#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 521p s THR 2 N 0.00 2.04 0.06 1.12 2.01 -1.26 -4.92 115.64 114.69 521p s THR 2 Ca 0.00 0.03 -0.00 0.00 0.31 0.00 0.00 61.69 62.03 521p s THR 2 Cb 0.00 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 521p s THR 2 CO 0.00 0.00 -0.04 -1.83 -0.69 0.00 0.00 174.62 172.06 521p s GLU 3 N 0.48 0.66 -0.05 4.92 -1.05 -1.26 -2.18 118.70 120.23 521p s GLU 3 Ca 0.70 -1.23 0.01 0.00 -0.15 0.00 0.00 54.97 54.30 521p s GLU 3 Cb -0.49 0.09 0.02 0.00 -0.44 0.00 0.00 34.13 33.32 521p s GLU 3 CO 0.39 -0.08 -0.05 0.71 0.95 0.00 0.00 175.26 177.18 521p s TYR 4 N -3.75 0.81 -0.61 4.83 2.02 -0.45 -4.94 117.35 115.26 521p s TYR 4 Ca 0.07 -0.24 -0.07 0.00 -0.37 0.00 0.00 57.07 56.47 521p s TYR 4 Cb 0.07 -0.72 0.16 0.00 -0.40 0.00 0.00 41.96 41.07 521p s TYR 4 CO -0.08 -0.22 0.46 0.15 -1.57 0.00 0.00 175.55 174.30 521p s LYS 5 N 0.99 2.71 -0.19 -0.62 1.02 -1.26 -1.94 119.74 120.45 521p s LYS 5 Ca -0.10 -2.27 -0.15 0.00 0.02 0.00 0.00 55.97 53.47 521p s LYS 5 Cb -0.14 -3.91 -0.04 0.00 -0.52 0.00 0.00 37.83 33.22 521p s LYS 5 CO -0.00 -1.19 0.37 -0.51 -0.92 0.00 0.00 175.35 173.09 521p s LEU 6 N 0.44 4.18 -0.10 3.17 1.43 -1.19 -0.05 118.68 126.56 521p s LEU 6 Ca 0.14 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 521p s LEU 6 Cb -0.20 -2.48 -0.02 0.00 0.03 0.00 0.00 46.19 43.52 521p s LEU 6 CO -0.04 -0.03 -0.10 -0.69 0.23 0.00 0.00 176.35 175.73 521p s VAL 7 N 1.08 3.41 -0.38 -1.59 1.01 -0.60 -0.58 120.40 122.74 521p s VAL 7 Ca 0.18 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 521p s VAL 7 Cb -0.14 -2.41 0.07 0.00 0.00 0.00 0.00 36.38 33.90 521p s VAL 7 CO 0.07 0.56 0.18 -0.69 0.00 0.00 0.00 175.10 175.22 521p s VAL 8 N -0.26 3.81 0.50 2.92 1.01 -0.99 -1.74 120.40 125.66 521p s VAL 8 Ca 0.03 -1.44 0.06 0.00 0.00 0.00 0.00 61.98 60.62 521p s VAL 8 Cb -0.13 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.95 521p s VAL 8 CO 0.03 -0.41 0.37 0.68 0.00 0.00 0.00 175.10 175.76 521p s VAL 9 N 1.35 1.92 0.00 2.92 -7.23 -0.65 -3.09 120.40 115.63 521p s VAL 9 Ca 0.02 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 521p s VAL 9 Cb -0.22 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.30 521p s VAL 9 CO 0.01 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 521p n GLY 10 N -1.65 2.47 3.49 2.32 0.00 -1.25 -2.34 105.19 108.23 521p n GLY 10 Ca -0.01 -2.11 -0.29 0.00 0.00 0.00 0.00 46.02 43.61 521p n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 521p s ALA 11 N -2.12 -0.05 -0.03 4.61 0.00 -1.25 -2.82 121.76 120.11 521p s ALA 11 Ca 0.00 -0.63 -0.18 0.00 0.00 0.00 0.00 51.96 51.15 521p s ALA 11 Cb 0.00 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 20.05 521p s ALA 11 CO 0.00 -3.87 0.49 0.08 0.00 0.00 0.00 175.76 172.46 521p s VAL 12 N -2.65 5.01 0.00 0.00 1.01 -1.26 -3.93 120.40 118.59 521p s VAL 12 Ca 0.69 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.69 521p s VAL 12 Cb -0.16 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.40 521p s VAL 12 CO 0.59 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.76 521p n GLY 13 N 2.42 2.88 0.35 4.51 0.00 -1.26 -5.00 105.19 109.09 521p n GLY 13 Ca -0.10 -0.45 0.21 0.00 0.00 0.00 0.00 46.02 45.68 521p n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 521p h VAL 14 N 0.00 0.45 0.00 1.61 -1.51 -1.94 -3.45 116.25 111.41 521p h VAL 14 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 521p h VAL 14 Cb 0.00 -0.06 0.00 0.00 -2.13 0.00 0.00 31.29 29.10 521p h VAL 14 CO 0.00 0.08 0.00 0.61 -1.23 0.00 0.00 177.57 177.03 521p n GLY 15 N -1.33 1.29 0.13 5.19 0.00 -1.26 -4.65 105.19 104.56 521p n GLY 15 Ca 0.29 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.18 521p n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 521p h LYS 16 N 0.00 -0.22 0.00 1.61 1.57 -1.89 -2.98 116.57 114.67 521p h LYS 16 Ca 0.00 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 521p h LYS 16 Cb 0.00 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 521p h LYS 16 CO 0.00 0.16 -0.18 0.77 -0.57 0.00 0.00 179.45 179.63 521p h SER 17 N -0.65 0.00 1.14 0.86 0.02 -1.96 -2.94 113.55 110.02 521p h SER 17 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 521p h SER 17 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 521p h SER 17 CO 0.04 0.18 -0.27 0.00 -1.14 0.00 0.00 176.83 175.63 521p n ALA 18 N -2.20 2.61 -0.03 3.77 0.00 -1.22 -1.81 120.51 121.64 521p n ALA 18 Ca 0.00 -0.14 -0.20 0.00 0.00 0.00 0.00 53.44 53.10 521p n ALA 18 Cb 0.40 -1.33 -0.13 0.00 0.00 0.00 0.00 19.45 18.38 521p n ALA 18 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 521p h LEU 19 N 0.00 0.24 0.68 0.00 3.38 -1.35 -3.03 115.31 115.24 521p h LEU 19 Ca 0.00 -0.80 -0.03 0.00 0.09 0.00 0.00 57.88 57.14 521p h LEU 19 Cb 0.71 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 521p h LEU 19 CO 0.00 1.49 -0.41 0.74 0.09 0.00 0.00 178.44 180.36 521p h THR 20 N -0.56 0.18 -0.69 0.22 2.02 -1.64 -1.14 112.91 111.29 521p h THR 20 Ca -0.26 0.00 0.08 0.00 0.77 0.00 0.00 66.41 66.99 521p h THR 20 Cb 1.55 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 521p h THR 20 CO -0.01 0.00 0.46 0.40 0.37 0.00 0.00 175.52 176.74 521p h ILE 21 N -1.02 0.98 -0.70 3.11 2.04 -1.55 -1.96 117.51 118.41 521p h ILE 21 Ca -0.09 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 521p h ILE 21 Cb 0.82 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 521p h ILE 21 CO 0.10 0.12 0.27 1.56 0.00 0.00 0.00 178.15 180.20 521p h GLN 22 N 0.66 1.04 -0.06 2.37 1.08 -1.44 0.88 115.11 119.63 521p h GLN 22 Ca 0.31 -0.19 -0.10 0.00 -1.45 0.00 0.00 58.65 57.22 521p h GLN 22 Cb 0.35 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 521p h GLN 22 CO -0.10 0.87 -0.34 1.25 -0.95 0.00 0.00 178.83 179.55 521p h LEU 23 N 0.99 0.41 -0.11 1.46 5.85 -0.79 -2.01 115.31 121.11 521p h LEU 23 Ca 0.23 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 58.29 521p h LEU 23 Cb 0.21 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.12 521p h LEU 23 CO -0.02 1.01 -0.32 -0.38 -0.34 0.00 0.00 178.44 178.39 521p n ILE 24 N -4.40 0.00 0.00 4.05 5.41 -0.78 -4.41 119.36 119.23 521p n ILE 24 Ca -0.08 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.64 521p n ILE 24 Cb 0.52 0.10 0.00 0.00 -0.71 0.00 0.00 39.64 39.55 521p n ILE 24 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 521p n GLN 25 N -1.29 2.59 -3.37 0.38 7.27 0.28 -5.05 117.38 118.19 521p n GLN 25 Ca 0.08 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 56.98 521p n GLN 25 Cb 0.33 -0.23 0.07 0.00 2.41 0.00 0.00 30.24 32.83 521p n GLN 25 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 521p n ASN 26 N -0.04 -4.34 -3.63 1.69 4.13 -0.76 -4.97 115.26 107.34 521p n ASN 26 Ca 0.00 -0.69 -0.13 0.00 1.68 0.00 0.00 54.58 55.44 521p n ASN 26 Cb 0.00 -5.03 -0.06 0.00 -1.54 0.00 0.00 39.78 33.15 521p n ASN 26 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 521p s HIS 27 N -3.40 -0.33 0.17 3.10 -3.43 -1.26 -5.03 115.29 105.11 521p s HIS 27 Ca 0.24 0.32 -0.21 0.00 -0.80 0.00 0.00 55.06 54.61 521p s HIS 27 Cb -0.04 0.27 -0.08 0.00 -1.43 0.00 0.00 32.58 31.30 521p s HIS 27 CO 0.75 -0.60 0.70 0.12 -2.00 0.00 0.00 174.74 173.70 521p s PHE 28 N -2.47 3.77 -0.58 0.38 5.36 -1.26 -4.16 117.98 119.02 521p s PHE 28 Ca -0.05 1.43 -0.15 0.00 -0.96 0.00 0.00 56.93 57.21 521p s PHE 28 Cb -0.01 -2.63 0.14 0.00 -0.34 0.00 0.00 43.02 40.19 521p s PHE 28 CO -0.02 0.46 0.52 0.08 -1.46 0.00 0.00 175.22 174.80 521p s VAL 29 N -1.30 5.11 0.25 3.12 1.01 -1.26 -4.83 120.40 122.50 521p s VAL 29 Ca 0.37 -1.72 0.05 0.00 0.00 0.00 0.00 61.98 60.68 521p s VAL 29 Cb -0.19 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 521p s VAL 29 CO 0.22 -0.88 1.60 0.44 0.00 0.00 0.00 175.10 176.48 521p h ASP 30 N 8.62 0.26 -3.01 3.32 5.19 -1.98 -3.46 116.42 125.36 521p h ASP 30 Ca -0.22 -0.14 -0.54 0.00 -0.62 0.00 0.00 57.03 55.52 521p h ASP 30 Cb 1.08 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.52 521p h ASP 30 CO 0.96 0.76 0.74 -0.70 -3.12 0.00 0.00 179.24 177.88 521p s GLU 31 N -3.86 4.33 -0.38 3.56 2.56 -1.26 -4.96 118.70 118.69 521p s GLU 31 Ca -0.04 1.92 -0.31 0.00 0.00 0.00 0.00 54.97 56.54 521p s GLU 31 Cb 0.12 -3.45 -0.10 0.00 2.00 0.00 0.00 34.13 32.71 521p s GLU 31 CO 0.79 -0.47 2.28 0.98 -0.56 0.00 0.00 175.26 178.28 521p n TYR 32 N 4.73 1.60 -3.15 5.30 4.19 -1.26 -4.98 117.16 123.59 521p n TYR 32 Ca 0.12 0.14 0.05 0.00 3.31 0.00 0.00 57.90 61.51 521p n TYR 32 Cb 0.44 -2.60 -0.01 0.00 0.49 0.00 0.00 39.34 37.66 521p n TYR 32 CO 0.00 0.00 0.00 0.16 0.91 0.00 0.00 176.86 177.93 521p s ASP 33 N 8.62 -1.00 0.78 2.98 1.47 -1.26 -5.17 116.67 123.09 521p s ASP 33 Ca 1.07 0.59 -0.11 0.00 1.18 0.00 0.00 52.55 55.28 521p s ASP 33 Cb -0.62 1.82 0.07 0.00 -0.34 0.00 0.00 42.92 43.86 521p s ASP 33 CO 0.41 -0.19 1.13 -2.84 0.68 0.00 0.00 175.17 174.37 521p s PRO 34 N 2.90 2.03 0.15 2.11 0.02 -1.26 -5.07 135.00 135.87 521p s PRO 34 Ca 0.12 0.01 0.08 0.00 0.02 0.00 0.00 61.00 61.22 521p s PRO 34 Cb -0.12 -2.01 -0.04 0.00 0.02 0.00 0.00 34.50 32.34 521p s PRO 34 CO -0.17 -1.50 -0.06 0.99 -0.33 0.00 0.00 177.00 175.93 521p s THR 35 N -3.49 3.46 0.04 0.99 2.01 -1.26 -5.06 115.64 112.33 521p s THR 35 Ca 0.61 -1.42 -0.01 0.00 0.31 0.00 0.00 61.69 61.18 521p s THR 35 Cb -0.11 -2.69 -0.00 0.00 0.01 0.00 0.00 72.50 69.71 521p s THR 35 CO 0.48 -0.02 -0.03 -0.38 -0.69 0.00 0.00 174.62 173.98 521p n ILE 36 N 0.24 0.74 -3.59 1.82 -0.00 -1.26 -4.78 119.36 112.53 521p n ILE 36 Ca -0.11 0.25 -0.14 0.00 -0.00 0.00 0.00 62.75 62.74 521p n ILE 36 Cb 0.54 -1.43 -0.06 0.00 -0.00 0.00 0.00 39.64 38.68 521p n ILE 36 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 521p s GLU 37 N -1.65 0.82 -0.26 0.38 2.12 -1.26 -4.42 118.70 114.42 521p s GLU 37 Ca -0.02 0.57 -0.09 0.00 0.36 0.00 0.00 54.97 55.79 521p s GLU 37 Cb 0.00 0.39 0.12 0.00 0.26 0.00 0.00 34.13 34.90 521p s GLU 37 CO 0.03 -0.18 0.56 -0.51 -0.54 0.00 0.00 175.26 174.63 521p s ASP 38 N -0.37 -0.82 -0.18 -1.70 1.01 -0.82 -5.03 116.67 108.76 521p s ASP 38 Ca -0.03 1.35 -0.07 0.00 0.71 0.00 0.00 52.55 54.51 521p s ASP 38 Cb -0.03 1.95 -0.04 0.00 1.01 0.00 0.00 42.92 45.81 521p s ASP 38 CO 0.03 -0.22 0.06 -0.55 0.21 0.00 0.00 175.17 174.70 521p s SER 39 N 2.79 5.63 -0.09 0.27 0.15 -1.26 -1.07 113.70 120.14 521p s SER 39 Ca -0.04 0.08 0.04 0.00 0.70 0.00 0.00 55.95 56.74 521p s SER 39 Cb -0.12 -1.96 -0.01 0.00 -1.71 0.00 0.00 66.02 62.22 521p s SER 39 CO -0.17 0.17 -0.23 -0.31 1.20 0.00 0.00 173.24 173.90 521p s TYR 40 N 0.37 2.54 -0.23 3.44 1.51 -0.61 -4.99 117.35 119.37 521p s TYR 40 Ca 0.03 -0.89 0.02 0.00 -1.01 0.00 0.00 57.07 55.22 521p s TYR 40 Cb -0.12 -1.68 0.05 0.00 -0.11 0.00 0.00 41.96 40.10 521p s TYR 40 CO 0.00 -0.32 -0.11 1.03 -1.11 0.00 0.00 175.55 175.03 521p s ARG 41 N 0.14 2.22 0.02 -0.62 0.52 -1.26 -1.03 118.95 118.94 521p s ARG 41 Ca -0.12 -1.09 0.09 0.00 -0.52 0.00 0.00 55.73 54.09 521p s ARG 41 Cb -0.16 -2.67 -0.03 0.00 0.52 0.00 0.00 34.95 32.61 521p s ARG 41 CO 0.07 -0.48 -0.26 0.21 0.02 0.00 0.00 175.30 174.86 521p s LYS 42 N 1.25 1.91 -0.09 3.54 2.20 -0.15 -4.98 119.74 123.43 521p s LYS 42 Ca -0.04 -1.04 -0.24 0.00 -0.36 0.00 0.00 55.97 54.29 521p s LYS 42 Cb -0.18 -2.00 -0.03 0.00 -1.51 0.00 0.00 37.83 34.11 521p s LYS 42 CO -0.07 0.53 0.72 -1.14 -0.36 0.00 0.00 175.35 175.03 521p s GLN 43 N -1.00 4.41 0.31 4.03 -0.44 -1.26 -1.50 119.66 124.20 521p s GLN 43 Ca 0.11 0.89 0.03 0.00 -2.50 0.00 0.00 55.36 53.89 521p s GLN 43 Cb -0.10 -3.47 -0.04 0.00 -1.64 0.00 0.00 33.01 27.76 521p s GLN 43 CO 0.01 -0.01 0.14 0.54 0.50 0.00 0.00 175.29 176.48 521p s VAL 44 N 1.04 0.41 -0.10 1.34 0.11 -0.96 -5.00 120.40 117.24 521p s VAL 44 Ca 0.37 -2.00 -0.01 0.00 -2.93 0.00 0.00 61.98 57.42 521p s VAL 44 Cb -0.18 -2.53 0.03 0.00 -1.53 0.00 0.00 36.38 32.17 521p s VAL 44 CO 0.17 0.00 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.21 521p s VAL 45 N -3.59 0.77 -0.26 2.04 1.01 -1.26 -2.92 120.40 116.21 521p s VAL 45 Ca 0.35 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.21 521p s VAL 45 Cb 0.05 -0.84 0.05 0.00 0.00 0.00 0.00 36.38 35.64 521p s VAL 45 CO 0.17 0.33 -0.10 -0.63 0.00 0.00 0.00 175.10 174.87 521p s ILE 46 N 1.79 2.40 -1.18 2.22 1.01 -0.66 -4.75 121.20 122.03 521p s ILE 46 Ca 0.05 -1.42 -0.02 0.00 0.00 0.00 0.00 60.65 59.26 521p s ILE 46 Cb -0.12 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 521p s ILE 46 CO -0.07 0.06 0.94 0.47 0.00 0.00 0.00 174.94 176.35 521p n ASP 47 N 4.52 -2.87 -2.03 3.58 8.00 -1.26 -2.35 116.55 124.14 521p n ASP 47 Ca -0.15 -0.67 -0.16 0.00 0.71 0.00 0.00 54.79 54.52 521p n ASP 47 Cb 0.44 -4.98 -0.03 0.00 -0.02 0.00 0.00 41.12 36.53 521p n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 521p n GLY 48 N -1.21 0.34 3.39 0.44 0.00 -1.26 -5.01 105.19 101.88 521p n GLY 48 Ca -0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 521p n GLY 48 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 521p s GLU 49 N -4.34 2.16 -0.11 1.61 -1.05 -0.99 -5.09 118.70 110.88 521p s GLU 49 Ca 0.00 -0.91 -0.25 0.00 -0.15 0.00 0.00 54.97 53.66 521p s GLU 49 Cb 0.00 -2.15 -0.02 0.00 -0.44 0.00 0.00 34.13 31.51 521p s GLU 49 CO 0.00 0.57 0.79 0.95 0.95 0.00 0.00 175.26 178.52 521p s THR 50 N -0.74 4.94 0.20 1.83 -4.23 -1.26 -1.65 115.64 114.73 521p s THR 50 Ca 0.12 1.60 -0.03 0.00 -1.18 0.00 0.00 61.69 62.19 521p s THR 50 Cb -0.10 -4.12 -0.03 0.00 1.34 0.00 0.00 72.50 69.59 521p s THR 50 CO 0.01 0.13 0.19 0.00 -0.54 0.00 0.00 174.62 174.41 521p s LEU 52 N -3.13 1.81 -0.19 0.00 2.96 -0.92 -2.25 118.68 116.95 521p s LEU 52 Ca 0.35 -0.54 -0.29 0.00 -0.22 0.00 0.00 54.13 53.43 521p s LEU 52 Cb 0.06 -1.25 -0.00 0.00 0.50 0.00 0.00 46.19 45.49 521p s LEU 52 CO 0.11 -0.05 1.13 -0.76 -1.32 0.00 0.00 176.35 175.46 521p s LEU 53 N 1.44 4.15 -0.63 -0.68 1.02 -0.56 -1.34 118.68 122.08 521p s LEU 53 Ca 0.05 1.52 0.05 0.00 0.02 0.00 0.00 54.13 55.77 521p s LEU 53 Cb -0.13 -3.54 0.17 0.00 0.02 0.00 0.00 46.19 42.71 521p s LEU 53 CO -0.11 -0.69 0.45 -0.62 0.02 0.00 0.00 176.35 175.40 521p s ASP 54 N 1.50 4.02 0.27 2.29 2.15 -0.82 -0.98 116.67 125.11 521p s ASP 54 Ca 0.49 -3.63 -0.24 0.00 0.43 0.00 0.00 52.55 49.60 521p s ASP 54 Cb -0.18 -1.35 -0.09 0.00 -0.30 0.00 0.00 42.92 41.00 521p s ASP 54 CO 0.11 -0.11 0.86 -0.63 -0.17 0.00 0.00 175.17 175.22 521p s ILE 55 N -1.04 4.32 -0.39 4.11 1.01 -0.20 -3.16 121.20 125.85 521p s ILE 55 Ca 0.26 1.67 0.01 0.00 0.00 0.00 0.00 60.65 62.59 521p s ILE 55 Cb -0.04 -4.00 0.12 0.00 0.01 0.00 0.00 42.46 38.56 521p s ILE 55 CO -0.16 0.23 0.19 -0.22 0.00 0.00 0.00 174.94 174.97 521p s LEU 56 N -1.87 2.52 0.03 2.97 2.96 0.25 -1.58 118.68 123.95 521p s LEU 56 Ca 0.46 -2.29 -0.30 0.00 -0.22 0.00 0.00 54.13 51.77 521p s LEU 56 Cb -0.19 -0.96 -0.07 0.00 0.50 0.00 0.00 46.19 45.47 521p s LEU 56 CO 0.24 -0.32 1.55 -0.62 -1.32 0.00 0.00 176.35 175.88 521p s ASP 57 N 0.79 6.71 0.00 3.68 2.15 -0.23 -2.34 116.67 127.43 521p s ASP 57 Ca 0.15 2.30 0.00 0.00 0.43 0.00 0.00 52.55 55.44 521p s ASP 57 Cb -0.22 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.84 521p s ASP 57 CO -0.07 -0.82 0.00 0.35 -0.17 0.00 0.00 175.17 174.46 521p n THR 58 N 4.77 0.00 -3.73 1.71 -2.24 -1.18 -1.94 114.28 111.67 521p n THR 58 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 521p n THR 58 Cb 0.42 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 521p n THR 58 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 521p n THR 59 N 0.00 0.00 0.00 4.28 -2.24 -1.26 -4.85 114.28 110.20 521p n THR 59 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 521p n THR 59 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 521p n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 521p n GLY 60 N 1.83 0.91 1.11 3.38 0.00 -1.13 -3.94 105.19 107.36 521p n GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 521p n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 521p n GLN 61 N -0.25 0.00 0.00 1.61 10.64 -1.26 -4.78 117.38 123.34 521p n GLN 61 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 521p n GLN 61 Cb 0.00 -0.35 0.00 0.00 -0.86 0.00 0.00 30.24 29.03 521p n GLN 61 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 521p n GLU 62 N -3.25 1.08 -0.15 2.61 0.28 -1.26 -4.25 120.64 115.70 521p n GLU 62 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.04 521p n GLU 62 Cb 0.00 0.00 0.11 0.00 1.43 0.00 0.00 31.44 32.98 521p n GLU 62 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 521p n GLU 63 N 0.00 1.68 -2.53 3.44 2.13 -1.26 -4.50 120.64 119.61 521p n GLU 63 Ca 0.00 -0.92 -0.41 0.00 0.66 0.00 0.00 57.16 56.50 521p n GLU 63 Cb 0.00 -1.28 -0.02 0.00 0.27 0.00 0.00 31.44 30.41 521p n GLU 63 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 521p s TYR 64 N -1.66 2.56 0.00 4.31 2.02 -1.26 -4.67 117.35 118.66 521p s TYR 64 Ca 0.17 -0.99 0.00 0.00 -0.37 0.00 0.00 57.07 55.87 521p s TYR 64 Cb 0.09 -4.67 0.00 0.00 -0.40 0.00 0.00 41.96 36.99 521p s TYR 64 CO 0.10 -1.86 0.00 0.43 -1.57 0.00 0.00 175.55 172.65 521p n SER 65 N 9.16 0.00 -0.16 2.29 7.64 -1.26 -4.66 113.62 126.63 521p n SER 65 Ca 0.39 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.27 521p n SER 65 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 521p n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 521p n ALA 66 N -3.00 2.41 0.05 -0.43 0.00 -1.26 -2.93 120.51 115.35 521p n ALA 66 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 521p n ALA 66 Cb 0.00 -1.00 0.18 0.00 0.00 0.00 0.00 19.45 18.63 521p n ALA 66 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 521p n MET 67 N -0.33 0.04 -0.26 0.00 2.00 -1.26 -2.04 117.12 115.26 521p n MET 67 Ca 0.00 0.53 -0.05 0.00 0.00 0.00 0.00 57.70 58.18 521p n MET 67 Cb 0.07 -1.66 0.06 0.00 0.00 0.00 0.00 33.22 31.69 521p n MET 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 521p h ARG 68 N 0.00 0.96 -1.28 0.03 3.08 -1.80 -3.32 114.38 112.05 521p h ARG 68 Ca 0.00 -0.07 0.40 0.00 0.07 0.00 0.00 59.98 60.38 521p h ARG 68 Cb 0.05 -0.21 -0.11 0.00 0.08 0.00 0.00 29.97 29.78 521p h ARG 68 CO 0.00 0.65 0.84 -0.44 -1.07 0.00 0.00 179.97 179.95 521p h ASP 69 N 0.98 0.26 -0.29 7.04 5.19 -1.69 -2.70 116.42 125.22 521p h ASP 69 Ca 0.26 0.11 -0.02 0.00 -0.62 0.00 0.00 57.03 56.76 521p h ASP 69 Cb -0.09 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 521p h ASP 69 CO -0.05 -0.10 0.12 -0.61 -3.12 0.00 0.00 179.24 175.47 521p h GLN 70 N 0.15 0.44 -0.10 3.56 4.15 -1.79 -2.39 115.11 119.12 521p h GLN 70 Ca 0.76 -0.08 -0.15 0.00 0.77 0.00 0.00 58.65 59.95 521p h GLN 70 Cb 2.37 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 29.98 521p h GLN 70 CO -0.34 0.46 -0.57 0.10 -1.93 0.00 0.00 178.83 176.55 521p h TYR 71 N 0.32 0.41 -0.21 3.99 -0.00 -1.72 -3.16 116.97 116.60 521p h TYR 71 Ca 0.10 -0.15 -0.09 0.00 0.00 0.00 0.00 58.73 58.59 521p h TYR 71 Cb 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 36.73 36.83 521p h TYR 71 CO -0.01 0.81 -0.25 0.52 -0.00 0.00 0.00 178.16 179.24 521p h MET 72 N 0.25 0.39 -0.62 0.10 2.86 -1.44 -2.47 114.93 114.00 521p h MET 72 Ca 0.00 -0.14 0.06 0.00 -2.06 0.00 0.00 59.70 57.56 521p h MET 72 Cb 1.07 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.65 521p h MET 72 CO 0.09 0.62 0.32 0.00 1.06 0.00 0.00 176.91 179.00 521p h ARG 73 N 0.35 0.57 0.00 1.72 3.08 -1.39 -3.12 114.38 115.59 521p h ARG 73 Ca 0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.07 521p h ARG 73 Cb 0.64 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.56 521p h ARG 73 CO 0.05 0.38 -0.55 0.25 -1.07 0.00 0.00 179.97 179.03 521p n THR 74 N -4.85 0.26 -2.46 2.04 -2.24 -1.14 -4.85 114.28 101.04 521p n THR 74 Ca 0.07 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.23 521p n THR 74 Cb 0.18 -0.07 -0.02 0.00 -2.10 0.00 0.00 70.33 68.32 521p n THR 74 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 521p s GLY 75 N -3.47 1.77 0.29 3.38 0.00 -0.94 -4.91 107.32 103.44 521p s GLY 75 Ca 0.08 0.47 0.05 0.00 0.00 0.00 0.00 44.72 45.32 521p s GLY 75 CO 0.70 2.39 1.72 0.83 0.00 0.00 0.00 173.10 178.74 521p h GLU 76 N 7.94 0.32 -2.88 2.90 5.08 -0.79 -3.46 114.58 123.69 521p h GLU 76 Ca -0.28 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 57.81 521p h GLU 76 Cb 1.11 -0.01 -0.25 0.00 0.50 0.00 0.00 28.75 30.10 521p h GLU 76 CO 0.95 0.63 -0.31 0.20 -1.00 0.00 0.00 179.01 179.47 521p s GLY 77 N -4.14 -0.26 -0.11 -3.84 0.00 -1.07 -4.50 107.32 93.39 521p s GLY 77 Ca -0.05 1.03 -0.01 0.00 0.00 0.00 0.00 44.72 45.69 521p s GLY 77 CO 0.78 0.94 -0.07 -1.36 0.00 0.00 0.00 173.10 173.39 521p s PHE 78 N 0.33 2.95 -0.41 1.90 0.08 -1.01 -1.56 117.98 120.28 521p s PHE 78 Ca -0.01 -0.21 -0.15 0.00 0.12 0.00 0.00 56.93 56.68 521p s PHE 78 Cb -0.03 -1.83 0.02 0.00 -0.57 0.00 0.00 43.02 40.60 521p s PHE 78 CO -0.01 0.10 0.31 -0.51 -0.10 0.00 0.00 175.22 175.02 521p s LEU 79 N -0.17 5.03 -0.39 -0.37 1.43 -0.71 -2.89 118.68 120.61 521p s LEU 79 Ca 0.02 -0.83 -0.21 0.00 -1.03 0.00 0.00 54.13 52.08 521p s LEU 79 Cb -0.13 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 43.92 521p s LEU 79 CO 0.03 -0.45 0.67 0.00 0.23 0.00 0.00 176.35 176.83 521p s VAL 81 N 2.85 4.21 0.30 0.00 1.01 -0.99 -0.96 120.40 126.82 521p s VAL 81 Ca 0.25 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.06 521p s VAL 81 Cb -0.14 -2.83 -0.06 0.00 0.00 0.00 0.00 36.38 33.35 521p s VAL 81 CO 0.17 0.52 -0.09 0.72 0.00 0.00 0.00 175.10 176.43 521p s PHE 82 N -0.05 2.12 -0.11 5.22 -0.12 -0.63 -3.74 117.98 120.67 521p s PHE 82 Ca 0.03 -0.59 -0.02 0.00 -0.05 0.00 0.00 56.93 56.31 521p s PHE 82 Cb -0.13 -1.17 -0.03 0.00 -0.63 0.00 0.00 43.02 41.06 521p s PHE 82 CO 0.02 0.43 -0.04 0.00 -0.05 0.00 0.00 175.22 175.58 521p s ALA 83 N -2.83 3.08 -1.26 1.99 0.00 -1.26 -1.05 121.76 120.43 521p s ALA 83 Ca 0.30 -0.84 0.18 0.00 0.00 0.00 0.00 51.96 51.60 521p s ALA 83 Cb 0.02 -1.42 0.85 0.00 0.00 0.00 0.00 23.12 22.57 521p s ALA 83 CO 0.13 0.44 1.56 0.44 0.00 0.00 0.00 175.76 178.33 521p n ILE 84 N 2.68 0.59 -0.78 0.00 -6.64 -0.45 -1.99 119.36 112.78 521p n ILE 84 Ca -0.18 0.15 0.08 0.00 -1.77 0.00 0.00 62.75 61.03 521p n ILE 84 Cb 0.53 -0.85 0.22 0.00 -1.44 0.00 0.00 39.64 38.10 521p n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.77 0.00 0.00 176.55 174.32 521p n ASN 85 N -1.37 3.48 -3.58 7.28 0.23 -1.26 -1.55 115.26 118.48 521p n ASN 85 Ca 0.07 -2.76 -0.29 0.00 -0.53 0.00 0.00 54.58 51.07 521p n ASN 85 Cb 0.17 -0.45 -0.12 0.00 -2.08 0.00 0.00 39.78 37.30 521p n ASN 85 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 521p s ASN 86 N -1.77 3.05 0.29 0.53 3.84 -0.84 -4.74 114.94 115.30 521p s ASN 86 Ca 0.36 -2.70 0.03 0.00 0.21 0.00 0.00 52.86 50.76 521p s ASN 86 Cb 0.28 -0.76 0.74 0.00 -0.55 0.00 0.00 41.25 40.95 521p s ASN 86 CO 0.10 -0.24 1.65 0.74 -2.79 0.00 0.00 177.10 176.55 521p h THR 87 N 4.97 0.31 -0.20 -5.21 2.02 -1.87 -2.35 112.91 110.57 521p h THR 87 Ca 0.09 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 521p h THR 87 Cb 0.92 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 521p h THR 87 CO 0.41 0.04 0.09 0.50 0.37 0.00 0.00 175.52 176.93 521p h LYS 88 N 0.21 0.29 -0.91 6.66 3.11 -1.95 -2.93 116.57 121.06 521p h LYS 88 Ca 0.57 -0.05 0.21 0.00 -2.81 0.00 0.00 60.65 58.57 521p h LYS 88 Cb 1.16 -0.05 -0.07 0.00 -1.00 0.00 0.00 32.23 32.27 521p h LYS 88 CO -0.65 0.33 0.60 0.66 -2.81 0.00 0.00 179.45 177.58 521p h SER 89 N 0.18 0.40 0.32 4.20 4.64 -1.76 0.43 113.55 121.96 521p h SER 89 Ca 0.07 0.04 -0.14 0.00 -0.47 0.00 0.00 61.79 61.29 521p h SER 89 Cb 0.14 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 521p h SER 89 CO -0.01 0.16 -0.57 0.15 -0.87 0.00 0.00 176.83 175.69 521p h PHE 90 N 0.40 0.32 0.08 4.77 3.57 -1.50 -3.30 116.94 121.28 521p h PHE 90 Ca 0.47 -0.12 -0.26 0.00 3.53 0.00 0.00 57.97 61.60 521p h PHE 90 Cb 1.20 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 521p h PHE 90 CO -0.00 0.76 -1.22 0.93 -2.23 0.00 0.00 178.31 176.55 521p h GLU 91 N 0.19 0.17 0.00 1.11 5.08 -0.83 -2.95 114.58 117.36 521p h GLU 91 Ca -0.00 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 521p h GLU 91 Cb 1.06 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.42 521p h GLU 91 CO 0.09 1.11 0.00 -0.25 -1.00 0.00 0.00 179.01 178.96 521p n ASP 92 N -3.45 0.00 0.29 1.42 8.00 -0.62 -3.23 116.55 118.97 521p n ASP 92 Ca -0.07 -0.89 0.17 0.00 0.71 0.00 0.00 54.79 54.71 521p n ASP 92 Cb 1.00 0.00 0.90 0.00 -0.02 0.00 0.00 41.12 43.00 521p n ASP 92 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 521p h ILE 93 N 0.00 0.28 -0.04 0.53 1.08 -1.60 -3.01 117.51 114.75 521p h ILE 93 Ca 0.00 -0.30 -0.01 0.00 -0.39 0.00 0.00 64.86 64.16 521p h ILE 93 Cb 0.00 1.23 -0.00 0.00 -3.07 0.00 0.00 36.82 34.98 521p h ILE 93 CO 0.00 0.04 -0.01 -0.74 -0.69 0.00 0.00 178.15 176.76 521p h HIS 94 N 0.00 0.09 -0.74 1.37 2.76 -1.78 -1.84 115.15 115.01 521p h HIS 94 Ca -0.00 -0.02 0.21 0.00 -2.20 0.00 0.00 60.37 58.36 521p h HIS 94 Cb 0.22 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.13 521p h HIS 94 CO 0.00 0.42 0.53 0.37 -1.30 0.00 0.00 177.93 177.95 521p h GLN 95 N -0.26 0.04 0.05 5.26 -0.00 -1.75 0.38 115.11 118.83 521p h GLN 95 Ca 0.01 -0.00 -0.30 0.00 -0.00 0.00 0.00 58.65 58.36 521p h GLN 95 Cb 0.39 -0.01 -0.03 0.00 0.00 0.00 0.00 27.48 27.83 521p h GLN 95 CO 0.00 0.03 -1.66 1.88 0.00 0.00 0.00 178.83 179.08 521p h TYR 96 N 0.04 0.21 0.00 3.99 -1.99 -1.49 -3.23 116.97 114.50 521p h TYR 96 Ca 0.35 -0.15 -0.02 0.00 2.00 0.00 0.00 58.73 60.91 521p h TYR 96 Cb 1.35 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 40.07 521p h TYR 96 CO -0.00 1.25 -0.10 -0.09 -0.00 0.00 0.00 178.16 179.22 521p h ARG 97 N 0.03 0.00 0.01 4.88 2.43 -0.43 -1.50 114.38 119.80 521p h ARG 97 Ca -0.28 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.89 521p h ARG 97 Cb 2.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.55 521p h ARG 97 CO 0.11 0.10 -0.00 0.93 -1.51 0.00 0.00 179.97 179.59 521p h GLU 98 N 0.00 -0.01 0.00 0.20 4.39 -1.07 -2.71 114.58 115.39 521p h GLU 98 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 521p h GLU 98 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 521p h GLU 98 CO 0.01 0.83 0.00 0.00 -1.16 0.00 0.00 179.01 178.69 521p n GLN 99 N -4.65 0.20 0.17 2.33 10.64 -1.22 -1.52 117.38 123.32 521p n GLN 99 Ca -0.09 0.27 0.03 0.00 -1.83 0.00 0.00 57.00 55.39 521p n GLN 99 Cb 0.40 -1.78 0.28 0.00 -0.86 0.00 0.00 30.24 28.28 521p n GLN 99 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 521p h ILE 100 N 0.00 1.07 0.00 -0.39 2.04 -1.30 -2.57 117.51 116.36 521p h ILE 100 Ca 0.00 -1.71 -0.13 0.00 1.00 0.00 0.00 64.86 64.02 521p h ILE 100 Cb 0.55 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 521p h ILE 100 CO 0.00 0.44 -0.71 0.11 0.00 0.00 0.00 178.15 178.00 521p h LYS 101 N 0.00 0.00 0.04 2.37 1.57 -0.93 -2.71 116.57 116.91 521p h LYS 101 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 521p h LYS 101 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 521p h LYS 101 CO 0.06 0.55 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.38 521p h ARG 102 N 0.00 -0.06 0.00 3.15 2.43 -1.24 -2.15 114.38 116.52 521p h ARG 102 Ca -0.03 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.01 521p h ARG 102 Cb 1.47 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.02 521p h ARG 102 CO 0.07 0.47 -0.62 -0.39 -1.51 0.00 0.00 179.97 177.99 521p h VAL 103 N -0.62 1.29 -0.00 0.20 -1.51 -1.60 -3.23 116.25 110.78 521p h VAL 103 Ca -0.01 -2.25 0.00 0.00 -1.23 0.00 0.00 66.70 63.21 521p h VAL 103 Cb 0.55 2.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.98 521p h VAL 103 CO 0.01 0.61 -0.13 0.29 -1.23 0.00 0.00 177.57 177.12 521p n LYS 104 N -3.57 0.51 -4.05 5.19 4.76 -1.02 -4.77 118.16 115.20 521p n LYS 104 Ca -0.00 -0.16 -0.29 0.00 -2.87 0.00 0.00 58.31 54.99 521p n LYS 104 Cb 0.67 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 32.29 521p n LYS 104 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 521p n ASP 105 N -1.10 0.10 -3.61 4.39 8.00 -0.81 -4.97 116.55 118.54 521p n ASP 105 Ca 0.13 -1.10 -0.15 0.00 0.71 0.00 0.00 54.79 54.38 521p n ASP 105 Cb 0.29 -1.36 -0.07 0.00 -0.02 0.00 0.00 41.12 39.96 521p n ASP 105 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 521p s SER 106 N -4.11 -0.72 0.43 -2.24 1.04 -1.19 -5.05 113.70 101.85 521p s SER 106 Ca 0.07 1.29 0.23 0.00 0.48 0.00 0.00 55.95 58.02 521p s SER 106 Cb -0.04 1.27 0.46 0.00 0.10 0.00 0.00 66.02 67.81 521p s SER 106 CO 0.85 -0.32 1.65 0.44 0.98 0.00 0.00 173.24 176.84 521p h ASP 107 N 4.57 0.00 -3.71 7.02 5.19 -1.93 -3.41 116.42 124.14 521p h ASP 107 Ca -0.29 0.00 -0.69 0.00 -0.62 0.00 0.00 57.03 55.44 521p h ASP 107 Cb 1.16 0.00 -0.30 0.00 0.18 0.00 0.00 39.33 40.36 521p h ASP 107 CO 0.12 0.08 -0.65 -0.62 -3.12 0.00 0.00 179.24 175.05 521p s ASP 108 N -6.18 5.09 0.03 6.45 2.15 -1.26 -5.04 116.67 117.91 521p s ASP 108 Ca 0.06 -1.17 0.05 0.00 0.43 0.00 0.00 52.55 51.91 521p s ASP 108 Cb 0.06 -1.79 -0.02 0.00 -0.30 0.00 0.00 42.92 40.87 521p s ASP 108 CO 0.66 -0.29 -0.15 -0.69 -0.17 0.00 0.00 175.17 174.53 521p s VAL 109 N 1.34 1.20 -0.01 1.11 1.01 -1.26 -5.11 120.40 118.68 521p s VAL 109 Ca -0.03 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 521p s VAL 109 Cb -0.19 -1.07 -0.06 0.00 0.00 0.00 0.00 36.38 35.06 521p s VAL 109 CO 0.01 0.09 1.55 -2.16 0.00 0.00 0.00 175.10 174.59 521p s PRO 110 N -1.01 4.22 0.22 2.72 0.04 -1.26 -4.98 135.00 134.95 521p s PRO 110 Ca 0.03 2.12 -0.07 0.00 0.04 0.00 0.00 61.00 63.12 521p s PRO 110 Cb -0.08 -3.74 -0.02 0.00 0.04 0.00 0.00 34.50 30.71 521p s PRO 110 CO 0.01 -0.72 0.30 -1.64 0.04 0.00 0.00 177.00 174.99 521p s MET 111 N 3.10 1.35 -0.14 4.56 -1.94 -1.26 -2.39 119.30 122.58 521p s MET 111 Ca 0.69 -1.43 -0.09 0.00 -1.71 0.00 0.00 55.69 53.16 521p s MET 111 Cb -0.34 0.37 0.05 0.00 2.01 0.00 0.00 34.83 36.92 521p s MET 111 CO 0.28 -0.50 0.33 0.08 -0.01 0.00 0.00 175.02 175.20 521p s VAL 112 N -4.08 -0.02 0.02 -6.03 1.01 -1.14 -4.43 120.40 105.73 521p s VAL 112 Ca 0.30 0.08 -0.19 0.00 0.00 0.00 0.00 61.98 62.17 521p s VAL 112 Cb 0.03 -0.49 -0.06 0.00 0.00 0.00 0.00 36.38 35.86 521p s VAL 112 CO 0.10 0.03 0.55 -0.22 0.00 0.00 0.00 175.10 175.56 521p s LEU 113 N 0.99 4.47 -0.18 3.92 2.96 -0.77 -1.00 118.68 129.06 521p s LEU 113 Ca -0.07 1.16 -0.01 0.00 -0.22 0.00 0.00 54.13 54.99 521p s LEU 113 Cb -0.07 -2.85 0.05 0.00 0.50 0.00 0.00 46.19 43.82 521p s LEU 113 CO -0.07 0.20 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.45 521p s VAL 114 N -0.67 0.93 -0.76 1.68 1.01 -0.13 -2.29 120.40 120.17 521p s VAL 114 Ca 0.29 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 521p s VAL 114 Cb -0.18 -1.25 0.16 0.00 0.00 0.00 0.00 36.38 35.11 521p s VAL 114 CO 0.17 -0.04 0.81 -0.83 0.00 0.00 0.00 175.10 175.21 521p s GLY 115 N 1.69 2.20 0.61 4.51 0.00 -0.88 -1.60 107.32 113.86 521p s GLY 115 Ca -0.01 -2.83 -0.09 0.00 0.00 0.00 0.00 44.72 41.79 521p s GLY 115 CO -0.07 1.51 0.98 0.21 0.00 0.00 0.00 173.10 175.73 521p s ASN 116 N 3.03 5.92 0.00 1.64 2.47 -0.22 -2.37 114.94 125.42 521p s ASN 116 Ca 0.18 1.14 0.00 0.00 0.42 0.00 0.00 52.86 54.60 521p s ASN 116 Cb -0.15 -2.16 0.00 0.00 -1.45 0.00 0.00 41.25 37.50 521p s ASN 116 CO -0.04 -0.97 0.00 0.29 -3.72 0.00 0.00 177.10 172.66 521p n LYS 117 N -2.70 0.00 0.00 0.43 5.02 -0.62 -1.34 118.16 118.95 521p n LYS 117 Ca 0.05 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.40 521p n LYS 117 Cb 0.56 -3.33 0.26 0.00 -0.02 0.00 0.00 35.03 32.49 521p n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 521p n ASP 119 N -1.37 0.00 -4.85 0.00 5.68 -1.26 -4.89 116.55 109.86 521p n ASP 119 Ca 0.04 -0.08 -0.36 0.00 -0.50 0.00 0.00 54.79 53.90 521p n ASP 119 Cb 0.10 -0.29 -0.06 0.00 -1.14 0.00 0.00 41.12 39.74 521p n ASP 119 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 521p s LEU 120 N -2.58 4.38 -0.76 -2.12 1.43 -0.81 -5.00 118.68 113.22 521p s LEU 120 Ca 0.25 0.97 0.02 0.00 -1.03 0.00 0.00 54.13 54.34 521p s LEU 120 Cb 0.18 -3.03 0.34 0.00 0.03 0.00 0.00 46.19 43.71 521p s LEU 120 CO 0.40 0.18 1.42 0.00 0.23 0.00 0.00 176.35 178.58 521p n ALA 121 N 1.07 5.46 -2.65 4.21 0.00 -1.26 -4.13 120.51 123.21 521p n ALA 121 Ca -0.08 -4.56 -0.07 0.00 0.00 0.00 0.00 53.44 48.72 521p n ALA 121 Cb 0.52 -1.40 0.04 0.00 0.00 0.00 0.00 19.45 18.61 521p n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 521p n ALA 122 N -0.24 3.30 -1.73 0.00 0.00 -1.26 -5.09 120.51 115.50 521p n ALA 122 Ca 0.40 -3.09 -0.40 0.00 0.00 0.00 0.00 53.44 50.36 521p n ALA 122 Cb 0.35 -0.78 0.03 0.00 0.00 0.00 0.00 19.45 19.05 521p n ALA 122 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 521p n ARG 123 N -0.50 1.87 0.00 0.00 0.63 -1.26 -4.46 116.66 112.94 521p n ARG 123 Ca 0.15 0.67 0.00 0.00 -0.92 0.00 0.00 57.85 57.76 521p n ARG 123 Cb 0.82 -2.52 0.00 0.00 0.45 0.00 0.00 32.46 31.22 521p n ARG 123 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 521p n THR 124 N -0.63 0.00 -3.77 5.15 -2.24 -0.60 -4.94 114.28 107.26 521p n THR 124 Ca 0.08 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.49 521p n THR 124 Cb 0.42 0.21 -0.12 0.00 -2.10 0.00 0.00 70.33 68.75 521p n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 521p s VAL 125 N -1.06 3.39 0.81 2.28 1.01 -0.98 -4.86 120.40 120.98 521p s VAL 125 Ca 0.00 -1.87 -0.14 0.00 0.00 0.00 0.00 61.98 59.97 521p s VAL 125 Cb 0.00 -3.24 0.06 0.00 0.00 0.00 0.00 36.38 33.20 521p s VAL 125 CO 0.00 -0.59 1.00 -0.62 0.00 0.00 0.00 175.10 174.90 521p n GLU 126 N 4.65 0.14 -0.14 2.72 4.71 -1.26 -4.91 120.64 126.54 521p n GLU 126 Ca -0.05 0.11 -0.11 0.00 -0.01 0.00 0.00 57.16 57.11 521p n GLU 126 Cb 0.42 -2.27 -0.01 0.00 -1.01 0.00 0.00 31.44 28.56 521p n GLU 126 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 521p h SER 127 N -0.91 0.78 -0.91 1.62 0.02 -1.99 -2.98 113.55 109.17 521p h SER 127 Ca -0.46 -0.35 0.22 0.00 -0.84 0.00 0.00 61.79 60.36 521p h SER 127 Cb 1.30 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.57 521p h SER 127 CO 0.44 0.94 0.61 -0.09 -1.14 0.00 0.00 176.83 177.59 521p h ARG 128 N 0.60 0.33 0.00 3.45 9.65 -1.98 -0.12 114.38 126.31 521p h ARG 128 Ca 0.11 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 58.88 521p h ARG 128 Cb 0.59 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.08 521p h ARG 128 CO 0.03 0.22 -1.43 0.00 2.80 0.00 0.00 179.97 181.59 521p n GLN 129 N -4.48 0.63 0.17 0.20 10.64 -1.18 -2.56 117.38 120.80 521p n GLN 129 Ca 0.20 0.09 0.12 0.00 -1.83 0.00 0.00 57.00 55.57 521p n GLN 129 Cb 0.75 -1.74 0.10 0.00 -0.86 0.00 0.00 30.24 28.49 521p n GLN 129 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 521p h ALA 130 N 1.73 0.79 0.00 2.61 0.00 -1.25 -2.66 119.26 120.48 521p h ALA 130 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 521p h ALA 130 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 521p h ALA 130 CO 0.02 0.00 -0.75 0.37 0.00 0.00 0.00 179.25 178.89 521p h GLN 131 N 0.00 0.00 0.02 0.00 5.75 -1.10 -2.94 115.11 116.84 521p h GLN 131 Ca 0.00 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.24 521p h GLN 131 Cb 1.00 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.51 521p h GLN 131 CO 0.00 0.00 -1.41 -0.44 -2.65 0.00 0.00 178.83 174.33 521p h ASP 132 N 0.00 0.07 -0.35 -0.69 3.32 -1.56 -3.07 116.42 114.15 521p h ASP 132 Ca 0.00 -0.11 -0.13 0.00 0.02 0.00 0.00 57.03 56.81 521p h ASP 132 Cb 0.96 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 521p h ASP 132 CO 0.00 1.09 -0.30 0.25 -1.72 0.00 0.00 179.24 178.56 521p h LEU 133 N 0.01 0.87 -0.35 1.55 5.85 -1.54 -2.85 115.31 118.85 521p h LEU 133 Ca -0.17 -0.46 -0.04 0.00 0.84 0.00 0.00 57.88 58.05 521p h LEU 133 Cb 1.92 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 521p h LEU 133 CO 0.11 1.14 0.07 0.00 -0.34 0.00 0.00 178.44 179.42 521p h ALA 134 N 0.75 0.46 0.00 1.25 0.00 -1.66 -2.44 119.26 117.62 521p h ALA 134 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.77 521p h ALA 134 Cb 0.88 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.54 521p h ALA 134 CO 0.08 0.15 0.00 2.89 0.00 0.00 0.00 179.25 182.37 521p n ARG 135 N -4.59 0.64 0.07 0.00 1.85 -1.16 -1.50 116.66 111.97 521p n ARG 135 Ca -0.02 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.72 521p n ARG 135 Cb 0.21 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.10 521p n ARG 135 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 521p h SER 136 N 0.00 0.42 0.20 2.89 0.87 -1.21 -3.18 113.55 113.53 521p h SER 136 Ca 0.00 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 521p h SER 136 Cb 0.18 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 521p h SER 136 CO 0.00 1.12 -0.13 -1.22 -0.53 0.00 0.00 176.83 176.07 521p n TYR 137 N -3.73 0.00 -1.49 2.24 4.01 -0.96 -4.93 117.16 112.31 521p n TYR 137 Ca -0.05 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.59 521p n TYR 137 Cb 0.81 -0.10 -0.03 0.00 -0.31 0.00 0.00 39.34 39.70 521p n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 521p n GLY 138 N 1.26 0.87 3.57 2.72 0.00 -1.14 -5.04 105.19 107.43 521p n GLY 138 Ca 0.15 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 521p n GLY 138 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 521p s ILE 139 N -2.40 3.16 0.78 -0.61 1.09 -0.57 -5.02 121.20 117.65 521p s ILE 139 Ca 0.00 -1.74 -0.15 0.00 -1.10 0.00 0.00 60.65 57.66 521p s ILE 139 Cb 0.00 -2.59 0.03 0.00 -1.06 0.00 0.00 42.46 38.84 521p s ILE 139 CO 0.00 -0.16 0.88 -2.65 -0.10 0.00 0.00 174.94 172.91 521p n PRO 140 N -0.12 0.25 -3.70 2.79 -0.02 -1.26 -4.07 135.00 128.87 521p n PRO 140 Ca -0.10 0.14 -0.21 0.00 -2.02 0.00 0.00 63.50 61.31 521p n PRO 140 Cb 0.56 -2.16 -0.18 0.00 -0.02 0.00 0.00 33.50 31.70 521p n PRO 140 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 521p s TYR 141 N -2.02 0.25 -0.02 6.00 5.04 -1.26 -1.85 117.35 123.49 521p s TYR 141 Ca 0.69 0.11 0.06 0.00 -2.44 0.00 0.00 57.07 55.50 521p s TYR 141 Cb -0.31 -0.59 -0.01 0.00 0.35 0.00 0.00 41.96 41.40 521p s TYR 141 CO 0.54 -0.24 -0.21 -1.50 -1.34 0.00 0.00 175.55 172.80 521p s ILE 142 N 2.11 1.68 -0.13 3.14 -1.16 -0.97 -5.01 121.20 120.87 521p s ILE 142 Ca 0.05 -0.90 -0.02 0.00 -0.51 0.00 0.00 60.65 59.27 521p s ILE 142 Cb -0.12 -1.40 -0.03 0.00 0.61 0.00 0.00 42.46 41.52 521p s ILE 142 CO -0.04 0.48 -0.06 -1.61 -2.81 0.00 0.00 174.94 170.90 521p s GLU 143 N -0.43 3.36 0.24 3.50 2.02 -1.26 -2.07 118.70 124.06 521p s GLU 143 Ca 0.06 -0.55 0.04 0.00 0.02 0.00 0.00 54.97 54.54 521p s GLU 143 Cb -0.09 -2.78 -0.05 0.00 0.10 0.00 0.00 34.13 31.31 521p s GLU 143 CO -0.00 0.37 -0.00 0.95 0.02 0.00 0.00 175.26 176.59 521p s THR 144 N -0.00 1.06 -0.14 3.63 -4.23 -1.00 -4.40 115.64 110.56 521p s THR 144 Ca -0.00 -2.04 -0.05 0.00 -1.18 0.00 0.00 61.69 58.43 521p s THR 144 Cb -0.13 -2.36 0.07 0.00 1.34 0.00 0.00 72.50 71.41 521p s THR 144 CO 0.03 -0.31 0.26 -0.55 -0.54 0.00 0.00 174.62 173.50 521p s SER 145 N -3.32 0.46 0.08 3.99 0.15 0.53 -1.59 113.70 114.01 521p s SER 145 Ca 0.29 0.49 0.11 0.00 0.70 0.00 0.00 55.95 57.54 521p s SER 145 Cb 0.06 0.67 -0.17 0.00 -1.71 0.00 0.00 66.02 64.87 521p s SER 145 CO 0.09 -0.25 1.05 0.00 1.20 0.00 0.00 173.24 175.33 521p h ALA 146 N 8.29 0.57 -0.47 5.45 0.00 -1.86 0.29 119.26 131.53 521p h ALA 146 Ca -0.14 -1.02 -0.04 0.00 0.00 0.00 0.00 54.91 53.71 521p h ALA 146 Cb 1.12 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 521p h ALA 146 CO 0.15 1.23 0.12 -0.22 0.00 0.00 0.00 179.25 180.53 521p h LYS 147 N 0.00 0.75 0.00 0.00 1.63 -1.96 -3.35 116.57 113.64 521p h LYS 147 Ca -0.12 -0.18 -0.15 0.00 -0.85 0.00 0.00 60.65 59.35 521p h LYS 147 Cb 1.77 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 33.27 521p h LYS 147 CO 0.09 0.73 -1.55 2.41 -3.45 0.00 0.00 179.45 177.69 521p n THR 148 N -4.49 1.02 -0.86 1.00 -1.04 -1.26 -4.78 114.28 103.87 521p n THR 148 Ca 0.01 -0.67 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 521p n THR 148 Cb 0.21 -0.58 0.00 0.00 -1.82 0.00 0.00 70.33 68.14 521p n THR 148 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 521p n ARG 149 N -2.78 -0.24 -2.61 -2.82 0.63 0.08 -5.02 116.66 103.90 521p n ARG 149 Ca -0.11 0.06 -0.41 0.00 -0.92 0.00 0.00 57.85 56.48 521p n ARG 149 Cb 0.82 -3.43 -0.05 0.00 0.45 0.00 0.00 32.46 30.25 521p n ARG 149 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 521p s GLN 150 N -0.51 4.69 0.00 -0.14 -2.07 -1.13 -2.92 119.66 117.58 521p s GLN 150 Ca 0.00 1.62 0.00 0.00 -1.82 0.00 0.00 55.36 55.16 521p s GLN 150 Cb 0.00 -3.29 0.00 0.00 -1.09 0.00 0.00 33.01 28.63 521p s GLN 150 CO 0.00 0.23 0.00 0.41 -1.32 0.00 0.00 175.29 174.61 521p n GLY 151 N 1.83 2.96 0.41 2.60 0.00 -1.26 -0.35 105.19 111.38 521p n GLY 151 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 521p n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 521p h VAL 152 N 0.00 0.00 0.00 1.61 2.07 -1.77 -1.29 116.25 116.87 521p h VAL 152 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 521p h VAL 152 Cb 0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 521p h VAL 152 CO 0.00 0.00 -0.22 -0.33 0.02 0.00 0.00 177.57 177.04 521p h GLU 153 N -0.92 0.00 0.15 1.57 5.08 -1.93 -2.22 114.58 116.31 521p h GLU 153 Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 521p h GLU 153 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 521p h GLU 153 CO 0.05 0.22 -0.07 -0.44 -1.00 0.00 0.00 179.01 177.76 521p h ASP 154 N 0.00 -0.17 0.22 1.42 5.19 -1.91 -1.86 116.42 119.32 521p h ASP 154 Ca -0.00 -0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.38 521p h ASP 154 Cb 0.56 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 521p h ASP 154 CO 0.03 -0.08 -0.16 0.00 -3.12 0.00 0.00 179.24 175.91 521p h ALA 155 N 0.61 -0.36 -0.21 3.45 0.00 -0.60 -1.40 119.26 120.75 521p h ALA 155 Ca -0.02 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 521p h ALA 155 Cb 0.18 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 521p h ALA 155 CO 0.03 -0.72 -0.32 0.74 0.00 0.00 0.00 179.25 178.99 521p h PHE 156 N -0.38 0.50 0.21 0.00 0.04 -1.60 -2.27 116.94 113.43 521p h PHE 156 Ca -0.02 -0.12 -0.27 0.00 2.80 0.00 0.00 57.97 60.36 521p h PHE 156 Cb 0.33 -0.12 0.03 0.00 2.20 0.00 0.00 35.95 38.39 521p h PHE 156 CO -0.10 0.71 -1.19 1.88 -0.60 0.00 0.00 178.31 179.00 521p h TYR 157 N 0.37 0.80 -0.52 -0.55 0.05 -1.23 -2.73 116.97 113.15 521p h TYR 157 Ca 0.05 -0.58 0.08 0.00 0.05 0.00 0.00 58.73 58.32 521p h TYR 157 Cb 0.75 -0.03 -0.06 0.00 1.01 0.00 0.00 36.73 38.39 521p h TYR 157 CO 0.02 1.46 0.18 1.15 -1.05 0.00 0.00 178.16 179.92 521p h THR 158 N -0.08 0.80 0.23 -2.88 2.02 -1.16 -1.00 112.91 110.85 521p h THR 158 Ca -0.21 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 521p h THR 158 Cb 1.94 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 521p h THR 158 CO 0.22 0.06 -0.11 0.25 0.37 0.00 0.00 175.52 176.32 521p h LEU 159 N 0.35 -0.27 -0.80 2.58 5.85 -1.48 -2.22 115.31 119.33 521p h LEU 159 Ca 0.26 0.00 0.16 0.00 0.84 0.00 0.00 57.88 59.14 521p h LEU 159 Cb 0.29 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.29 521p h LEU 159 CO -0.27 -0.18 0.31 0.58 -0.34 0.00 0.00 178.44 178.54 521p h VAL 160 N -0.32 0.59 -0.29 1.05 2.07 -1.04 -0.86 116.25 117.45 521p h VAL 160 Ca -0.03 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 521p h VAL 160 Cb 0.25 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 521p h VAL 160 CO 0.05 0.08 -0.23 0.03 0.02 0.00 0.00 177.57 177.52 521p h ARG 161 N 0.42 0.55 -0.33 1.57 3.08 -0.84 -1.24 114.38 117.59 521p h ARG 161 Ca 0.46 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.26 521p h ARG 161 Cb 0.75 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 521p h ARG 161 CO -0.45 0.74 0.04 0.93 -1.07 0.00 0.00 179.97 180.15 521p h GLU 162 N 0.49 0.49 -0.08 0.04 4.39 -0.59 -1.20 114.58 118.13 521p h GLU 162 Ca 0.07 -0.09 -0.20 0.00 0.34 0.00 0.00 59.36 59.48 521p h GLU 162 Cb 0.66 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 521p h GLU 162 CO 0.05 0.49 -0.78 0.82 -1.16 0.00 0.00 179.01 178.43 521p h ILE 163 N 0.48 1.36 -0.60 3.13 2.04 -0.44 -3.22 117.51 120.26 521p h ILE 163 Ca 0.11 -2.17 -0.05 0.00 1.00 0.00 0.00 64.86 63.75 521p h ILE 163 Cb 0.26 2.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 521p h ILE 163 CO 0.00 0.66 0.17 0.03 0.00 0.00 0.00 178.15 179.01 521p h ARG 164 N 0.31 0.92 -0.65 2.37 3.08 -0.49 -2.99 114.38 116.93 521p h ARG 164 Ca -0.04 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.82 521p h ARG 164 Cb 1.38 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.29 521p h ARG 164 CO 0.14 0.80 0.00 1.04 -1.07 0.00 0.00 179.97 180.88 521p n GLN 165 N -4.27 3.58 0.00 0.04 6.02 -0.73 -5.11 117.38 116.90 521p n GLN 165 Ca 0.05 -2.37 0.15 0.00 -0.01 0.00 0.00 57.00 54.82 521p n GLN 165 Cb 0.22 -1.92 0.79 0.00 1.02 0.00 0.00 30.24 30.35 521p n GLN 165 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63