 49 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1s1i n ASN 50 N 0.18 -4.14 0.00 6.41 4.13 -1.26 -4.51 115.26 116.07 1s1i n ASN 50 Ca 0.35 0.32 0.00 0.00 1.68 0.00 0.00 54.58 56.93 1s1i n ASN 50 Cb 0.34 -3.72 0.00 0.00 -1.54 0.00 0.00 39.78 34.87 1s1i n ASN 50 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1s1i n GLN 51 N -2.21 0.00 -4.22 3.52 3.00 -1.26 -5.14 117.38 111.07 1s1i n GLN 51 Ca -0.16 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.59 1s1i n GLN 51 Cb 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.71 1s1i n GLN 51 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1s1i s LEU 52 N 0.00 3.40 0.13 1.08 2.96 -1.26 -4.89 118.68 120.10 1s1i s LEU 52 Ca 0.00 -0.47 -0.30 0.00 -0.22 0.00 0.00 54.13 53.14 1s1i s LEU 52 Cb 0.00 -1.95 -0.07 0.00 0.50 0.00 0.00 46.19 44.67 1s1i s LEU 52 CO 0.00 0.02 1.13 0.27 -1.32 0.00 0.00 176.35 176.44 1s1i s ILE 53 N -2.11 3.98 -0.30 6.68 -4.36 -1.20 -3.76 121.20 120.13 1s1i s ILE 53 Ca 0.31 1.58 -0.14 0.00 -0.26 0.00 0.00 60.65 62.14 1s1i s ILE 53 Cb -0.08 -4.01 0.15 0.00 1.25 0.00 0.00 42.46 39.77 1s1i s ILE 53 CO 0.21 0.21 0.90 -0.75 0.24 0.00 0.00 174.94 175.76 1s1i s LYS 54 N 0.18 0.39 0.03 0.37 2.47 -1.21 -3.59 119.74 118.39 1s1i s LYS 54 Ca 0.53 0.88 -0.06 0.00 -1.56 0.00 0.00 55.97 55.76 1s1i s LYS 54 Cb -0.29 0.42 -0.01 0.00 -1.46 0.00 0.00 37.83 36.49 1s1i s LYS 54 CO 0.33 -0.12 0.11 0.08 0.16 0.00 0.00 175.35 175.91 1s1i s VAL 55 N 2.23 0.12 0.07 4.02 1.01 -1.26 -4.73 120.40 121.87 1s1i s VAL 55 Ca -0.05 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 60.96 1s1i s VAL 55 Cb -0.07 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 1s1i s VAL 55 CO -0.17 -0.57 -0.15 0.00 0.00 0.00 0.00 175.10 174.21 1s1i s ALA 56 N -2.48 1.27 0.00 5.51 0.00 -1.26 -4.64 121.76 120.15 1s1i s ALA 56 Ca -0.06 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 50.92 1s1i s ALA 56 Cb -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1s1i s ALA 56 CO -0.04 0.20 -0.13 0.54 0.00 0.00 0.00 175.76 176.33 1s1i s VAL 57 N -1.24 3.16 -0.01 0.00 0.11 -1.26 -4.59 120.40 116.57 1s1i s VAL 57 Ca -0.01 -0.90 -0.30 0.00 -2.93 0.00 0.00 61.98 57.84 1s1i s VAL 57 Cb -0.10 -2.32 -0.07 0.00 -1.53 0.00 0.00 36.38 32.36 1s1i s VAL 57 CO 0.03 0.44 1.88 -1.00 -3.33 0.00 0.00 175.10 173.11 1s1i s HIS 58 N -0.89 1.50 0.00 1.54 3.76 -1.26 -4.85 115.29 115.10 1s1i s HIS 58 Ca 0.14 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.86 1s1i s HIS 58 Cb -0.11 -4.13 0.00 0.00 1.11 0.00 0.00 32.58 29.46 1s1i s HIS 58 CO 0.05 -4.92 0.00 -1.71 -0.85 0.00 0.00 174.74 167.31 1s1i n ASN 59 N 7.65 0.00 0.00 1.40 5.15 -1.26 -5.00 115.26 123.21 1s1i n ASN 59 Ca 0.20 -0.34 0.00 0.00 -0.60 0.00 0.00 54.58 53.83 1s1i n ASN 59 Cb 0.42 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.67 1s1i n ASN 59 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1s1i n GLY 60 N 0.00 1.14 0.00 8.20 0.00 -1.26 -5.13 105.19 108.15 1s1i n GLY 60 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1s1i n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s1i n GLY 61 N 5.00 1.03 3.70 -0.02 0.00 -1.26 -4.78 105.19 108.86 1s1i n GLY 61 Ca 0.00 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1s1i n GLY 61 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s1i s ARG 62 N 4.36 4.23 0.00 1.61 3.00 -1.26 -2.18 118.95 128.71 1s1i s ARG 62 Ca 0.00 2.25 0.00 0.00 -1.00 0.00 0.00 55.73 56.98 1s1i s ARG 62 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 34.95 31.49 1s1i s ARG 62 CO 0.00 -0.65 0.00 0.36 0.00 0.00 0.00 175.30 175.01 1s1i n LYS 63 N 5.04 0.00 -0.10 5.12 0.00 -1.26 -4.75 118.16 122.21 1s1i n LYS 63 Ca 0.15 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.32 1s1i n LYS 63 Cb 0.41 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.40 1s1i n LYS 63 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.40 178.52 1s1i h HIS 64 N 0.00 1.05 -0.92 5.58 2.07 -1.87 -2.99 115.15 118.06 1s1i h HIS 64 Ca 0.00 -0.33 0.06 0.00 -2.85 0.00 0.00 60.37 57.25 1s1i h HIS 64 Cb 0.00 -0.21 -0.06 0.00 2.57 0.00 0.00 27.41 29.71 1s1i h HIS 64 CO 0.00 1.15 0.60 0.28 -3.07 0.00 0.00 177.93 176.89 1s1i h VAL 65 N 0.65 1.08 -1.59 6.12 2.07 -1.73 -0.61 116.25 122.24 1s1i h VAL 65 Ca 0.04 -0.37 -0.62 0.00 0.82 0.00 0.00 66.70 66.58 1s1i h VAL 65 Cb 1.00 -0.08 -0.12 0.00 -1.52 0.00 0.00 31.29 30.57 1s1i h VAL 65 CO 0.10 0.19 1.26 0.00 0.02 0.00 0.00 177.57 179.14 1s1i s ALA 66 N -5.93 2.89 0.00 1.67 0.00 -1.13 -4.16 121.76 115.10 1s1i s ALA 66 Ca -0.12 -2.30 0.00 0.00 0.00 0.00 0.00 51.96 49.54 1s1i s ALA 66 Cb 0.20 -4.36 0.00 0.00 0.00 0.00 0.00 23.12 18.96 1s1i s ALA 66 CO 0.80 -3.40 0.00 0.00 0.00 0.00 0.00 175.76 173.16 1s1i n ALA 67 N 8.29 0.00 -2.00 0.00 0.00 -0.23 -4.65 120.51 121.92 1s1i n ALA 67 Ca 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.57 1s1i n ALA 67 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 1s1i n ALA 67 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1s1i n LEU 68 N 0.00 -1.22 0.03 0.00 -0.00 -1.25 -4.36 117.00 110.20 1s1i n LEU 68 Ca 0.00 0.23 0.00 0.00 -0.00 0.00 0.00 56.01 56.24 1s1i n LEU 68 Cb 0.00 -2.25 0.00 0.00 -0.00 0.00 0.00 43.42 41.17 1s1i n LEU 68 CO 0.00 -0.41 0.00 0.54 -0.00 0.00 0.00 177.39 177.52 1s1i n ARG 69 N -2.47 0.00 -0.16 1.47 1.74 -1.26 -4.67 116.66 111.30 1s1i n ARG 69 Ca -0.16 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.86 1s1i n ARG 69 Cb 0.56 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 32.11 1s1i n ARG 69 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1s1i h THR 70 N 0.00 1.25 -0.79 0.55 1.35 -1.85 -1.68 112.91 111.74 1s1i h THR 70 Ca 0.00 -1.05 -0.04 0.00 -0.55 0.00 0.00 66.41 64.76 1s1i h THR 70 Cb 0.00 0.81 -0.04 0.00 -1.73 0.00 0.00 68.15 67.19 1s1i h THR 70 CO 0.00 0.38 0.32 0.58 -0.25 0.00 0.00 175.52 176.55 1s1i h VAL 71 N 0.86 1.26 -0.75 6.82 2.07 -1.86 0.16 116.25 124.81 1s1i h VAL 71 Ca 0.16 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1s1i h VAL 71 Cb 0.48 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1s1i h VAL 71 CO 0.02 0.33 0.49 0.11 0.02 0.00 0.00 177.57 178.55 1s1i h LYS 72 N 1.15 1.00 -0.06 1.57 1.79 -1.60 -0.35 116.57 120.07 1s1i h LYS 72 Ca 0.27 -0.06 -0.17 0.00 -2.18 0.00 0.00 60.65 58.51 1s1i h LYS 72 Cb 0.21 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 1s1i h LYS 72 CO -0.02 0.67 -0.69 0.66 -1.08 0.00 0.00 179.45 178.99 1s1i h SER 73 N 1.02 0.33 -0.29 0.86 4.64 -0.80 -3.08 113.55 116.23 1s1i h SER 73 Ca 0.28 -0.21 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 1s1i h SER 73 Cb -0.11 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 1s1i h SER 73 CO -0.06 0.91 0.08 -0.07 -0.87 0.00 0.00 176.83 176.82 1s1i h LEU 74 N 0.19 0.44-10.53 5.97 -0.00 0.19 -3.31 115.31 108.26 1s1i h LEU 74 Ca -0.02 -0.23 -0.46 0.00 -0.00 0.00 0.00 57.88 57.18 1s1i h LEU 74 Cb 1.23 -0.12 0.14 0.00 -0.00 0.00 0.00 40.66 41.91 1s1i h LEU 74 CO 0.11 0.55 0.31 0.68 -0.00 0.00 0.00 178.44 180.09 1s1i s VAL 75 N -5.31 1.97 0.00 1.22 -7.23 -0.23 -2.84 120.40 107.98 1s1i s VAL 75 Ca -0.13 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.04 1s1i s VAL 75 Cb 0.08 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 34.24 1s1i s VAL 75 CO 0.74 0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.86 1s1i n ASP 76 N -3.80 -1.52 -2.80 4.85 2.03 -1.25 -4.64 116.55 109.43 1s1i n ASP 76 Ca 0.08 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.29 1s1i n ASP 76 Cb 0.59 -1.32 0.04 0.00 -0.72 0.00 0.00 41.12 39.72 1s1i n ASP 76 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1s1i n ASN 77 N -0.15 -2.49 0.00 1.67 5.15 -1.13 -4.36 115.26 113.94 1s1i n ASN 77 Ca 0.00 -3.28 0.00 0.00 -0.60 0.00 0.00 54.58 50.70 1s1i n ASN 77 Cb 0.08 1.56 0.00 0.00 -0.53 0.00 0.00 39.78 40.89 1s1i n ASN 77 CO 0.00 0.00 0.00 1.15 1.40 0.00 0.00 177.26 179.81 1s1i n MET 78 N 1.49 0.00 -0.04 1.20 0.00 -1.25 -4.76 117.12 113.77 1s1i n MET 78 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 57.70 57.66 1s1i n MET 78 Cb 0.63 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.76 1s1i n MET 78 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1s1i h ILE 79 N 0.00 1.42 -3.69 3.17 2.04 -1.86 -3.28 117.51 115.30 1s1i h ILE 79 Ca 0.00 -1.58 -0.75 0.00 1.00 0.00 0.00 64.86 63.52 1s1i h ILE 79 Cb 0.00 2.25 -0.30 0.00 -0.74 0.00 0.00 36.82 38.03 1s1i h ILE 79 CO 0.00 0.45 -0.05 0.42 0.00 0.00 0.00 178.15 178.97 1s1i s THR 80 N -3.81 4.92 0.00 -0.27 -4.23 -1.26 -3.05 115.64 107.94 1s1i s THR 80 Ca -0.15 -2.79 0.00 0.00 -1.18 0.00 0.00 61.69 57.57 1s1i s THR 80 Cb 0.03 -4.08 0.00 0.00 1.34 0.00 0.00 72.50 69.80 1s1i s THR 80 CO 0.75 -0.99 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1s1i n GLY 81 N 3.62 0.00 0.00 3.99 0.00 -1.24 -4.66 105.19 106.90 1s1i n GLY 81 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1s1i n GLY 81 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1s1i n VAL 82 N 0.00 0.00 -4.71 1.61 3.14 -1.20 -4.12 118.33 113.04 1s1i n VAL 82 Ca 0.00 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.08 1s1i n VAL 82 Cb 0.00 -0.37 -0.17 0.00 -1.06 0.00 0.00 33.84 32.25 1s1i n VAL 82 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1s1i s THR 83 N -1.52 1.79 -0.12 1.55 -1.32 -1.17 0.94 115.64 115.79 1s1i s THR 83 Ca 0.00 -0.83 -0.08 0.00 -1.21 0.00 0.00 61.69 59.57 1s1i s THR 83 Cb 0.00 -1.59 0.03 0.00 -1.51 0.00 0.00 72.50 69.43 1s1i s THR 83 CO 0.00 0.50 0.15 2.29 -2.21 0.00 0.00 174.62 175.35 1s1i n LYS 84 N 3.98 -3.35 0.00 7.08 2.85 -1.26 -4.56 118.16 122.90 1s1i n LYS 84 Ca -0.20 2.62 0.00 0.00 -1.05 0.00 0.00 58.31 59.69 1s1i n LYS 84 Cb 0.52 -3.48 0.00 0.00 -0.65 0.00 0.00 35.03 31.42 1s1i n LYS 84 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1s1i n GLY 85 N 2.00 -1.74 3.39 2.58 0.00 -1.26 -3.64 105.19 106.52 1s1i n GLY 85 Ca -0.26 -1.54 -0.33 0.00 0.00 0.00 0.00 46.02 43.89 1s1i n GLY 85 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s1i s TYR 86 N -0.75 2.78 0.03 1.61 1.51 -1.18 -4.72 117.35 116.62 1s1i s TYR 86 Ca 0.00 -0.56 0.03 0.00 -1.01 0.00 0.00 57.07 55.53 1s1i s TYR 86 Cb 0.00 -1.79 -0.02 0.00 -0.11 0.00 0.00 41.96 40.04 1s1i s TYR 86 CO 0.00 -0.14 -0.09 -1.59 -1.11 0.00 0.00 175.55 172.62 1s1i s LYS 87 N 0.13 0.60 0.05 -0.62 -2.85 -1.26 -1.85 119.74 113.94 1s1i s LYS 87 Ca -0.07 -0.60 0.09 0.00 -1.00 0.00 0.00 55.97 54.40 1s1i s LYS 87 Cb -0.15 -0.48 -0.03 0.00 -2.06 0.00 0.00 37.83 35.11 1s1i s LYS 87 CO 0.05 0.11 -0.26 0.71 0.10 0.00 0.00 175.35 176.06 1s1i s TYR 88 N -0.90 2.32 -0.03 1.78 1.51 0.19 -4.77 117.35 117.45 1s1i s TYR 88 Ca -0.04 -0.41 -0.01 0.00 -1.01 0.00 0.00 57.07 55.61 1s1i s TYR 88 Cb -0.07 -1.38 0.03 0.00 -0.11 0.00 0.00 41.96 40.42 1s1i s TYR 88 CO 0.00 0.14 0.04 0.21 -1.11 0.00 0.00 175.55 174.84 1s1i s LYS 89 N -1.29 -0.04 -0.13 -0.62 2.20 -1.25 -0.53 119.74 118.09 1s1i s LYS 89 Ca 0.12 0.24 -0.31 0.00 -0.36 0.00 0.00 55.97 55.65 1s1i s LYS 89 Cb -0.10 -0.29 0.13 0.00 -1.51 0.00 0.00 37.83 36.06 1s1i s LYS 89 CO 0.02 -0.20 1.05 -1.64 -0.36 0.00 0.00 175.35 174.23 1s1i s MET 90 N 1.27 0.54 0.76 4.03 -1.94 -0.81 -1.87 119.30 121.28 1s1i s MET 90 Ca -0.07 -0.08 -0.13 0.00 -1.71 0.00 0.00 55.69 53.70 1s1i s MET 90 Cb -0.13 0.25 0.06 0.00 2.01 0.00 0.00 34.83 37.02 1s1i s MET 90 CO -0.03 -0.21 1.16 1.03 -0.01 0.00 0.00 175.02 176.96 1s1i s ARG 91 N -2.09 2.03 0.25 2.03 0.52 -1.20 -3.02 118.95 117.48 1s1i s ARG 91 Ca 0.04 1.57 0.10 0.00 -0.52 0.00 0.00 55.73 56.93 1s1i s ARG 91 Cb -0.01 -1.84 -0.04 0.00 0.52 0.00 0.00 34.95 33.58 1s1i s ARG 91 CO -0.04 -1.88 -0.07 0.71 0.02 0.00 0.00 175.30 174.04 1s1i s TYR 92 N -2.31 2.58 0.00 -0.53 2.02 -1.26 -1.98 117.35 115.87 1s1i s TYR 92 Ca 0.70 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 57.15 1s1i s TYR 92 Cb -0.25 -1.17 0.00 0.00 -0.40 0.00 0.00 41.96 40.15 1s1i s TYR 92 CO 0.49 0.62 0.00 0.28 -1.57 0.00 0.00 175.55 175.37 1s1i n VAL 93 N -0.62 0.00 -1.82 0.71 0.31 -1.15 -4.78 118.33 110.97 1s1i n VAL 93 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1s1i n VAL 93 Cb 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 1s1i n VAL 93 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s1i n TYR 94 N -1.42 0.00 -0.34 3.52 0.18 -1.26 -4.51 117.16 113.33 1s1i n TYR 94 Ca 0.00 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.55 1s1i n TYR 94 Cb 0.00 0.00 0.22 0.00 -0.38 0.00 0.00 39.34 39.18 1s1i n TYR 94 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1s1i n ALA 95 N -3.00 -3.95 -1.46 -3.48 0.00 -1.26 -4.81 120.51 102.55 1s1i n ALA 95 Ca 0.00 -1.15 -0.40 0.00 0.00 0.00 0.00 53.44 51.89 1s1i n ALA 95 Cb 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 19.45 19.37 1s1i n ALA 95 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1s1i n HIS 96 N -5.13 -0.58 -1.76 0.00 8.25 -1.26 -4.39 115.22 110.35 1s1i n HIS 96 Ca 0.10 0.53 0.00 0.00 -0.26 0.00 0.00 57.72 58.10 1s1i n HIS 96 Cb 0.45 -1.98 0.00 0.00 1.12 0.00 0.00 29.99 29.58 1s1i n HIS 96 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1s1i n PHE 97 N -1.17 -3.50 -1.09 4.41 -1.74 -1.26 -4.78 117.46 108.31 1s1i n PHE 97 Ca 0.11 1.83 -0.29 0.00 -0.56 0.00 0.00 57.45 58.54 1s1i n PHE 97 Cb 0.43 -2.80 0.21 0.00 1.52 0.00 0.00 39.48 38.84 1s1i n PHE 97 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 1s1i s PRO 98 N -2.07 -0.56 0.06 3.97 0.04 -1.26 -4.85 135.00 130.32 1s1i s PRO 98 Ca 0.00 0.20 0.04 0.00 0.04 0.00 0.00 61.00 61.28 1s1i s PRO 98 Cb 0.00 -1.65 -0.04 0.00 0.04 0.00 0.00 34.50 32.85 1s1i s PRO 98 CO 0.00 -3.33 -0.01 -1.50 0.04 0.00 0.00 177.00 172.20 1s1i s ILE 99 N -2.97 4.02 -0.28 0.56 2.07 -1.26 -4.81 121.20 118.54 1s1i s ILE 99 Ca 0.68 -0.86 -0.08 0.00 -1.41 0.00 0.00 60.65 58.99 1s1i s ILE 99 Cb -0.14 -2.87 -0.01 0.00 0.13 0.00 0.00 42.46 39.57 1s1i s ILE 99 CO 0.57 0.22 0.09 0.20 -1.91 0.00 0.00 174.94 174.11 1s1i s ASN 100 N -2.02 5.21 -0.07 4.50 0.01 -1.26 -4.95 114.94 116.36 1s1i s ASN 100 Ca 0.23 -0.47 0.04 0.00 -0.71 0.00 0.00 52.86 51.96 1s1i s ASN 100 Cb -0.12 -1.92 -0.02 0.00 0.41 0.00 0.00 41.25 39.60 1s1i s ASN 100 CO 0.15 -0.13 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.73 1s1i s VAL 101 N 1.57 2.56 -0.05 1.60 1.01 -1.26 -1.43 120.40 124.40 1s1i s VAL 101 Ca 0.05 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 1s1i s VAL 101 Cb -0.16 -1.98 0.10 0.00 0.00 0.00 0.00 36.38 34.34 1s1i s VAL 101 CO 0.04 0.57 0.86 0.54 0.00 0.00 0.00 175.10 177.10 1s1i s ASN 102 N -0.28 -0.44 -0.07 3.32 4.22 -1.26 -4.88 114.94 115.55 1s1i s ASN 102 Ca 0.01 0.25 0.04 0.00 -2.14 0.00 0.00 52.86 51.02 1s1i s ASN 102 Cb -0.13 0.41 0.00 0.00 1.28 0.00 0.00 41.25 42.81 1s1i s ASN 102 CO 0.03 -0.56 -0.19 0.27 -2.04 0.00 0.00 177.10 174.60 1s1i s ILE 103 N -2.20 1.65 0.30 0.54 -4.36 -1.26 -1.64 121.20 114.23 1s1i s ILE 103 Ca -0.00 -0.80 0.09 0.00 -0.26 0.00 0.00 60.65 59.67 1s1i s ILE 103 Cb -0.01 -1.43 -0.04 0.00 1.25 0.00 0.00 42.46 42.23 1s1i s ILE 103 CO -0.03 0.47 0.08 0.54 0.24 0.00 0.00 174.94 176.24 1s1i s VAL 104 N 0.27 3.30 0.20 8.37 0.11 -1.24 -5.02 120.40 126.39 1s1i s VAL 104 Ca -0.12 -1.78 -0.33 0.00 -2.93 0.00 0.00 61.98 56.83 1s1i s VAL 104 Cb -0.15 -2.94 -0.13 0.00 -1.53 0.00 0.00 36.38 31.63 1s1i s VAL 104 CO 0.05 -0.28 1.62 1.21 -3.33 0.00 0.00 175.10 174.37 1s1i n GLU 105 N -1.03 2.42 0.00 1.54 0.00 -1.26 -4.43 120.64 117.88 1s1i n GLU 105 Ca -0.05 0.87 0.00 0.00 0.00 0.00 0.00 57.16 57.98 1s1i n GLU 105 Cb 0.60 -2.66 0.00 0.00 0.00 0.00 0.00 31.44 29.38 1s1i n GLU 105 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1s1i n LYS 106 N 3.38 0.00 0.10 5.31 3.00 -1.26 -4.78 118.16 123.91 1s1i n LYS 106 Ca 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.43 1s1i n LYS 106 Cb 0.32 0.00 0.18 0.00 0.00 0.00 0.00 35.03 35.52 1s1i n LYS 106 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1s1i h ASP 107 N 0.00 0.23 -1.13 3.14 2.03 -1.86 -3.20 116.42 115.63 1s1i h ASP 107 Ca 0.00 -0.11 -0.32 0.00 -0.73 0.00 0.00 57.03 55.86 1s1i h ASP 107 Cb 0.00 -0.07 0.12 0.00 -0.83 0.00 0.00 39.33 38.56 1s1i h ASP 107 CO 0.00 0.71 -0.92 0.61 -1.03 0.00 0.00 179.24 178.61 1s1i n GLY 108 N 0.05 -2.36 3.70 7.15 0.00 -1.26 -3.37 105.19 109.11 1s1i n GLY 108 Ca -0.02 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 1s1i n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s1i n ALA 109 N -1.22 1.04 -3.36 4.61 0.00 -1.26 -0.81 120.51 119.51 1s1i n ALA 109 Ca 0.01 0.07 -0.24 0.00 0.00 0.00 0.00 53.44 53.27 1s1i n ALA 109 Cb 0.30 -2.27 0.03 0.00 0.00 0.00 0.00 19.45 17.51 1s1i n ALA 109 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1s1i n LYS 110 N -1.20 -5.24 0.00 0.00 -0.00 -1.26 -4.84 118.16 105.61 1s1i n LYS 110 Ca 0.13 0.74 0.00 0.00 -0.00 0.00 0.00 58.31 59.18 1s1i n LYS 110 Cb 0.46 -5.62 0.00 0.00 -0.00 0.00 0.00 35.03 29.87 1s1i n LYS 110 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1s1i n PHE 111 N -4.51 0.00 -1.59 5.58 3.72 0.01 -5.00 117.46 115.67 1s1i n PHE 111 Ca -0.04 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.90 1s1i n PHE 111 Cb 0.57 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.09 1s1i n PHE 111 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1s1i n ILE 112 N -0.10 1.44 0.00 4.37 2.08 -1.21 -3.68 119.36 122.26 1s1i n ILE 112 Ca 0.00 -0.36 0.00 0.00 0.56 0.00 0.00 62.75 62.95 1s1i n ILE 112 Cb 0.00 -0.96 0.00 0.00 -0.75 0.00 0.00 39.64 37.93 1s1i n ILE 112 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 1s1i n GLU 113 N 1.28 3.24 -1.79 0.38 0.00 -0.65 -3.91 120.64 119.19 1s1i n GLU 113 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.28 1s1i n GLU 113 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.73 1s1i n GLU 113 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1s1i n VAL 114 N 0.00 -5.71 0.00 3.84 0.24 -0.52 -3.75 118.33 112.43 1s1i n VAL 114 Ca 0.00 2.62 0.00 0.00 -2.04 0.00 0.00 64.34 64.92 1s1i n VAL 114 Cb 0.00 -3.51 0.00 0.00 -1.47 0.00 0.00 33.84 28.86 1s1i n VAL 114 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1s1i n ARG 115 N -0.22 0.00 -1.53 7.34 0.63 -0.78 -3.24 116.66 118.86 1s1i n ARG 115 Ca 0.00 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.54 1s1i n ARG 115 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 1s1i n ARG 115 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1s1i n ASN 116 N 0.00 1.47 0.00 6.15 5.03 -1.24 -4.58 115.26 122.09 1s1i n ASN 116 Ca 0.00 -0.20 0.00 0.00 0.87 0.00 0.00 54.58 55.25 1s1i n ASN 116 Cb 0.00 -1.30 0.00 0.00 -1.02 0.00 0.00 39.78 37.46 1s1i n ASN 116 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1s1i n PHE 117 N 13.52 0.00 0.18 3.10 3.72 -1.26 -3.84 117.46 132.89 1s1i n PHE 117 Ca 0.49 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.82 1s1i n PHE 117 Cb 0.32 -0.34 -0.04 0.00 -0.94 0.00 0.00 39.48 38.49 1s1i n PHE 117 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1s1i h LEU 118 N 0.00 -0.42 -5.00 4.37 -0.00 -1.93 -3.45 115.31 108.89 1s1i h LEU 118 Ca 0.00 0.01 -0.10 0.00 -0.00 0.00 0.00 57.88 57.80 1s1i h LEU 118 Cb 0.00 0.11 -0.10 0.00 -0.00 0.00 0.00 40.66 40.67 1s1i h LEU 118 CO 0.00 -0.20 0.12 0.61 -0.00 0.00 0.00 178.44 178.96 1s1i n GLY 119 N -0.26 -1.10 3.99 0.83 0.00 -1.25 -4.77 105.19 102.63 1s1i n GLY 119 Ca -0.06 0.45 -0.20 0.00 0.00 0.00 0.00 46.02 46.22 1s1i n GLY 119 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s1i s ASP 120 N -0.21 5.57 0.30 1.61 1.01 -1.26 -4.89 116.67 118.79 1s1i s ASP 120 Ca 0.13 -0.14 -0.05 0.00 0.71 0.00 0.00 52.55 53.19 1s1i s ASP 120 Cb 0.19 -0.92 -0.05 0.00 1.01 0.00 0.00 42.92 43.15 1s1i s ASP 120 CO -0.12 -0.86 0.57 -0.54 0.21 0.00 0.00 175.17 174.43 1s1i s LYS 121 N -4.51 3.64 0.00 8.23 1.02 -1.26 -3.64 119.74 123.22 1s1i s LYS 121 Ca 0.54 0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.56 1s1i s LYS 121 Cb -0.10 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.58 1s1i s LYS 121 CO 0.35 0.20 0.00 1.17 -0.92 0.00 0.00 175.35 176.15 1s1i n LYS 122 N -0.96 0.00 -3.56 1.68 4.81 -1.26 -5.00 118.16 113.87 1s1i n LYS 122 Ca -0.01 0.05 -0.37 0.00 -0.87 0.00 0.00 58.31 57.10 1s1i n LYS 122 Cb 0.54 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.53 1s1i n LYS 122 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1s1i s ILE 123 N -0.79 5.10 -0.32 3.15 1.09 -1.26 -4.74 121.20 123.44 1s1i s ILE 123 Ca 0.00 0.70 -0.00 0.00 -1.10 0.00 0.00 60.65 60.25 1s1i s ILE 123 Cb 0.00 -3.66 0.10 0.00 -1.06 0.00 0.00 42.46 37.84 1s1i s ILE 123 CO 0.00 0.55 0.09 -0.60 -0.10 0.00 0.00 174.94 174.88 1s1i s ARG 124 N -1.19 0.82 -0.25 2.79 3.00 -1.20 -4.81 118.95 118.12 1s1i s ARG 124 Ca 0.24 -1.20 -0.26 0.00 -1.00 0.00 0.00 55.73 53.51 1s1i s ARG 124 Cb -0.16 -2.16 0.10 0.00 0.00 0.00 0.00 34.95 32.73 1s1i s ARG 124 CO 0.13 -0.98 0.89 1.21 0.00 0.00 0.00 175.30 176.54 1s1i s ASN 125 N 1.51 -0.57 0.01 -2.12 3.04 -1.25 -4.74 114.94 110.82 1s1i s ASN 125 Ca 0.10 1.03 -0.28 0.00 0.04 0.00 0.00 52.86 53.75 1s1i s ASN 125 Cb -0.18 1.02 0.10 0.00 -1.54 0.00 0.00 41.25 40.66 1s1i s ASN 125 CO -0.23 -0.24 1.25 0.68 -3.04 0.00 0.00 177.10 175.52 1s1i s VAL 126 N 0.06 0.00 0.23 -5.21 -7.23 -1.26 -3.93 120.40 103.07 1s1i s VAL 126 Ca 0.00 -0.26 0.02 0.00 -1.81 0.00 0.00 61.98 59.94 1s1i s VAL 126 Cb -0.04 -2.48 0.02 0.00 0.56 0.00 0.00 36.38 34.44 1s1i s VAL 126 CO -0.02 0.00 0.18 -2.65 -0.31 0.00 0.00 175.10 172.30 1s1i n PRO 127 N -0.68 1.14 -4.41 4.82 -0.02 -1.26 -4.75 135.00 129.84 1s1i n PRO 127 Ca -0.03 -1.47 -0.28 0.00 -2.02 0.00 0.00 63.50 59.70 1s1i n PRO 127 Cb 0.61 0.15 -0.13 0.00 -0.02 0.00 0.00 33.50 34.11 1s1i n PRO 127 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s1i s VAL 128 N -1.15 2.17 0.92 -1.45 1.01 -1.26 -4.89 120.40 115.75 1s1i s VAL 128 Ca 0.13 -1.70 -0.13 0.00 0.00 0.00 0.00 61.98 60.28 1s1i s VAL 128 Cb -0.01 -1.92 0.18 0.00 0.00 0.00 0.00 36.38 34.63 1s1i s VAL 128 CO 0.09 0.09 1.26 -0.13 0.00 0.00 0.00 175.10 176.41 1s1i s ARG 129 N -1.98 0.88 0.08 2.72 1.81 -1.26 -4.76 118.95 116.44 1s1i s ARG 129 Ca 0.13 -0.48 -0.31 0.00 -1.72 0.00 0.00 55.73 53.34 1s1i s ARG 129 Cb -0.10 -1.93 -0.17 0.00 -0.45 0.00 0.00 34.95 32.31 1s1i s ARG 129 CO 0.05 -2.22 1.64 0.38 -0.68 0.00 0.00 175.30 174.47 1s1i h ASP 130 N -1.44 -0.73 -2.74 0.23 2.03 -1.97 -3.35 116.42 108.45 1s1i h ASP 130 Ca -0.43 0.04 -0.60 0.00 -0.73 0.00 0.00 57.03 55.31 1s1i h ASP 130 Cb 1.24 0.21 -0.40 0.00 -0.83 0.00 0.00 39.33 39.56 1s1i h ASP 130 CO 0.40 -0.47 -0.82 -0.83 -1.03 0.00 0.00 179.24 176.49 1s1i s GLY 131 N -2.14 1.75 0.06 7.15 0.00 -1.26 -5.06 107.32 107.82 1s1i s GLY 131 Ca -0.17 -2.85 0.03 0.00 0.00 0.00 0.00 44.72 41.73 1s1i s GLY 131 CO 0.63 1.74 -0.09 0.54 0.00 0.00 0.00 173.10 175.91 1s1i s VAL 132 N -0.29 0.73 -0.04 1.40 0.11 -1.26 -4.02 120.40 117.03 1s1i s VAL 132 Ca 0.28 -1.24 0.06 0.00 -2.93 0.00 0.00 61.98 58.14 1s1i s VAL 132 Cb -0.04 -0.86 -0.02 0.00 -1.53 0.00 0.00 36.38 33.93 1s1i s VAL 132 CO -0.15 -0.39 -0.20 0.28 -3.33 0.00 0.00 175.10 171.31 1s1i s THR 133 N -1.60 2.57 -0.32 5.04 -1.32 0.23 -4.94 115.64 115.30 1s1i s THR 133 Ca -0.05 -0.91 -0.05 0.00 -1.21 0.00 0.00 61.69 59.47 1s1i s THR 133 Cb -0.08 -1.96 0.04 0.00 -1.51 0.00 0.00 72.50 68.99 1s1i s THR 133 CO 0.01 0.58 0.07 -0.63 -2.21 0.00 0.00 174.62 172.43 1s1i s ILE 134 N -0.62 3.49 0.90 5.08 -1.09 -1.26 -1.91 121.20 125.79 1s1i s ILE 134 Ca 0.09 -1.22 -0.11 0.00 -2.23 0.00 0.00 60.65 57.19 1s1i s ILE 134 Cb -0.11 -2.99 0.19 0.00 -1.58 0.00 0.00 42.46 37.98 1s1i s ILE 134 CO 0.00 -0.15 1.23 -1.61 -1.23 0.00 0.00 174.94 173.18 1s1i s GLU 135 N 1.35 0.82 0.17 2.79 8.01 0.04 -4.93 118.70 126.94 1s1i s GLU 135 Ca -0.03 -0.78 0.02 0.00 0.01 0.00 0.00 54.97 54.19 1s1i s GLU 135 Cb -0.20 -2.01 -0.01 0.00 -4.31 0.00 0.00 34.13 27.60 1s1i s GLU 135 CO 0.01 -2.19 0.07 1.97 0.01 0.00 0.00 175.26 175.13 1s1i n PHE 136 N -3.49 0.02 -2.14 1.61 -1.74 -1.26 -4.10 117.46 106.36 1s1i n PHE 136 Ca 0.17 -1.11 -0.36 0.00 -0.56 0.00 0.00 57.45 55.59 1s1i n PHE 136 Cb 0.60 0.01 0.01 0.00 1.52 0.00 0.00 39.48 41.62 1s1i n PHE 136 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1s1i s SER 137 N -2.05 5.57 0.12 5.98 1.04 -1.04 -4.69 113.70 118.64 1s1i s SER 137 Ca 0.10 2.32 -0.13 0.00 0.48 0.00 0.00 55.95 58.71 1s1i s SER 137 Cb 0.00 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 1s1i s SER 137 CO 0.07 -1.33 1.48 0.00 0.98 0.00 0.00 173.24 174.44 1s1i h THR 138 N 1.21 1.28 -0.63 2.02 1.03 -1.89 -3.46 112.91 112.47 1s1i h THR 138 Ca -0.50 -1.39 0.00 0.00 -0.01 0.00 0.00 66.41 64.51 1s1i h THR 138 Cb 1.28 1.37 0.00 0.00 -1.07 0.00 0.00 68.15 69.73 1s1i h THR 138 CO 0.57 0.46 0.00 0.59 -0.01 0.00 0.00 175.52 177.13 1s1i n ASN 139 N -4.22 0.00 0.21 0.00 4.13 -1.26 -4.99 115.26 109.13 1s1i n ASN 139 Ca -0.02 0.00 -0.15 0.00 1.68 0.00 0.00 54.58 56.09 1s1i n ASN 139 Cb 0.45 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.62 1s1i n ASN 139 CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 1s1i h VAL 140 N 0.00 0.41 -1.10 2.41 -1.51 -2.03 -3.43 116.25 110.99 1s1i h VAL 140 Ca 0.00 0.00 0.14 0.00 -1.23 0.00 0.00 66.70 65.61 1s1i h VAL 140 Cb 0.00 0.41 -0.22 0.00 -2.13 0.00 0.00 31.29 29.35 1s1i h VAL 140 CO 0.00 0.00 -0.01 -0.54 -1.23 0.00 0.00 177.57 175.79 1s1i s LYS 141 N -6.05 0.41 0.00 5.19 -0.14 -1.26 -4.77 119.74 113.12 1s1i s LYS 141 Ca -0.16 0.90 0.00 0.00 -1.36 0.00 0.00 55.97 55.35 1s1i s LYS 141 Cb 0.06 0.53 0.00 0.00 -1.68 0.00 0.00 37.83 36.73 1s1i s LYS 141 CO 0.64 -0.28 0.46 -0.40 -0.76 0.00 0.00 175.35 175.01 1s1i n ASP 142 N 5.31 -0.45 -3.63 2.83 5.75 -1.26 -4.91 116.55 120.18 1s1i n ASP 142 Ca -0.07 -0.93 -0.04 0.00 -0.01 0.00 0.00 54.79 53.74 1s1i n ASP 142 Cb 0.52 0.14 -0.05 0.00 -1.03 0.00 0.00 41.12 40.69 1s1i n ASP 142 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1s1i s GLU 143 N 0.00 0.20 0.03 0.11 2.12 -1.26 -4.65 118.70 115.25 1s1i s GLU 143 Ca 0.00 0.11 0.03 0.00 0.36 0.00 0.00 54.97 55.47 1s1i s GLU 143 Cb 0.00 0.10 -0.02 0.00 0.26 0.00 0.00 34.13 34.47 1s1i s GLU 143 CO 0.00 -0.05 -0.09 -1.50 -0.54 0.00 0.00 175.26 173.08 1s1i s ILE 144 N -0.63 0.64 -0.07 -3.70 1.10 -1.17 -2.50 121.20 114.88 1s1i s ILE 144 Ca 0.06 -0.89 0.03 0.00 -0.51 0.00 0.00 60.65 59.34 1s1i s ILE 144 Cb -0.02 -0.64 0.01 0.00 0.15 0.00 0.00 42.46 41.95 1s1i s ILE 144 CO -0.08 -0.20 -0.16 -0.69 -2.11 0.00 0.00 174.94 171.70 1s1i s VAL 145 N -1.01 1.39 -0.09 4.00 1.01 -1.26 -1.93 120.40 122.52 1s1i s VAL 145 Ca -0.05 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1s1i s VAL 145 Cb -0.08 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.07 1s1i s VAL 145 CO 0.01 0.41 -0.19 -0.76 0.00 0.00 0.00 175.10 174.57 1s1i s LEU 146 N 0.48 1.90 0.11 3.92 2.01 0.31 -0.78 118.68 126.64 1s1i s LEU 146 Ca -0.14 -0.46 -0.11 0.00 0.01 0.00 0.00 54.13 53.43 1s1i s LEU 146 Cb -0.16 -1.18 0.01 0.00 0.01 0.00 0.00 46.19 44.87 1s1i s LEU 146 CO 0.05 0.10 0.28 -0.94 1.01 0.00 0.00 176.35 176.85 1s1i s SER 147 N 0.54 -0.02 0.00 2.29 1.04 -0.80 0.54 113.70 117.29 1s1i s SER 147 Ca -0.16 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1s1i s SER 147 Cb -0.17 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1s1i s SER 147 CO 0.06 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.08 1s1i n GLY 148 N -0.15 0.86 0.06 7.32 0.00 -0.77 0.78 105.19 113.29 1s1i n GLY 148 Ca -0.14 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 1s1i n GLY 148 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1s1i h ASN 149 N 0.00 -0.02 -3.66 1.61 2.35 -1.72 -3.12 115.58 111.03 1s1i h ASN 149 Ca 0.00 -0.28 -0.50 0.00 -0.55 0.00 0.00 56.30 54.97 1s1i h ASN 149 Cb 0.00 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 1s1i h ASN 149 CO 0.00 0.27 0.24 -0.94 -1.65 0.00 0.00 177.43 175.34 1s1i s SER 150 N -5.46 7.37 -0.69 5.81 1.04 -1.26 -4.28 113.70 116.23 1s1i s SER 150 Ca -0.15 1.71 -0.08 0.00 0.48 0.00 0.00 55.95 57.91 1s1i s SER 150 Cb 0.03 -2.53 0.18 0.00 0.10 0.00 0.00 66.02 63.81 1s1i s SER 150 CO 0.66 0.11 0.57 -0.69 0.98 0.00 0.00 173.24 174.86 1s1i s VAL 151 N -1.33 4.59 0.00 5.02 1.01 -1.26 -3.06 120.40 125.37 1s1i s VAL 151 Ca 0.41 -2.59 0.00 0.00 0.00 0.00 0.00 61.98 59.80 1s1i s VAL 151 Cb -0.22 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1s1i s VAL 151 CO 0.26 -0.93 0.00 -1.84 0.00 0.00 0.00 175.10 172.59 1s1i n GLU 152 N 3.89 0.00 0.00 2.72 0.28 -1.26 -4.81 120.64 121.46 1s1i n GLU 152 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 1s1i n GLU 152 Cb 0.42 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.29 1s1i n GLU 152 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1s1i n ASP 153 N 0.00 0.37 0.17 -1.84 5.75 -1.25 -4.70 116.55 115.05 1s1i n ASP 153 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 54.80 1s1i n ASP 153 Cb 0.00 0.00 0.30 0.00 -1.03 0.00 0.00 41.12 40.39 1s1i n ASP 153 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 1s1i h VAL 154 N 0.00 1.22 0.46 2.12 -1.51 -1.87 -2.93 116.25 113.73 1s1i h VAL 154 Ca 0.00 -1.59 -0.02 0.00 -1.23 0.00 0.00 66.70 63.85 1s1i h VAL 154 Cb 0.10 1.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 1s1i h VAL 154 CO 0.00 0.44 -0.22 0.77 -1.23 0.00 0.00 177.57 177.33 1s1i h SER 155 N 0.00 -0.52 -1.18 4.19 4.64 -1.85 -3.14 113.55 115.69 1s1i h SER 155 Ca -0.00 0.02 -0.62 0.00 -0.47 0.00 0.00 61.79 60.72 1s1i h SER 155 Cb 0.85 0.13 -0.16 0.00 -0.31 0.00 0.00 62.40 62.91 1s1i h SER 155 CO 0.06 -0.25 1.24 0.00 -0.87 0.00 0.00 176.83 177.01 1s1i n GLN 156 N -4.31 3.41 0.01 4.77 -0.00 -1.22 -2.67 117.38 117.38 1s1i n GLN 156 Ca -0.08 -2.92 0.00 0.00 -0.00 0.00 0.00 57.00 54.00 1s1i n GLN 156 Cb 0.24 -2.35 0.00 0.00 -0.00 0.00 0.00 30.24 28.13 1s1i n GLN 156 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1s1i n ASN 157 N 1.13 0.09 -4.40 2.61 2.85 -1.11 -4.70 115.26 111.73 1s1i n ASN 157 Ca 0.54 0.03 -0.45 0.00 -0.11 0.00 0.00 54.58 54.60 1s1i n ASN 157 Cb 0.41 -0.01 -0.03 0.00 1.24 0.00 0.00 39.78 41.38 1s1i n ASN 157 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1s1i s ALA 158 N -2.00 3.52 0.00 5.20 0.00 -1.09 -3.54 121.76 123.85 1s1i s ALA 158 Ca 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 51.96 49.29 1s1i s ALA 158 Cb 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1s1i s ALA 158 CO 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 175.76 173.12 1s1i n ALA 159 N 6.01 0.00 -1.96 0.00 0.00 -1.25 -4.77 120.51 118.54 1s1i n ALA 159 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.35 1s1i n ALA 159 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.87 1s1i n ALA 159 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1s1i n ASP 160 N 0.00 -5.45 0.00 0.00 2.03 -1.26 -4.45 116.55 107.42 1s1i n ASP 160 Ca 0.00 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1s1i n ASP 160 Cb 0.00 -4.57 0.00 0.00 -0.72 0.00 0.00 41.12 35.83 1s1i n ASP 160 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1s1i n LEU 161 N -2.49 0.00 -0.11 -2.67 4.77 -1.23 -4.27 117.00 110.99 1s1i n LEU 161 Ca -0.21 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.55 1s1i n LEU 161 Cb 0.66 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.66 1s1i n LEU 161 CO 0.28 0.00 -1.27 0.00 -1.33 0.00 0.00 177.39 175.07 1s1i n GLN 162 N 0.00 0.51 0.24 3.23 6.02 -1.25 -4.14 117.38 121.98 1s1i n GLN 162 Ca 0.00 0.19 0.10 0.00 -0.01 0.00 0.00 57.00 57.28 1s1i n GLN 162 Cb 0.00 -1.36 0.62 0.00 1.02 0.00 0.00 30.24 30.52 1s1i n GLN 162 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 1s1i h GLN 163 N -0.54 0.00 -1.47 -1.09 -0.00 -1.88 -1.32 115.11 108.81 1s1i h GLN 163 Ca -0.56 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.04 1s1i h GLN 163 Cb 1.60 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 29.05 1s1i h GLN 163 CO -0.26 0.18 0.07 0.44 -0.00 0.00 0.00 178.83 179.25 1s1i n ILE 164 N -3.72 1.67 0.00 1.86 -6.64 -1.26 -2.20 119.36 109.07 1s1i n ILE 164 Ca -0.02 -0.44 0.00 0.00 -1.77 0.00 0.00 62.75 60.52 1s1i n ILE 164 Cb 0.29 -1.22 0.00 0.00 -1.44 0.00 0.00 39.64 37.27 1s1i n ILE 164 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1s1i n ARG 166 N -0.73 1.33 -3.84 0.00 0.63 -0.93 -4.79 116.66 108.33 1s1i n ARG 166 Ca 0.00 0.47 -0.13 0.00 -0.92 0.00 0.00 57.85 57.27 1s1i n ARG 166 Cb 0.09 -1.85 -0.15 0.00 0.45 0.00 0.00 32.46 31.00 1s1i n ARG 166 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1s1i s VAL 167 N -0.95 -0.01 -0.46 5.15 -7.23 -1.26 -5.02 120.40 110.62 1s1i s VAL 167 Ca 0.60 0.07 -0.11 0.00 -1.81 0.00 0.00 61.98 60.73 1s1i s VAL 167 Cb -0.72 -0.04 0.10 0.00 0.56 0.00 0.00 36.38 36.28 1s1i s VAL 167 CO 0.59 0.03 0.34 0.00 -0.31 0.00 0.00 175.10 175.75 1s1i s ARG 168 N 0.35 2.70 0.00 4.82 3.03 -1.26 -4.81 118.95 123.78 1s1i s ARG 168 Ca -0.03 -1.56 0.00 0.00 2.03 0.00 0.00 55.73 56.17 1s1i s ARG 168 Cb -0.04 -3.96 0.00 0.00 -1.03 0.00 0.00 34.95 29.92 1s1i s ARG 168 CO -0.01 -1.09 0.00 0.09 -1.13 0.00 0.00 175.30 173.16 1s1i n ASN 169 N 5.02 0.00 0.12 -2.89 3.02 -1.26 -5.04 115.26 114.23 1s1i n ASN 169 Ca -0.10 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.39 1s1i n ASN 169 Cb 0.42 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.56 1s1i n ASN 169 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1s1i h LYS 170 N 0.00 -0.35 0.00 3.52 -0.00 -2.03 -3.48 116.57 114.24 1s1i h LYS 170 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.67 1s1i h LYS 170 Cb 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 32.23 32.31 1s1i h LYS 170 CO 0.00 -0.23 0.00 -0.40 -0.00 0.00 0.00 179.45 178.82 1s1i n ASP 171 N -3.20 0.00 -4.62 7.07 5.75 -1.26 -5.05 116.55 115.25 1s1i n ASP 171 Ca -0.04 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.33 1s1i n ASP 171 Cb 0.15 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.18 1s1i n ASP 171 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 1s1i s ILE 172 N -1.49 4.95 0.00 2.12 1.10 -1.26 -3.39 121.20 123.23 1s1i s ILE 172 Ca 0.00 1.07 0.00 0.00 -0.51 0.00 0.00 60.65 61.21 1s1i s ILE 172 Cb 0.00 -3.97 0.00 0.00 0.15 0.00 0.00 42.46 38.64 1s1i s ILE 172 CO 0.00 -0.04 0.00 -1.14 -2.11 0.00 0.00 174.94 171.65 1s1i n ARG 173 N 5.80 0.00 0.06 3.50 0.63 -1.26 -4.92 116.66 120.47 1s1i n ARG 173 Ca -0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 1s1i n ARG 173 Cb 0.49 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 33.31 1s1i n ARG 173 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1s1i h LYS 174 N 0.00 -0.16 -6.02 -0.14 1.79 -1.96 -3.43 116.57 106.65 1s1i h LYS 174 Ca 0.00 0.01 -0.68 0.00 -2.18 0.00 0.00 60.65 57.80 1s1i h LYS 174 Cb 0.00 0.04 -0.18 0.00 -1.58 0.00 0.00 32.23 30.51 1s1i h LYS 174 CO 0.00 0.21 -0.67 -0.59 -1.08 0.00 0.00 179.45 177.32 1s1i s PHE 175 N -4.58 3.02 -0.40 -1.35 -0.71 -1.24 -5.02 117.98 107.70 1s1i s PHE 175 Ca -0.15 0.06 0.06 0.00 -1.04 0.00 0.00 56.93 55.86 1s1i s PHE 175 Cb 0.02 -1.76 0.21 0.00 -1.21 0.00 0.00 43.02 40.29 1s1i s PHE 175 CO 0.61 0.35 0.43 1.47 -1.34 0.00 0.00 175.22 176.74 1s1i n LEU 176 N 2.29 -0.15 0.00 -1.99 -0.00 -1.26 -4.62 117.00 111.27 1s1i n LEU 176 Ca -0.18 -4.53 0.00 0.00 -0.00 0.00 0.00 56.01 51.30 1s1i n LEU 176 Cb 0.53 0.59 0.00 0.00 -0.00 0.00 0.00 43.42 44.54 1s1i n LEU 176 CO 0.28 1.96 0.00 0.47 -0.00 0.00 0.00 177.39 180.10 1s1i n ASP 177 N 2.13 0.00 -0.09 1.45 8.00 -1.26 -4.41 116.55 122.36 1s1i n ASP 177 Ca 0.26 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.77 1s1i n ASP 177 Cb 0.50 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.60 1s1i n ASP 177 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s1i n GLY 178 N 5.00 -1.76 3.07 0.44 0.00 -1.26 -4.76 105.19 105.91 1s1i n GLY 178 Ca 0.00 -1.49 -0.24 0.00 0.00 0.00 0.00 46.02 44.29 1s1i n GLY 178 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1s1i s ILE 179 N -1.74 1.17 0.02 -0.61 -4.36 -1.26 -2.95 121.20 111.46 1s1i s ILE 179 Ca 0.00 -0.55 0.06 0.00 -0.26 0.00 0.00 60.65 59.89 1s1i s ILE 179 Cb 0.00 -1.02 -0.02 0.00 1.25 0.00 0.00 42.46 42.67 1s1i s ILE 179 CO 0.00 0.35 -0.17 -0.31 0.24 0.00 0.00 174.94 175.05 1s1i s TYR 180 N 0.24 1.47 -0.70 1.37 2.02 -0.84 -3.95 117.35 116.97 1s1i s TYR 180 Ca -0.06 -0.32 -0.16 0.00 -0.37 0.00 0.00 57.07 56.15 1s1i s TYR 180 Cb -0.12 -0.90 0.16 0.00 -0.40 0.00 0.00 41.96 40.70 1s1i s TYR 180 CO 0.02 0.03 0.69 0.54 -1.57 0.00 0.00 175.55 175.26 1s1i s VAL 181 N -0.64 5.28 0.20 0.71 0.11 -1.26 -3.24 120.40 121.56 1s1i s VAL 181 Ca 0.05 -1.83 0.08 0.00 -2.93 0.00 0.00 61.98 57.35 1s1i s VAL 181 Cb -0.07 -4.45 -0.11 0.00 -1.53 0.00 0.00 36.38 30.22 1s1i s VAL 181 CO 0.01 -1.02 1.46 0.28 -3.33 0.00 0.00 175.10 172.49 1s1i h SER 182 N 8.47 0.03 -4.13 3.54 0.02 -1.91 -3.45 113.55 116.13 1s1i h SER 182 Ca -0.10 -0.03 -0.47 0.00 -0.84 0.00 0.00 61.79 60.35 1s1i h SER 182 Cb 1.07 -0.01 0.03 0.00 0.14 0.00 0.00 62.40 63.63 1s1i h SER 182 CO 0.94 0.81 0.38 -2.28 -1.14 0.00 0.00 176.83 175.53 1s1i s HIS 183 N -3.24 3.11 0.00 3.45 2.46 -0.78 -5.00 115.29 115.29 1s1i s HIS 183 Ca -0.01 1.54 0.00 0.00 0.47 0.00 0.00 55.06 57.07 1s1i s HIS 183 Cb 0.11 -2.98 0.00 0.00 -0.13 0.00 0.00 32.58 29.59 1s1i s HIS 183 CO 0.79 -0.74 0.45 0.36 -2.47 0.00 0.00 174.74 173.13