#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 221p s THR 2 N 0.00 2.46 -0.01 3.17 2.01 -1.26 -4.83 115.64 117.17 221p s THR 2 Ca 0.00 0.39 0.08 0.00 0.31 0.00 0.00 61.69 62.47 221p s THR 2 Cb 0.00 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 221p s THR 2 CO 0.00 0.07 -0.25 -1.61 -0.69 0.00 0.00 174.62 172.14 221p s GLU 3 N -0.59 2.12 -0.27 4.92 2.02 -1.26 -1.12 118.70 124.51 221p s GLU 3 Ca 0.59 -0.93 0.02 0.00 0.02 0.00 0.00 54.97 54.68 221p s GLU 3 Cb -0.44 -2.07 0.07 0.00 0.10 0.00 0.00 34.13 31.79 221p s GLU 3 CO 0.46 0.56 -0.02 0.71 0.02 0.00 0.00 175.26 176.99 221p s TYR 4 N -0.65 2.83 -0.84 1.61 2.02 -0.50 -4.96 117.35 116.87 221p s TYR 4 Ca 0.10 -2.18 -0.23 0.00 -0.37 0.00 0.00 57.07 54.39 221p s TYR 4 Cb -0.10 -2.00 0.06 0.00 -0.40 0.00 0.00 41.96 39.52 221p s TYR 4 CO -0.00 -0.85 1.23 0.21 -1.57 0.00 0.00 175.55 174.57 221p s LYS 5 N 1.24 3.36 -0.02 -0.62 2.36 -1.26 -2.13 119.74 122.67 221p s LYS 5 Ca -0.00 -0.90 -0.01 0.00 -2.55 0.00 0.00 55.97 52.50 221p s LYS 5 Cb -0.19 -4.67 -0.04 0.00 -1.05 0.00 0.00 37.83 31.88 221p s LYS 5 CO -0.09 -2.03 0.07 -0.51 1.55 0.00 0.00 175.35 174.35 221p s LEU 6 N 4.61 3.88 0.00 5.43 2.01 -0.17 -0.31 118.68 134.13 221p s LEU 6 Ca 0.35 0.16 0.02 0.00 0.01 0.00 0.00 54.13 54.67 221p s LEU 6 Cb -0.07 -2.20 -0.01 0.00 0.01 0.00 0.00 46.19 43.93 221p s LEU 6 CO 0.02 0.29 -0.06 0.54 1.01 0.00 0.00 176.35 178.16 221p s VAL 7 N -1.14 0.45 -0.30 -1.59 0.11 -1.05 -0.66 120.40 116.22 221p s VAL 7 Ca 0.21 -0.35 -0.10 0.00 -2.93 0.00 0.00 61.98 58.81 221p s VAL 7 Cb -0.12 -0.41 -0.01 0.00 -1.53 0.00 0.00 36.38 34.31 221p s VAL 7 CO 0.12 0.06 0.15 -0.69 -3.33 0.00 0.00 175.10 171.40 221p s VAL 8 N -0.30 4.65 0.14 2.04 1.01 -0.61 -1.58 120.40 125.75 221p s VAL 8 Ca 0.01 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 61.73 221p s VAL 8 Cb -0.03 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 221p s VAL 8 CO -0.00 0.11 -0.19 -0.69 0.00 0.00 0.00 175.10 174.33 221p s VAL 9 N 1.63 1.75 0.00 2.92 1.01 -0.52 -3.40 120.40 123.79 221p s VAL 9 Ca 0.05 -1.76 0.00 0.00 0.00 0.00 0.00 61.98 60.27 221p s VAL 9 Cb -0.17 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.50 221p s VAL 9 CO 0.06 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.56 221p n GLY 10 N 0.62 1.04 3.74 4.51 0.00 -1.26 -0.80 105.19 113.05 221p n GLY 10 Ca -0.16 -1.76 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 221p n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 221p s ALA 11 N -1.38 2.22 0.17 4.61 0.00 -1.25 -4.32 121.76 121.82 221p s ALA 11 Ca 0.00 0.69 -0.32 0.00 0.00 0.00 0.00 51.96 52.33 221p s ALA 11 Cb 0.00 -3.39 -0.12 0.00 0.00 0.00 0.00 23.12 19.61 221p s ALA 11 CO 0.00 -1.69 1.77 0.41 0.00 0.00 0.00 175.76 176.25 221p n GLY 12 N -0.09 1.58 1.27 0.00 0.00 -1.26 -2.98 105.19 103.72 221p n GLY 12 Ca 0.12 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.80 221p n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 221p n GLY 13 N 4.06 0.86 0.00 -0.02 0.00 -1.26 -4.96 105.19 103.87 221p n GLY 13 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 221p n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 221p n VAL 14 N -2.00 0.49 0.00 1.61 0.24 -1.16 -4.85 118.33 112.66 221p n VAL 14 Ca 0.00 0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 221p n VAL 14 Cb 0.00 -0.78 0.00 0.00 -1.47 0.00 0.00 33.84 31.59 221p n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 221p n GLY 15 N 0.50 1.77 0.15 7.63 0.00 -1.26 -4.58 105.19 109.40 221p n GLY 15 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 221p n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 221p h LYS 16 N 0.00 0.43 -0.09 1.61 1.57 -1.91 -2.67 116.57 115.51 221p h LYS 16 Ca 0.00 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 221p h LYS 16 Cb 0.00 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 221p h LYS 16 CO 0.00 0.58 -0.04 0.77 -0.57 0.00 0.00 179.45 180.19 221p h SER 17 N 0.23 0.20 -0.17 0.86 0.02 -1.96 -2.27 113.55 110.45 221p h SER 17 Ca 0.07 -0.40 0.05 0.00 -0.84 0.00 0.00 61.79 60.67 221p h SER 17 Cb 0.37 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 221p h SER 17 CO 0.01 0.55 0.15 0.00 -1.14 0.00 0.00 176.83 176.40 221p h ALA 18 N 0.65 1.96 0.12 3.77 0.00 -1.88 0.14 119.26 124.03 221p h ALA 18 Ca 0.02 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 221p h ALA 18 Cb 0.47 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.30 221p h ALA 18 CO 0.01 -0.23 -0.72 1.25 0.00 0.00 0.00 179.25 179.56 221p h LEU 19 N 0.00 0.42 -0.83 0.00 5.85 -1.43 -2.27 115.31 117.04 221p h LEU 19 Ca 0.08 -0.96 -0.11 0.00 0.84 0.00 0.00 57.88 57.73 221p h LEU 19 Cb 0.37 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 221p h LEU 19 CO -0.00 1.35 -0.30 0.74 -0.34 0.00 0.00 178.44 179.89 221p h THR 20 N -0.44 1.28 0.00 1.05 2.02 -0.92 -3.09 112.91 112.81 221p h THR 20 Ca -0.12 -1.37 -0.12 0.00 0.77 0.00 0.00 66.41 65.56 221p h THR 20 Cb 1.57 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 69.36 221p h THR 20 CO 0.14 0.44 -0.59 0.40 0.37 0.00 0.00 175.52 176.27 221p h ILE 21 N 0.45 1.09 -0.83 3.11 2.04 -0.71 -2.71 117.51 119.95 221p h ILE 21 Ca 0.06 -2.31 0.01 0.00 1.00 0.00 0.00 64.86 63.62 221p h ILE 21 Cb 0.75 2.38 -0.04 0.00 -0.74 0.00 0.00 36.82 39.17 221p h ILE 21 CO 0.06 0.58 0.55 1.56 0.00 0.00 0.00 178.15 180.89 221p h GLN 22 N 0.00 1.10 0.15 2.37 1.08 -1.45 0.20 115.11 118.56 221p h GLN 22 Ca -0.01 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 221p h GLN 22 Cb 1.34 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 221p h GLN 22 CO 0.08 0.73 -0.07 1.25 -0.95 0.00 0.00 178.83 179.86 221p h LEU 23 N 1.13 -0.17 0.06 1.46 7.12 -1.41 -1.66 115.31 121.83 221p h LEU 23 Ca 0.30 -0.28 -0.14 0.00 0.13 0.00 0.00 57.88 57.90 221p h LEU 23 Cb -0.13 0.04 0.01 0.00 -0.53 0.00 0.00 40.66 40.06 221p h LEU 23 CO -0.07 0.20 -0.58 0.40 -0.13 0.00 0.00 178.44 178.26 221p h ILE 24 N -0.57 1.51 -0.16 4.05 5.03 -1.52 -3.39 117.51 122.46 221p h ILE 24 Ca -0.02 -2.26 0.00 0.00 -0.12 0.00 0.00 64.86 62.46 221p h ILE 24 Cb 0.44 2.92 0.00 0.00 -3.03 0.00 0.00 36.82 37.15 221p h ILE 24 CO 0.03 0.64 0.00 0.00 -0.68 0.00 0.00 178.15 178.14 221p n GLN 25 N -4.26 1.87 -3.71 2.37 6.02 0.66 -5.04 117.38 115.30 221p n GLN 25 Ca -0.12 -1.56 -0.22 0.00 -0.01 0.00 0.00 57.00 55.09 221p n GLN 25 Cb 0.69 -1.18 0.04 0.00 1.02 0.00 0.00 30.24 30.81 221p n GLN 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 221p n ASN 26 N 0.32 -2.03 -3.62 1.08 3.02 -0.63 -4.92 115.26 108.48 221p n ASN 26 Ca 0.07 -0.78 -0.10 0.00 -0.03 0.00 0.00 54.58 53.73 221p n ASN 26 Cb 0.31 -4.16 -0.07 0.00 -0.61 0.00 0.00 39.78 35.25 221p n ASN 26 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 221p s HIS 27 N -3.57 -0.52 -0.02 3.10 -3.43 -1.25 -5.00 115.29 104.60 221p s HIS 27 Ca 0.13 1.22 -0.30 0.00 -0.80 0.00 0.00 55.06 55.31 221p s HIS 27 Cb -0.07 0.36 -0.04 0.00 -1.43 0.00 0.00 32.58 31.41 221p s HIS 27 CO 0.80 -0.28 1.17 0.12 -2.00 0.00 0.00 174.74 174.56 221p s PHE 28 N 0.04 3.31 -0.33 0.38 5.36 -1.26 -3.95 117.98 121.54 221p s PHE 28 Ca 0.02 1.30 -0.12 0.00 -0.96 0.00 0.00 56.93 57.16 221p s PHE 28 Cb -0.04 -3.38 -0.02 0.00 -0.34 0.00 0.00 43.02 39.23 221p s PHE 28 CO -0.03 -1.14 0.23 0.08 -1.46 0.00 0.00 175.22 172.89 221p s VAL 29 N 1.77 5.22 -0.51 3.12 1.01 -1.26 -5.00 120.40 124.75 221p s VAL 29 Ca 0.56 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.40 221p s VAL 29 Cb -0.25 -3.66 0.38 0.00 0.00 0.00 0.00 36.38 32.84 221p s VAL 29 CO 0.24 0.03 1.01 -0.67 0.00 0.00 0.00 175.10 175.71 221p n ASP 30 N 5.09 4.46 -4.23 3.32 2.03 -1.26 -4.83 116.55 121.12 221p n ASP 30 Ca -0.13 -3.67 -0.18 0.00 0.52 0.00 0.00 54.79 51.33 221p n ASP 30 Cb 0.50 -0.52 -0.11 0.00 -0.72 0.00 0.00 41.12 40.27 221p n ASP 30 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 221p s GLU 31 N -3.48 1.00 -0.52 -0.67 2.12 -1.26 -5.11 118.70 110.78 221p s GLU 31 Ca 0.48 -1.21 -0.28 0.00 0.36 0.00 0.00 54.97 54.33 221p s GLU 31 Cb 0.34 -0.88 0.03 0.00 0.26 0.00 0.00 34.13 33.87 221p s GLU 31 CO -0.16 0.17 1.10 -0.47 -0.54 0.00 0.00 175.26 175.37 221p s TYR 32 N -2.05 2.75 -0.49 5.30 5.04 -1.26 -4.97 117.35 121.67 221p s TYR 32 Ca 0.08 0.46 0.06 0.00 -2.44 0.00 0.00 57.07 55.23 221p s TYR 32 Cb -0.05 -4.35 0.20 0.00 0.35 0.00 0.00 41.96 38.10 221p s TYR 32 CO 0.03 -1.38 0.67 -3.47 -1.34 0.00 0.00 175.55 170.06 221p n ASP 33 N 7.92 -2.60 -4.71 4.32 -0.08 -1.26 -5.14 116.55 115.00 221p n ASP 33 Ca 0.08 -2.86 -0.42 0.00 -1.51 0.00 0.00 54.79 50.09 221p n ASP 33 Cb 0.49 1.18 -0.03 0.00 2.34 0.00 0.00 41.12 45.10 221p n ASP 33 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 221p s PRO 34 N 0.57 4.32 0.13 -0.67 0.02 -1.26 -4.95 135.00 133.17 221p s PRO 34 Ca 0.31 2.05 -0.26 0.00 0.02 0.00 0.00 61.00 63.12 221p s PRO 34 Cb 0.05 -3.29 -0.07 0.00 0.02 0.00 0.00 34.50 31.22 221p s PRO 34 CO -0.11 -0.44 0.81 0.99 -0.33 0.00 0.00 177.00 177.91 221p s THR 35 N 1.23 4.45 -0.09 0.99 2.01 -1.26 -4.94 115.64 118.02 221p s THR 35 Ca 0.64 1.76 -0.06 0.00 0.31 0.00 0.00 61.69 64.34 221p s THR 35 Cb -0.36 -4.17 -0.02 0.00 0.01 0.00 0.00 72.50 67.96 221p s THR 35 CO 0.30 0.46 -0.12 -0.38 -0.69 0.00 0.00 174.62 174.19 221p n ILE 36 N 2.04 0.96 -3.64 1.82 5.41 -1.26 -4.03 119.36 120.65 221p n ILE 36 Ca -0.04 0.31 -0.05 0.00 1.00 0.00 0.00 62.75 63.98 221p n ILE 36 Cb 0.49 -2.10 -0.07 0.00 -0.71 0.00 0.00 39.64 37.25 221p n ILE 36 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 221p s GLU 37 N -1.84 0.44 0.09 0.38 2.12 -1.26 -3.36 118.70 115.27 221p s GLU 37 Ca -0.10 0.66 0.06 0.00 0.36 0.00 0.00 54.97 55.95 221p s GLU 37 Cb 0.01 0.14 -0.03 0.00 0.26 0.00 0.00 34.13 34.51 221p s GLU 37 CO 0.15 -0.08 -0.16 -1.21 -0.54 0.00 0.00 175.26 173.42 221p s GLU 38 N 0.96 0.95 0.01 4.30 8.01 -0.41 -4.99 118.70 127.52 221p s GLU 38 Ca -0.05 -1.09 0.01 0.00 0.01 0.00 0.00 54.97 53.86 221p s GLU 38 Cb -0.04 -0.98 -0.01 0.00 -4.31 0.00 0.00 34.13 28.80 221p s GLU 38 CO -0.12 0.21 -0.04 0.45 0.01 0.00 0.00 175.26 175.77 221p s SER 39 N -1.99 0.40 -0.03 -0.19 0.15 -1.26 0.50 113.70 111.28 221p s SER 39 Ca 0.03 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.53 221p s SER 39 Cb -0.08 -0.02 0.03 0.00 -1.71 0.00 0.00 66.02 64.24 221p s SER 39 CO 0.03 -0.02 0.00 -0.31 1.20 0.00 0.00 173.24 174.14 221p s TYR 40 N -0.36 0.32 -0.11 3.44 1.51 -0.46 -5.00 117.35 116.69 221p s TYR 40 Ca -0.02 -0.00 0.02 0.00 -1.01 0.00 0.00 57.07 56.06 221p s TYR 40 Cb -0.03 -0.42 -0.01 0.00 -0.11 0.00 0.00 41.96 41.39 221p s TYR 40 CO -0.00 -0.13 -0.18 1.03 -1.11 0.00 0.00 175.55 175.15 221p s ARG 41 N 1.05 3.19 -0.19 -0.62 0.52 -1.25 0.41 118.95 122.05 221p s ARG 41 Ca -0.09 -0.78 -0.07 0.00 -0.52 0.00 0.00 55.73 54.27 221p s ARG 41 Cb -0.13 -2.47 0.09 0.00 0.52 0.00 0.00 34.95 32.96 221p s ARG 41 CO -0.02 0.22 0.40 0.21 0.02 0.00 0.00 175.30 176.13 221p s LYS 42 N 0.29 0.31 0.02 3.54 2.20 0.28 -4.96 119.74 121.41 221p s LYS 42 Ca -0.13 1.00 -0.30 0.00 -0.36 0.00 0.00 55.97 56.17 221p s LYS 42 Cb -0.17 0.28 -0.06 0.00 -1.51 0.00 0.00 37.83 36.37 221p s LYS 42 CO 0.07 -0.25 1.53 -1.14 -0.36 0.00 0.00 175.35 175.20 221p s GLN 43 N 2.53 4.23 0.15 4.03 -0.44 -1.26 -0.00 119.66 128.90 221p s GLN 43 Ca -0.02 2.13 -0.11 0.00 -2.50 0.00 0.00 55.36 54.86 221p s GLN 43 Cb -0.12 -3.64 0.01 0.00 -1.64 0.00 0.00 33.01 27.62 221p s GLN 43 CO -0.12 -0.68 0.32 0.54 0.50 0.00 0.00 175.29 175.85 221p s VAL 44 N 2.74 0.08 -0.16 1.34 0.11 0.38 -4.96 120.40 119.93 221p s VAL 44 Ca 0.69 -1.11 -0.01 0.00 -2.93 0.00 0.00 61.98 58.62 221p s VAL 44 Cb -0.35 -1.58 -0.01 0.00 -1.53 0.00 0.00 36.38 32.92 221p s VAL 44 CO 0.29 -0.35 -0.12 -0.69 -3.33 0.00 0.00 175.10 170.90 221p s VAL 45 N -3.90 3.01 -0.20 2.04 1.01 -1.26 -1.21 120.40 119.89 221p s VAL 45 Ca 0.11 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.44 221p s VAL 45 Cb 0.03 -2.29 0.04 0.00 0.00 0.00 0.00 36.38 34.16 221p s VAL 45 CO -0.05 0.50 -0.10 -0.63 0.00 0.00 0.00 175.10 174.82 221p s ILE 46 N 0.70 1.66 -1.47 2.22 1.01 -0.32 -4.82 121.20 120.19 221p s ILE 46 Ca -0.06 -1.03 -0.11 0.00 0.00 0.00 0.00 60.65 59.45 221p s ILE 46 Cb -0.15 -1.74 0.06 0.00 0.01 0.00 0.00 42.46 40.64 221p s ILE 46 CO 0.02 0.16 0.94 0.47 0.00 0.00 0.00 174.94 176.54 221p n ASP 47 N 4.68 -5.28 0.00 3.58 8.00 -1.26 -1.70 116.55 124.57 221p n ASP 47 Ca -0.15 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.73 221p n ASP 47 Cb 0.46 -4.21 0.00 0.00 -0.02 0.00 0.00 41.12 37.35 221p n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 221p n GLY 48 N -1.70 3.04 3.73 0.44 0.00 -1.26 -5.05 105.19 104.39 221p n GLY 48 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 221p n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 221p s GLU 49 N -0.56 4.35 -0.18 1.61 2.12 -0.69 -5.03 118.70 120.31 221p s GLU 49 Ca 0.00 0.59 -0.29 0.00 0.36 0.00 0.00 54.97 55.63 221p s GLU 49 Cb 0.00 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.97 221p s GLU 49 CO 0.00 0.18 1.04 0.99 -0.54 0.00 0.00 175.26 176.93 221p s THR 50 N 0.51 4.69 0.14 -1.70 2.01 -1.26 -1.17 115.64 118.86 221p s THR 50 Ca 0.29 2.01 -0.14 0.00 0.31 0.00 0.00 61.69 64.16 221p s THR 50 Cb -0.16 -4.30 0.02 0.00 0.01 0.00 0.00 72.50 68.07 221p s THR 50 CO 0.13 -0.11 0.37 0.00 -0.69 0.00 0.00 174.62 174.32 221p s LEU 52 N -2.86 3.30 -0.53 0.00 2.96 -0.28 -0.47 118.68 120.81 221p s LEU 52 Ca 0.07 -0.15 -0.26 0.00 -0.22 0.00 0.00 54.13 53.57 221p s LEU 52 Cb 0.02 -1.82 0.03 0.00 0.50 0.00 0.00 46.19 44.92 221p s LEU 52 CO -0.08 0.11 1.05 -0.76 -1.32 0.00 0.00 176.35 175.35 221p s LEU 53 N 0.71 3.80 -0.53 -0.68 1.02 1.00 -1.40 118.68 122.60 221p s LEU 53 Ca -0.00 0.02 -0.12 0.00 0.02 0.00 0.00 54.13 54.04 221p s LEU 53 Cb -0.14 -3.12 0.13 0.00 0.02 0.00 0.00 46.19 43.08 221p s LEU 53 CO 0.02 -1.27 0.44 -0.62 0.02 0.00 0.00 176.35 174.94 221p s ASP 54 N 2.69 5.95 -0.15 2.29 2.15 -0.90 -0.56 116.67 128.15 221p s ASP 54 Ca 0.38 -1.95 -0.04 0.00 0.43 0.00 0.00 52.55 51.37 221p s ASP 54 Cb -0.10 -2.10 -0.03 0.00 -0.30 0.00 0.00 42.92 40.39 221p s ASP 54 CO 0.25 -0.74 0.00 -0.63 -0.17 0.00 0.00 175.17 173.88 221p s ILE 55 N 1.33 4.28 -0.24 4.11 1.01 0.16 -1.00 121.20 130.85 221p s ILE 55 Ca 0.06 -0.23 -0.08 0.00 0.00 0.00 0.00 60.65 60.41 221p s ILE 55 Cb -0.26 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 221p s ILE 55 CO 0.00 0.51 0.08 -0.22 0.00 0.00 0.00 174.94 175.31 221p s LEU 56 N 0.07 3.55 -0.10 2.97 2.96 0.17 -1.35 118.68 126.95 221p s LEU 56 Ca 0.02 -0.15 -0.14 0.00 -0.22 0.00 0.00 54.13 53.64 221p s LEU 56 Cb -0.13 -1.95 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 221p s LEU 56 CO 0.02 -0.01 0.34 -0.62 -1.32 0.00 0.00 176.35 174.76 221p s ASP 57 N 1.47 6.58 0.51 3.68 2.15 0.18 -1.57 116.67 129.67 221p s ASP 57 Ca 0.06 0.69 0.01 0.00 0.43 0.00 0.00 52.55 53.74 221p s ASP 57 Cb -0.15 -2.21 -0.01 0.00 -0.30 0.00 0.00 42.92 40.25 221p s ASP 57 CO 0.04 0.19 0.01 0.42 -0.17 0.00 0.00 175.17 175.66 221p s THR 58 N -0.16 1.18 0.33 1.71 -4.23 -1.22 -1.28 115.64 111.97 221p s THR 58 Ca 0.20 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.59 221p s THR 58 Cb -0.14 -2.17 -0.08 0.00 1.34 0.00 0.00 72.50 71.44 221p s THR 58 CO 0.08 0.00 0.71 0.00 -0.54 0.00 0.00 174.62 174.87 221p s ALA 59 N -2.87 3.37 -0.01 3.99 0.00 -1.21 -4.68 121.76 120.34 221p s ALA 59 Ca 0.07 -0.06 -0.22 0.00 0.00 0.00 0.00 51.96 51.74 221p s ALA 59 Cb 0.02 -2.70 -0.12 0.00 0.00 0.00 0.00 23.12 20.32 221p s ALA 59 CO 0.04 0.29 0.92 0.78 0.00 0.00 0.00 175.76 177.78 221p h GLY 60 N 2.08 -0.83 0.00 0.00 0.00 -1.79 -3.45 103.07 99.08 221p h GLY 60 Ca -0.48 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.16 221p h GLY 60 CO 0.66 -0.30 0.00 0.61 0.00 0.00 0.00 176.54 177.50 221p n GLN 61 N -5.30 0.00 0.00 4.80 10.64 -1.26 -4.07 117.38 122.19 221p n GLN 61 Ca -0.10 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.07 221p n GLN 61 Cb 0.31 -0.09 0.00 0.00 -0.86 0.00 0.00 30.24 29.60 221p n GLN 61 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 221p n GLU 62 N -2.70 0.00 0.00 2.61 0.00 -1.26 -3.25 120.64 116.04 221p n GLU 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 221p n GLU 62 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 221p n GLU 62 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 221p n GLU 63 N 0.00 0.91 -2.31 5.31 0.28 -1.26 -4.70 120.64 118.87 221p n GLU 63 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 221p n GLU 63 Cb 0.00 -1.43 -0.02 0.00 1.43 0.00 0.00 31.44 31.41 221p n GLU 63 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 221p s TYR 64 N -0.93 2.25 0.00 -1.84 1.51 -1.20 -4.54 117.35 112.60 221p s TYR 64 Ca 0.00 0.60 0.00 0.00 -1.01 0.00 0.00 57.07 56.66 221p s TYR 64 Cb 0.00 -4.31 0.00 0.00 -0.11 0.00 0.00 41.96 37.54 221p s TYR 64 CO 0.00 -2.09 0.00 0.43 -1.11 0.00 0.00 175.55 172.78 221p n SER 65 N 9.49 0.00 0.00 2.29 7.64 -1.26 -4.83 113.62 126.95 221p n SER 65 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 221p n SER 65 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 221p n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 221p n ALA 66 N -3.00 0.93 0.32 -0.43 0.00 -1.26 -0.25 120.51 116.82 221p n ALA 66 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 221p n ALA 66 Cb 0.00 -0.75 1.10 0.00 0.00 0.00 0.00 19.45 19.80 221p n ALA 66 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 221p h MET 67 N 0.00 0.00 0.00 0.00 -1.53 -1.88 -2.89 114.93 108.63 221p h MET 67 Ca 0.00 0.00 -0.09 0.00 -3.44 0.00 0.00 59.70 56.17 221p h MET 67 Cb 0.13 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.17 221p h MET 67 CO 0.00 0.01 -0.76 0.00 0.14 0.00 0.00 176.91 176.30 221p h ARG 68 N 0.00 0.00 -0.96 0.39 3.08 -0.95 -3.40 114.38 112.55 221p h ARG 68 Ca -0.00 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.16 221p h ARG 68 Cb 0.04 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.01 221p h ARG 68 CO 0.00 0.27 0.59 -0.44 -1.07 0.00 0.00 179.97 179.32 221p h ASP 69 N 0.00 0.86 -0.17 7.04 5.19 -1.67 -1.44 116.42 126.23 221p h ASP 69 Ca -0.05 0.05 0.04 0.00 -0.62 0.00 0.00 57.03 56.45 221p h ASP 69 Cb 1.31 -0.12 -0.04 0.00 0.18 0.00 0.00 39.33 40.66 221p h ASP 69 CO 0.04 0.47 -0.06 -0.61 -3.12 0.00 0.00 179.24 175.96 221p h GLN 70 N 0.94 -0.03 0.00 3.56 4.15 -1.77 0.39 115.11 122.36 221p h GLN 70 Ca 0.47 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.74 221p h GLN 70 Cb 0.45 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 221p h GLN 70 CO -0.26 -0.02 -0.73 0.10 -1.93 0.00 0.00 178.83 176.00 221p h TYR 71 N -0.03 0.00 0.00 3.99 -0.00 -1.66 -3.07 116.97 116.21 221p h TYR 71 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.82 221p h TYR 71 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.89 221p h TYR 71 CO -0.21 0.71 0.00 0.52 -0.00 0.00 0.00 178.16 179.18 221p h MET 72 N 0.00 0.00 0.00 0.10 2.86 -1.01 -1.44 114.93 115.44 221p h MET 72 Ca -0.01 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.42 221p h MET 72 Cb 1.55 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.21 221p h MET 72 CO 0.09 0.00 -0.92 -0.09 1.06 0.00 0.00 176.91 177.06 221p h ARG 73 N 0.00 0.32 0.00 1.72 2.43 -0.84 -3.35 114.38 114.66 221p h ARG 73 Ca 0.00 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 221p h ARG 73 Cb 0.53 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 221p h ARG 73 CO 0.00 1.04 -0.43 1.79 -1.51 0.00 0.00 179.97 180.86 221p h THR 74 N 0.18 0.00 -3.70 0.20 1.35 -1.39 -3.46 112.91 106.09 221p h THR 74 Ca -0.06 -0.69 -0.50 0.00 -0.55 0.00 0.00 66.41 64.60 221p h THR 74 Cb 1.55 1.44 -0.02 0.00 -1.73 0.00 0.00 68.15 69.39 221p h THR 74 CO 0.15 0.00 0.32 -0.83 -0.25 0.00 0.00 175.52 174.92 221p s GLY 75 N -3.89 3.08 -0.01 5.82 0.00 -0.57 -4.91 107.32 106.83 221p s GLY 75 Ca 0.06 0.58 0.04 0.00 0.00 0.00 0.00 44.72 45.39 221p s GLY 75 CO 0.70 1.16 0.78 0.83 0.00 0.00 0.00 173.10 176.56 221p h GLU 76 N 4.28 0.12 -3.82 2.90 5.08 -1.00 -3.48 114.58 118.66 221p h GLU 76 Ca -0.45 -0.21 -0.19 0.00 -1.00 0.00 0.00 59.36 57.51 221p h GLU 76 Cb 1.20 0.08 -0.24 0.00 0.50 0.00 0.00 28.75 30.29 221p h GLU 76 CO 0.68 0.88 -0.68 0.20 -1.00 0.00 0.00 179.01 179.09 221p s GLY 77 N -5.06 0.12 -0.04 -3.84 0.00 -1.16 -4.29 107.32 93.05 221p s GLY 77 Ca -0.08 -0.29 0.06 0.00 0.00 0.00 0.00 44.72 44.41 221p s GLY 77 CO 0.83 -0.35 -0.20 -1.36 0.00 0.00 0.00 173.10 172.02 221p s PHE 78 N -0.89 2.52 -0.32 1.90 0.08 -0.03 -2.53 117.98 118.71 221p s PHE 78 Ca -0.10 -0.29 -0.12 0.00 0.12 0.00 0.00 56.93 56.54 221p s PHE 78 Cb -0.06 -1.57 -0.02 0.00 -0.57 0.00 0.00 43.02 40.80 221p s PHE 78 CO -0.00 0.08 0.21 -1.17 -0.10 0.00 0.00 175.22 174.23 221p s LEU 79 N -0.67 4.31 -0.42 -0.37 2.96 -0.62 -1.93 118.68 121.94 221p s LEU 79 Ca 0.11 -0.39 -0.07 0.00 -0.22 0.00 0.00 54.13 53.56 221p s LEU 79 Cb -0.10 -2.09 0.09 0.00 0.50 0.00 0.00 46.19 44.59 221p s LEU 79 CO -0.00 -0.19 0.25 0.00 -1.32 0.00 0.00 176.35 175.09 221p s VAL 81 N 1.34 5.50 0.34 0.00 1.01 0.02 -1.51 120.40 127.11 221p s VAL 81 Ca 0.04 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.26 221p s VAL 81 Cb -0.23 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 221p s VAL 81 CO 0.00 0.61 0.12 0.72 0.00 0.00 0.00 175.10 176.55 221p s PHE 82 N -1.04 1.74 -0.10 5.22 -0.71 -0.71 -3.80 117.98 118.57 221p s PHE 82 Ca 0.16 -1.24 -0.01 0.00 -1.04 0.00 0.00 56.93 54.79 221p s PHE 82 Cb -0.12 -1.06 -0.03 0.00 -1.21 0.00 0.00 43.02 40.60 221p s PHE 82 CO 0.05 -0.32 -0.04 0.00 -1.34 0.00 0.00 175.22 173.57 221p s ALA 83 N -3.41 3.09 -1.49 1.99 0.00 -1.26 -0.47 121.76 120.20 221p s ALA 83 Ca 0.32 -0.84 0.22 0.00 0.00 0.00 0.00 51.96 51.66 221p s ALA 83 Cb 0.05 -1.42 1.14 0.00 0.00 0.00 0.00 23.12 22.89 221p s ALA 83 CO 0.16 0.46 1.71 0.44 0.00 0.00 0.00 175.76 178.53 221p n ILE 84 N 2.61 0.28 -1.27 0.00 -6.64 -0.28 -2.30 119.36 111.77 221p n ILE 84 Ca -0.18 0.07 0.01 0.00 -1.77 0.00 0.00 62.75 60.88 221p n ILE 84 Cb 0.53 -0.71 0.22 0.00 -1.44 0.00 0.00 39.64 38.24 221p n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.77 0.00 0.00 176.55 174.32 221p n ASN 85 N -1.25 2.94 -3.42 7.28 6.94 -1.26 -0.99 115.26 125.51 221p n ASN 85 Ca 0.11 -3.47 -0.21 0.00 -0.02 0.00 0.00 54.58 50.98 221p n ASN 85 Cb 0.16 -0.59 -0.10 0.00 -2.36 0.00 0.00 39.78 36.89 221p n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 221p s ASN 86 N -2.36 2.03 0.21 0.53 3.84 -0.97 -4.74 114.94 113.48 221p s ASN 86 Ca 0.43 -1.51 -0.10 0.00 0.21 0.00 0.00 52.86 51.90 221p s ASN 86 Cb 0.38 0.20 0.23 0.00 -0.55 0.00 0.00 41.25 41.50 221p s ASN 86 CO 0.03 -0.32 1.81 0.74 -2.79 0.00 0.00 177.10 176.57 221p h THR 87 N 5.49 0.99 0.00 -5.21 2.02 -1.89 -2.17 112.91 112.14 221p h THR 87 Ca -0.02 -0.24 -0.08 0.00 0.77 0.00 0.00 66.41 66.84 221p h THR 87 Cb 1.03 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 221p h THR 87 CO 0.28 0.13 -0.38 0.07 0.37 0.00 0.00 175.52 175.98 221p h LYS 88 N 0.71 0.00 0.00 6.66 2.10 -1.96 -1.69 116.57 122.39 221p h LYS 88 Ca 0.29 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.91 221p h LYS 88 Cb 0.16 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.48 221p h LYS 88 CO -0.17 0.38 -0.18 0.66 -2.00 0.00 0.00 179.45 178.15 221p h SER 89 N 0.00 0.00 -0.42 7.07 4.64 -1.75 0.02 113.55 123.10 221p h SER 89 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 221p h SER 89 Cb 0.69 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 221p h SER 89 CO 0.05 0.18 -0.26 0.15 -0.87 0.00 0.00 176.83 176.08 221p h PHE 90 N 0.00 1.10 -0.03 4.77 3.57 -1.14 -3.10 116.94 122.11 221p h PHE 90 Ca -0.00 -0.28 -0.16 0.00 3.53 0.00 0.00 57.97 61.05 221p h PHE 90 Cb 0.32 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 221p h PHE 90 CO 0.00 1.10 -0.71 0.93 -2.23 0.00 0.00 178.31 177.40 221p h GLU 91 N 0.81 0.17 0.00 1.11 5.08 -0.79 -2.87 114.58 118.10 221p h GLU 91 Ca 0.10 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 221p h GLU 91 Cb 0.84 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.12 221p h GLU 91 CO 0.07 0.81 0.00 -0.25 -1.00 0.00 0.00 179.01 178.64 221p n ASP 92 N -3.77 0.00 -0.34 1.42 8.00 -0.06 -3.06 116.55 118.74 221p n ASP 92 Ca -0.02 0.20 0.04 0.00 0.71 0.00 0.00 54.79 55.71 221p n ASP 92 Cb 0.69 -0.37 0.21 0.00 -0.02 0.00 0.00 41.12 41.63 221p n ASP 92 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 221p h ILE 93 N 0.00 1.07 -0.71 0.53 1.08 -1.52 -1.78 117.51 116.18 221p h ILE 93 Ca 0.00 -0.38 0.01 0.00 -0.39 0.00 0.00 64.86 64.10 221p h ILE 93 Cb 0.23 -0.13 -0.04 0.00 -3.07 0.00 0.00 36.82 33.81 221p h ILE 93 CO 0.00 0.20 0.47 -0.74 -0.69 0.00 0.00 178.15 177.39 221p h HIS 94 N 1.10 0.89 -0.56 1.37 2.76 -1.77 -2.00 115.15 116.95 221p h HIS 94 Ca 0.42 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.56 221p h HIS 94 Cb 0.21 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 221p h HIS 94 CO -0.00 0.56 0.14 1.96 -1.30 0.00 0.00 177.93 179.29 221p h GLN 95 N 0.96 0.89 -0.16 5.26 7.50 -1.55 -2.04 115.11 125.97 221p h GLN 95 Ca 0.26 -0.21 -0.02 0.00 0.50 0.00 0.00 58.65 59.18 221p h GLN 95 Cb -0.10 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.30 221p h GLN 95 CO -0.06 0.83 0.01 1.88 -1.50 0.00 0.00 178.83 179.99 221p h TYR 96 N 0.79 0.30 -0.27 2.96 0.05 -1.33 -2.85 116.97 116.61 221p h TYR 96 Ca 0.18 -0.05 0.06 0.00 0.05 0.00 0.00 58.73 58.97 221p h TYR 96 Cb 0.34 -0.08 -0.08 0.00 1.01 0.00 0.00 36.73 37.92 221p h TYR 96 CO 0.02 0.48 -0.37 -0.09 -1.05 0.00 0.00 178.16 177.15 221p h ARG 97 N 0.03 -0.35 -0.74 4.88 9.65 -1.38 -2.04 114.38 124.43 221p h ARG 97 Ca 0.05 0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.91 221p h ARG 97 Cb 0.36 0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.98 221p h ARG 97 CO 0.01 -0.23 0.31 0.93 2.80 0.00 0.00 179.97 183.79 221p h GLU 98 N -0.36 1.09 -0.36 0.20 4.39 -1.41 -0.09 114.58 118.04 221p h GLU 98 Ca 0.12 -0.18 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 221p h GLU 98 Cb 0.57 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 221p h GLU 98 CO -0.47 0.88 -0.06 0.37 -1.16 0.00 0.00 179.01 178.56 221p h GLN 99 N 1.07 0.68 -0.58 2.33 4.15 -1.52 0.14 115.11 121.39 221p h GLN 99 Ca 0.25 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 221p h GLN 99 Cb 0.18 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 221p h GLN 99 CO -0.02 0.82 0.31 0.82 -1.93 0.00 0.00 178.83 178.83 221p h ILE 100 N 0.48 1.19 -0.76 2.39 2.04 -0.87 -0.29 117.51 121.69 221p h ILE 100 Ca 0.09 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.47 221p h ILE 100 Cb 0.56 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 221p h ILE 100 CO 0.03 0.21 0.50 0.11 0.00 0.00 0.00 178.15 179.00 221p h LYS 101 N 0.78 0.99 0.65 2.37 1.57 -0.82 -1.43 116.57 120.69 221p h LYS 101 Ca 0.20 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 221p h LYS 101 Cb 0.05 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 221p h LYS 101 CO -0.03 0.65 -0.48 0.00 -0.57 0.00 0.00 179.45 179.02 221p h ARG 102 N 1.02 -1.05 0.00 3.15 3.08 -0.19 -2.31 114.38 118.08 221p h ARG 102 Ca 0.28 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.40 221p h ARG 102 Cb -0.11 0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.18 221p h ARG 102 CO -0.07 -0.70 0.00 -0.39 -1.07 0.00 0.00 179.97 177.74 221p h VAL 103 N -1.09 0.00 -0.01 2.04 -1.51 -1.05 -3.02 116.25 111.61 221p h VAL 103 Ca -0.09 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 221p h VAL 103 Cb 0.90 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.19 221p h VAL 103 CO 0.03 0.00 -0.20 1.17 -1.23 0.00 0.00 177.57 177.34 221p n LYS 104 N -2.30 0.89 -2.19 5.19 3.00 -0.54 -4.82 118.16 117.39 221p n LYS 104 Ca 0.03 -0.48 -0.13 0.00 -0.00 0.00 0.00 58.31 57.73 221p n LYS 104 Cb 0.28 -1.49 -0.02 0.00 0.00 0.00 0.00 35.03 33.81 221p n LYS 104 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 221p n ASP 105 N -0.63 -3.81 -3.84 3.14 8.00 -0.90 -4.92 116.55 113.58 221p n ASP 105 Ca 0.13 0.22 -0.13 0.00 0.71 0.00 0.00 54.79 55.72 221p n ASP 105 Cb 0.33 -3.31 -0.14 0.00 -0.02 0.00 0.00 41.12 37.98 221p n ASP 105 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 221p s SER 106 N -2.04 0.00 -0.02 -2.24 0.15 -1.02 -5.00 113.70 103.53 221p s SER 106 Ca 0.00 0.04 0.10 0.00 0.70 0.00 0.00 55.95 56.80 221p s SER 106 Cb 0.00 0.01 -0.23 0.00 -1.71 0.00 0.00 66.02 64.09 221p s SER 106 CO 0.00 -0.04 0.75 0.44 1.20 0.00 0.00 173.24 175.59 221p h ASP 107 N 6.44 0.04 -3.30 5.45 3.32 -1.91 -3.39 116.42 123.07 221p h ASP 107 Ca -0.30 -0.07 -0.73 0.00 0.02 0.00 0.00 57.03 55.95 221p h ASP 107 Cb 1.19 -0.01 -0.29 0.00 0.22 0.00 0.00 39.33 40.43 221p h ASP 107 CO 0.49 1.06 -0.39 -0.62 -1.72 0.00 0.00 179.24 178.07 221p s ASP 108 N -6.27 5.73 -0.10 6.45 -1.08 -1.26 -4.98 116.67 115.16 221p s ASP 108 Ca -0.05 -1.87 0.04 0.00 -0.52 0.00 0.00 52.55 50.15 221p s ASP 108 Cb 0.08 -2.02 0.00 0.00 -1.46 0.00 0.00 42.92 39.52 221p s ASP 108 CO 0.82 -0.69 -0.23 0.54 0.52 0.00 0.00 175.17 176.13 221p s VAL 109 N 1.38 2.03 -0.09 1.11 0.11 -1.26 -5.10 120.40 118.58 221p s VAL 109 Ca 0.05 -0.99 -0.40 0.00 -2.93 0.00 0.00 61.98 57.71 221p s VAL 109 Cb -0.26 -1.76 -0.18 0.00 -1.53 0.00 0.00 36.38 32.65 221p s VAL 109 CO -0.00 0.55 1.35 -2.65 -3.33 0.00 0.00 175.10 171.02 221p n PRO 110 N 3.60 0.59 -3.52 1.54 -0.02 -1.26 -4.87 135.00 131.06 221p n PRO 110 Ca -0.19 0.21 -0.15 0.00 -2.02 0.00 0.00 63.50 61.35 221p n PRO 110 Cb 0.53 -1.79 -0.05 0.00 -0.02 0.00 0.00 33.50 32.16 221p n PRO 110 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 221p s MET 111 N 1.20 0.99 -0.01 -0.52 1.75 -1.26 -0.85 119.30 120.59 221p s MET 111 Ca 0.92 0.11 -0.05 0.00 -1.25 0.00 0.00 55.69 55.43 221p s MET 111 Cb -1.16 0.46 0.00 0.00 2.84 0.00 0.00 34.83 36.97 221p s MET 111 CO 0.59 -0.33 0.10 0.14 -0.65 0.00 0.00 175.02 174.86 221p s VAL 112 N -1.61 0.06 -0.18 10.11 -7.23 -0.81 -4.48 120.40 116.25 221p s VAL 112 Ca -0.07 -0.49 -0.09 0.00 -1.81 0.00 0.00 61.98 59.53 221p s VAL 112 Cb -0.00 -0.30 -0.05 0.00 0.56 0.00 0.00 36.38 36.59 221p s VAL 112 CO 0.04 -0.27 0.13 -0.22 -0.31 0.00 0.00 175.10 174.48 221p s LEU 113 N -0.88 4.26 -0.16 1.32 2.96 -0.53 -0.99 118.68 124.66 221p s LEU 113 Ca -0.10 0.30 0.01 0.00 -0.22 0.00 0.00 54.13 54.12 221p s LEU 113 Cb -0.06 -2.08 0.02 0.00 0.50 0.00 0.00 46.19 44.57 221p s LEU 113 CO 0.01 0.25 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.42 221p s VAL 114 N -0.06 1.82 -0.45 1.68 1.01 -0.57 -1.19 120.40 122.65 221p s VAL 114 Ca 0.10 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 221p s VAL 114 Cb -0.11 -1.67 0.03 0.00 0.00 0.00 0.00 36.38 34.62 221p s VAL 114 CO -0.00 0.50 0.57 -0.83 0.00 0.00 0.00 175.10 175.34 221p s GLY 115 N 1.38 1.78 0.51 4.51 0.00 -1.06 -1.74 107.32 112.70 221p s GLY 115 Ca 0.05 -1.43 -0.02 0.00 0.00 0.00 0.00 44.72 43.33 221p s GLY 115 CO -0.12 1.40 0.76 0.21 0.00 0.00 0.00 173.10 175.35 221p s ASN 116 N 2.09 5.71 -0.13 1.64 2.47 0.37 -1.54 114.94 125.54 221p s ASN 116 Ca 0.18 0.41 -0.00 0.00 0.42 0.00 0.00 52.86 53.86 221p s ASN 116 Cb -0.16 -1.55 0.00 0.00 -1.45 0.00 0.00 41.25 38.09 221p s ASN 116 CO 0.16 -0.86 0.06 0.29 -3.72 0.00 0.00 177.10 173.03 221p n LYS 117 N -2.27 -0.49 0.00 0.43 5.02 -0.05 -1.13 118.16 119.67 221p n LYS 117 Ca 0.03 0.08 0.07 0.00 -2.02 0.00 0.00 58.31 56.47 221p n LYS 117 Cb 0.58 -3.14 0.33 0.00 -0.02 0.00 0.00 35.03 32.78 221p n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 221p h ASP 119 N 0.00 0.51 -2.15 0.00 2.03 -1.92 -3.45 116.42 111.44 221p h ASP 119 Ca 0.00 -0.42 -0.59 0.00 -0.73 0.00 0.00 57.03 55.29 221p h ASP 119 Cb 0.18 -0.14 0.03 0.00 -0.83 0.00 0.00 39.33 38.57 221p h ASP 119 CO 0.00 0.82 1.03 0.18 -1.03 0.00 0.00 179.24 180.24 221p n LEU 120 N -4.49 3.45 -4.76 0.15 4.77 -1.04 -4.99 117.00 110.09 221p n LEU 120 Ca -0.04 1.00 -0.39 0.00 -0.03 0.00 0.00 56.01 56.54 221p n LEU 120 Cb 0.35 -1.41 -0.06 0.00 -2.33 0.00 0.00 43.42 39.97 221p n LEU 120 CO 0.40 -0.08 0.69 0.00 -1.33 0.00 0.00 177.39 177.07 221p s ALA 121 N 3.15 3.31 0.00 -1.18 0.00 -1.26 -4.31 121.76 121.47 221p s ALA 121 Ca 0.88 0.67 0.00 0.00 0.00 0.00 0.00 51.96 53.51 221p s ALA 121 Cb -0.66 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.23 221p s ALA 121 CO 0.46 0.09 0.00 0.00 0.00 0.00 0.00 175.76 176.31 221p n ALA 122 N 1.11 0.00 -1.61 0.00 0.00 -1.26 -5.12 120.51 113.63 221p n ALA 122 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 221p n ALA 122 Cb 0.47 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.95 221p n ALA 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 221p s ARG 123 N -0.46 3.12 0.00 0.00 1.70 -1.26 -4.69 118.95 117.36 221p s ARG 123 Ca 0.00 1.27 0.04 0.00 -0.47 0.00 0.00 55.73 56.57 221p s ARG 123 Cb 0.00 -2.00 -0.04 0.00 -0.57 0.00 0.00 34.95 32.34 221p s ARG 123 CO 0.00 -0.98 0.21 0.25 -1.08 0.00 0.00 175.30 173.70 221p n THR 124 N -2.19 0.00 -3.78 4.99 -2.24 -0.16 -4.88 114.28 106.02 221p n THR 124 Ca 0.09 -0.41 -0.37 0.00 -2.27 0.00 0.00 64.05 61.10 221p n THR 124 Cb 0.52 1.01 -0.12 0.00 -2.10 0.00 0.00 70.33 69.64 221p n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 221p s VAL 125 N -1.30 3.39 0.25 2.28 1.01 -0.59 -4.88 120.40 120.56 221p s VAL 125 Ca 0.02 -1.77 -0.31 0.00 0.00 0.00 0.00 61.98 59.92 221p s VAL 125 Cb 0.03 -3.19 -0.12 0.00 0.00 0.00 0.00 36.38 33.11 221p s VAL 125 CO 0.16 -0.51 1.67 -0.62 0.00 0.00 0.00 175.10 175.80 221p n GLU 126 N 4.66 2.75 0.28 2.72 4.71 -1.26 -4.91 120.64 129.59 221p n GLU 126 Ca -0.06 0.99 0.15 0.00 -0.01 0.00 0.00 57.16 58.22 221p n GLU 126 Cb 0.42 -2.81 0.87 0.00 -1.01 0.00 0.00 31.44 28.92 221p n GLU 126 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 221p h SER 127 N 5.89 0.00 -0.30 1.62 0.02 -1.99 -2.33 113.55 116.47 221p h SER 127 Ca -0.45 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.47 221p h SER 127 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 221p h SER 127 CO 0.88 0.00 0.07 -0.09 -1.14 0.00 0.00 176.83 176.56 221p h ARG 128 N 0.00 0.48 -0.19 3.45 2.43 -1.98 0.15 114.38 118.72 221p h ARG 128 Ca 0.02 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 59.11 221p h ARG 128 Cb 0.09 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 221p h ARG 128 CO -0.00 0.55 -0.07 0.37 -1.51 0.00 0.00 179.97 179.32 221p h GLN 129 N 0.32 -0.03 -0.30 0.20 4.15 -1.82 0.24 115.11 117.85 221p h GLN 129 Ca 0.09 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.39 221p h GLN 129 Cb 0.29 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.98 221p h GLN 129 CO 0.00 -0.02 -0.30 0.00 -1.93 0.00 0.00 178.83 176.58 221p h ALA 130 N 1.15 0.45 -0.53 3.38 0.00 -1.55 -2.51 119.26 119.64 221p h ALA 130 Ca 0.10 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 221p h ALA 130 Cb 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 221p h ALA 130 CO -0.21 0.48 -0.11 0.37 0.00 0.00 0.00 179.25 179.77 221p h GLN 131 N 0.50 1.01 -0.84 0.00 5.75 -0.41 -0.61 115.11 120.51 221p h GLN 131 Ca 0.05 -0.38 0.08 0.00 -0.15 0.00 0.00 58.65 58.25 221p h GLN 131 Cb 0.88 -0.06 -0.07 0.00 1.07 0.00 0.00 27.48 29.30 221p h GLN 131 CO 0.08 1.06 0.50 -0.44 -2.65 0.00 0.00 178.83 177.38 221p h ASP 132 N 0.89 0.74 0.14 -0.69 3.32 -0.58 -0.63 116.42 119.61 221p h ASP 132 Ca 0.14 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 221p h ASP 132 Cb 0.68 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.12 221p h ASP 132 CO 0.05 0.44 -0.07 0.25 -1.72 0.00 0.00 179.24 178.19 221p h LEU 133 N 0.86 -0.16 -1.41 1.55 5.85 -1.21 -1.58 115.31 119.21 221p h LEU 133 Ca 0.39 -0.20 0.20 0.00 0.84 0.00 0.00 57.88 59.10 221p h LEU 133 Cb 0.29 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 221p h LEU 133 CO -0.22 0.12 0.60 0.00 -0.34 0.00 0.00 178.44 178.60 221p h ALA 134 N 0.36 2.10 -0.05 1.25 0.00 -0.83 0.70 119.26 122.79 221p h ALA 134 Ca -0.02 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 221p h ALA 134 Cb 0.36 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 221p h ALA 134 CO 0.03 -0.40 -0.53 0.00 0.00 0.00 0.00 179.25 178.35 221p h ARG 135 N 0.49 0.13 0.05 0.00 3.08 -0.37 0.29 114.38 118.04 221p h ARG 135 Ca 0.49 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.46 221p h ARG 135 Cb 1.11 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.16 221p h ARG 135 CO -0.21 0.63 -0.02 0.66 -1.07 0.00 0.00 179.97 179.95 221p h SER 136 N 0.10 -0.05 -4.09 7.04 4.64 0.01 -3.39 113.55 117.81 221p h SER 136 Ca -0.00 -0.61 -0.55 0.00 -0.47 0.00 0.00 61.79 60.16 221p h SER 136 Cb 0.97 0.01 0.17 0.00 -0.31 0.00 0.00 62.40 63.25 221p h SER 136 CO 0.08 0.64 0.39 -1.22 -0.87 0.00 0.00 176.83 175.85 221p n TYR 137 N -4.78 1.51 -1.38 4.77 4.01 -0.30 -4.84 117.16 116.15 221p n TYR 137 Ca -0.08 0.41 -0.24 0.00 -0.16 0.00 0.00 57.90 57.83 221p n TYR 137 Cb 0.33 -2.18 -0.06 0.00 -0.31 0.00 0.00 39.34 37.11 221p n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 221p n GLY 138 N 0.81 4.18 3.56 2.72 0.00 -1.26 -4.73 105.19 110.47 221p n GLY 138 Ca 0.15 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 221p n GLY 138 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 221p s ILE 139 N -1.91 4.18 0.58 -0.61 1.09 0.09 -5.02 121.20 119.61 221p s ILE 139 Ca 0.57 -0.26 -0.20 0.00 -1.10 0.00 0.00 60.65 59.66 221p s ILE 139 Cb 0.36 -2.83 -0.04 0.00 -1.06 0.00 0.00 42.46 38.89 221p s ILE 139 CO -0.18 0.50 1.28 -2.16 -0.10 0.00 0.00 174.94 174.28 221p s PRO 140 N 0.17 2.99 -0.05 2.79 0.04 -1.26 -3.88 135.00 135.79 221p s PRO 140 Ca 0.00 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.12 221p s PRO 140 Cb -0.13 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 221p s PRO 140 CO 0.02 -1.25 -0.23 -0.47 0.04 0.00 0.00 177.00 175.11 221p s TYR 141 N -1.44 2.24 -0.07 0.56 5.04 -1.26 -1.45 117.35 120.96 221p s TYR 141 Ca 0.76 -0.62 -0.03 0.00 -2.44 0.00 0.00 57.07 54.74 221p s TYR 141 Cb -0.35 -1.47 0.04 0.00 0.35 0.00 0.00 41.96 40.53 221p s TYR 141 CO 0.40 -0.17 0.14 -1.50 -1.34 0.00 0.00 175.55 173.07 221p s ILE 142 N -0.20 -0.19 0.43 3.14 1.10 -0.33 -4.98 121.20 120.17 221p s ILE 142 Ca -0.01 0.32 -0.20 0.00 -0.51 0.00 0.00 60.65 60.24 221p s ILE 142 Cb -0.12 -0.26 -0.11 0.00 0.15 0.00 0.00 42.46 42.12 221p s ILE 142 CO 0.02 0.13 0.94 -1.61 -2.11 0.00 0.00 174.94 172.32 221p s GLU 143 N 1.96 4.20 0.07 3.50 2.02 -1.26 -2.56 118.70 126.63 221p s GLU 143 Ca -0.00 1.09 -0.09 0.00 0.02 0.00 0.00 54.97 55.98 221p s GLU 143 Cb -0.12 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 31.92 221p s GLU 143 CO -0.05 -0.03 0.21 0.95 0.02 0.00 0.00 175.26 176.35 221p s THR 144 N -2.20 0.13 -0.07 3.63 -4.23 -0.59 -4.49 115.64 107.81 221p s THR 144 Ca 0.61 -1.03 -0.01 0.00 -1.18 0.00 0.00 61.69 60.09 221p s THR 144 Cb -0.09 -1.17 0.03 0.00 1.34 0.00 0.00 72.50 72.61 221p s THR 144 CO 0.14 -0.57 -0.02 -0.55 -0.54 0.00 0.00 174.62 173.08 221p s SER 145 N -2.55 1.58 0.18 3.99 0.15 -0.16 -0.87 113.70 116.02 221p s SER 145 Ca 0.01 -0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.51 221p s SER 145 Cb 0.02 -0.52 0.09 0.00 -1.71 0.00 0.00 66.02 63.90 221p s SER 145 CO -0.08 -0.15 1.46 0.00 1.20 0.00 0.00 173.24 175.67 221p h ALA 146 N 8.05 0.64 0.43 5.45 0.00 -1.89 0.24 119.26 132.18 221p h ALA 146 Ca -0.25 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.07 221p h ALA 146 Cb 1.13 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 221p h ALA 146 CO 0.33 0.74 -0.50 -0.22 0.00 0.00 0.00 179.25 179.60 221p h LYS 147 N 0.30 -0.91 0.00 0.00 3.11 -1.93 -3.24 116.57 113.90 221p h LYS 147 Ca -0.02 0.06 -0.11 0.00 -2.81 0.00 0.00 60.65 57.77 221p h LYS 147 Cb 1.24 0.21 -0.02 0.00 -1.00 0.00 0.00 32.23 32.66 221p h LYS 147 CO 0.12 -0.61 -0.53 1.15 -2.81 0.00 0.00 179.45 176.77 221p h THR 148 N -0.95 0.87 0.00 1.00 2.02 -1.97 -3.45 112.91 110.42 221p h THR 148 Ca -0.05 -2.23 0.00 0.00 0.77 0.00 0.00 66.41 64.89 221p h THR 148 Cb 0.84 2.42 0.00 0.00 -1.74 0.00 0.00 68.15 69.68 221p h THR 148 CO -0.10 0.49 0.00 -1.14 0.37 0.00 0.00 175.52 175.14 221p n ARG 149 N -3.22 0.00 -1.63 6.66 0.63 0.80 -5.04 116.66 114.85 221p n ARG 149 Ca 0.02 0.00 -0.49 0.00 -0.92 0.00 0.00 57.85 56.46 221p n ARG 149 Cb 0.74 -2.49 -0.05 0.00 0.45 0.00 0.00 32.46 31.11 221p n ARG 149 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 221p n GLN 150 N -2.13 1.70 -0.88 -0.14 7.27 -1.01 -2.39 117.38 119.80 221p n GLN 150 Ca 0.00 0.61 0.00 0.00 0.07 0.00 0.00 57.00 57.68 221p n GLN 150 Cb 0.00 -2.32 0.00 0.00 2.41 0.00 0.00 30.24 30.33 221p n GLN 150 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 221p n GLY 151 N 2.97 0.00 0.12 1.69 0.00 -1.26 -0.99 105.19 107.73 221p n GLY 151 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 221p n GLY 151 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 221p h VAL 152 N 0.00 1.34 -0.33 1.61 -1.51 -1.74 -0.74 116.25 114.87 221p h VAL 152 Ca 0.00 -1.23 0.00 0.00 -1.23 0.00 0.00 66.70 64.24 221p h VAL 152 Cb 0.79 1.86 -0.02 0.00 -2.13 0.00 0.00 31.29 31.80 221p h VAL 152 CO 0.00 0.36 0.21 -0.33 -1.23 0.00 0.00 177.57 176.58 221p h GLU 153 N -0.07 0.44 -0.07 5.19 5.08 -1.90 -2.47 114.58 120.78 221p h GLU 153 Ca 0.02 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 221p h GLU 153 Cb 0.61 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 221p h GLU 153 CO 0.03 0.31 -0.42 0.22 -1.00 0.00 0.00 179.01 178.15 221p h ASP 154 N 0.44 -1.30 -0.48 1.42 3.58 -1.94 0.39 116.42 118.52 221p h ASP 154 Ca 0.12 0.17 0.08 0.00 0.42 0.00 0.00 57.03 57.82 221p h ASP 154 Cb -0.03 0.52 -0.07 0.00 1.72 0.00 0.00 39.33 41.48 221p h ASP 154 CO -0.02 -0.44 0.10 0.00 -2.88 0.00 0.00 179.24 176.00 221p h ALA 155 N 0.04 0.54 -0.46 -0.78 0.00 -0.74 -0.92 119.26 116.94 221p h ALA 155 Ca 0.06 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 221p h ALA 155 Cb 0.64 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 221p h ALA 155 CO -0.36 -0.30 -0.23 0.74 0.00 0.00 0.00 179.25 179.10 221p h PHE 156 N 0.24 1.08 0.03 0.00 0.04 -1.20 -2.59 116.94 114.56 221p h PHE 156 Ca 0.24 -0.26 -0.23 0.00 2.80 0.00 0.00 57.97 60.52 221p h PHE 156 Cb 0.31 -0.25 0.02 0.00 2.20 0.00 0.00 35.95 38.23 221p h PHE 156 CO -0.22 1.07 -0.90 1.88 -0.60 0.00 0.00 178.31 179.54 221p h TYR 157 N 0.81 0.85 -0.86 -0.55 -1.99 -0.23 -1.68 116.97 113.32 221p h TYR 157 Ca 0.10 -0.48 0.12 0.00 2.00 0.00 0.00 58.73 60.47 221p h TYR 157 Cb 0.80 -0.09 -0.06 0.00 2.00 0.00 0.00 36.73 39.38 221p h TYR 157 CO 0.05 1.32 0.56 1.15 -0.00 0.00 0.00 178.16 181.24 221p h THR 158 N 0.13 0.90 -0.27 -2.88 2.02 -1.20 0.35 112.91 111.96 221p h THR 158 Ca -0.12 -0.26 -0.16 0.00 0.77 0.00 0.00 66.41 66.64 221p h THR 158 Cb 1.59 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 221p h THR 158 CO 0.18 0.14 -0.46 0.25 0.37 0.00 0.00 175.52 175.99 221p h LEU 159 N 0.75 0.87 -0.47 2.58 5.85 -1.32 0.42 115.31 124.00 221p h LEU 159 Ca 0.42 -0.53 0.05 0.00 0.84 0.00 0.00 57.88 58.66 221p h LEU 159 Cb 0.57 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 221p h LEU 159 CO -0.18 1.23 0.22 0.58 -0.34 0.00 0.00 178.44 179.95 221p h VAL 160 N 0.54 0.93 0.00 1.05 2.07 -0.71 -1.71 116.25 118.42 221p h VAL 160 Ca 0.02 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 221p h VAL 160 Cb 1.06 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 221p h VAL 160 CO 0.10 0.08 -0.18 0.03 0.02 0.00 0.00 177.57 177.63 221p h ARG 161 N 0.43 0.00 -0.35 1.57 3.08 0.13 -1.66 114.38 117.58 221p h ARG 161 Ca 0.21 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.18 221p h ARG 161 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 221p h ARG 161 CO -0.17 0.18 -0.12 0.93 -1.07 0.00 0.00 179.97 179.72 221p h GLU 162 N 0.00 0.60 -0.08 0.04 4.39 0.70 -2.98 114.58 117.26 221p h GLU 162 Ca -0.00 -0.19 -0.14 0.00 0.34 0.00 0.00 59.36 59.37 221p h GLU 162 Cb 0.39 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 221p h GLU 162 CO 0.02 0.71 -0.59 0.82 -1.16 0.00 0.00 179.01 178.81 221p h ILE 163 N 0.55 1.38 -0.65 3.13 2.04 -0.63 -2.70 117.51 120.63 221p h ILE 163 Ca 0.10 -1.95 -0.02 0.00 1.00 0.00 0.00 64.86 63.99 221p h ILE 163 Cb 0.54 1.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 221p h ILE 163 CO 0.03 0.58 0.34 0.03 0.00 0.00 0.00 178.15 179.13 221p h ARG 164 N 0.19 0.91 0.00 2.37 3.08 -1.30 -3.27 114.38 116.37 221p h ARG 164 Ca -0.00 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.93 221p h ARG 164 Cb 1.09 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.97 221p h ARG 164 CO 0.09 0.70 0.00 1.96 -1.07 0.00 0.00 179.97 181.65 221p h GLN 165 N 0.89 0.00 0.00 0.04 1.08 -1.37 -3.52 115.11 112.23 221p h GLN 165 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 221p h GLN 165 Cb 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 221p h GLN 165 CO -0.03 0.00 0.00 1.58 -0.95 0.00 0.00 178.83 179.43