#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 121p s THR 2 N 0.00 2.39 -0.01 3.17 2.01 -1.26 -4.86 115.64 117.08 121p s THR 2 Ca 0.00 0.30 0.05 0.00 0.31 0.00 0.00 61.69 62.35 121p s THR 2 Cb 0.00 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 121p s THR 2 CO 0.00 0.03 -0.14 -1.61 -0.69 0.00 0.00 174.62 172.21 121p s GLU 3 N 0.50 2.36 -0.17 4.92 2.02 -1.26 -0.82 118.70 126.25 121p s GLU 3 Ca 0.67 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.87 121p s GLU 3 Cb -0.45 -2.33 0.01 0.00 0.10 0.00 0.00 34.13 31.45 121p s GLU 3 CO 0.37 0.59 -0.17 0.71 0.02 0.00 0.00 175.26 176.79 121p s TYR 4 N -0.84 2.78 -0.51 1.61 2.02 0.76 -4.94 117.35 118.24 121p s TYR 4 Ca 0.13 -1.30 -0.17 0.00 -0.37 0.00 0.00 57.07 55.36 121p s TYR 4 Cb -0.11 -1.91 0.08 0.00 -0.40 0.00 0.00 41.96 39.62 121p s TYR 4 CO 0.03 -0.63 0.54 0.21 -1.57 0.00 0.00 175.55 174.13 121p s LYS 5 N 1.06 3.05 0.02 -0.62 2.36 -1.26 -1.26 119.74 123.09 121p s LYS 5 Ca -0.01 -1.20 0.01 0.00 -2.55 0.00 0.00 55.97 52.23 121p s LYS 5 Cb -0.14 -4.15 -0.04 0.00 -1.05 0.00 0.00 37.83 32.44 121p s LYS 5 CO -0.05 -1.20 0.06 -0.51 1.55 0.00 0.00 175.35 175.19 121p s LEU 6 N 2.18 3.75 -0.06 5.43 1.43 0.02 -0.45 118.68 130.98 121p s LEU 6 Ca 0.09 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 121p s LEU 6 Cb -0.23 -2.26 0.01 0.00 0.03 0.00 0.00 46.19 43.75 121p s LEU 6 CO 0.08 0.24 -0.10 -0.69 0.23 0.00 0.00 176.35 176.11 121p s VAL 7 N -1.22 0.99 -0.25 -1.59 1.01 -0.49 -0.78 120.40 118.06 121p s VAL 7 Ca 0.24 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 121p s VAL 7 Cb -0.12 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 121p s VAL 7 CO 0.15 0.32 0.10 -0.69 0.00 0.00 0.00 175.10 174.99 121p s VAL 8 N 0.68 4.63 0.19 2.92 1.01 -0.44 -0.98 120.40 128.41 121p s VAL 8 Ca -0.13 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 61.82 121p s VAL 8 Cb -0.15 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 121p s VAL 8 CO 0.03 0.32 -0.04 0.68 0.00 0.00 0.00 175.10 176.09 121p s VAL 9 N 1.57 1.00 0.00 2.92 -7.23 -0.62 -3.08 120.40 114.96 121p s VAL 9 Ca 0.06 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 121p s VAL 9 Cb -0.15 -2.12 0.00 0.00 0.56 0.00 0.00 36.38 34.67 121p s VAL 9 CO 0.06 -0.51 0.00 0.61 -0.31 0.00 0.00 175.10 174.95 121p n GLY 10 N -0.30 3.18 3.62 2.32 0.00 -1.26 -1.29 105.19 111.46 121p n GLY 10 Ca -0.07 -1.41 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 121p n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 121p n ALA 11 N -1.62 -1.25 -1.74 4.61 0.00 -1.26 -4.28 120.51 114.96 121p n ALA 11 Ca 0.00 -0.66 -0.42 0.00 0.00 0.00 0.00 53.44 52.36 121p n ALA 11 Cb 0.00 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 17.28 121p n ALA 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 121p s GLY 12 N -2.56 1.29 0.00 0.00 0.00 -1.26 -3.05 107.32 101.73 121p s GLY 12 Ca 0.67 1.51 0.00 0.00 0.00 0.00 0.00 44.72 46.90 121p s GLY 12 CO 0.60 2.96 0.00 0.61 0.00 0.00 0.00 173.10 177.27 121p n GLY 13 N 4.06 0.70 0.11 0.20 0.00 -1.26 -4.95 105.19 104.05 121p n GLY 13 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 121p n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 121p n VAL 14 N -2.52 0.64 0.00 1.61 0.24 -1.17 -4.91 118.33 112.22 121p n VAL 14 Ca 0.00 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 121p n VAL 14 Cb 0.00 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 31.66 121p n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 121p n GLY 15 N 1.04 1.66 0.14 7.63 0.00 -1.26 -4.58 105.19 109.83 121p n GLY 15 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 121p n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 121p h LYS 16 N 0.00 0.00 -0.28 1.61 1.57 -1.91 -0.24 116.57 117.32 121p h LYS 16 Ca 0.00 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 121p h LYS 16 Cb 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 121p h LYS 16 CO 0.00 0.00 -0.12 0.77 -0.57 0.00 0.00 179.45 179.53 121p h SER 17 N 0.00 0.59 -0.66 0.86 0.02 -1.95 -2.34 113.55 110.06 121p h SER 17 Ca 0.15 -0.40 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 121p h SER 17 Cb 0.23 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 121p h SER 17 CO -0.33 0.86 0.38 0.00 -1.14 0.00 0.00 176.83 176.60 121p h ALA 18 N 0.75 1.40 0.20 3.77 0.00 -1.83 0.32 119.26 123.87 121p h ALA 18 Ca 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 121p h ALA 18 Cb 0.63 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.14 121p h ALA 18 CO 0.04 0.50 -0.09 -0.07 0.00 0.00 0.00 179.25 179.63 121p h LEU 19 N 0.94 -0.22 -0.87 0.00 3.38 -0.93 -1.19 115.31 116.41 121p h LEU 19 Ca 0.24 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.12 121p h LEU 19 Cb 0.00 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 121p h LEU 19 CO -0.04 -0.04 0.57 0.74 0.09 0.00 0.00 178.44 179.76 121p h THR 20 N -0.40 1.23 -0.03 0.22 2.02 -0.98 -1.77 112.91 113.20 121p h THR 20 Ca -0.03 -0.42 -0.13 0.00 0.77 0.00 0.00 66.41 66.60 121p h THR 20 Cb 0.31 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 121p h THR 20 CO 0.04 0.22 -0.59 0.40 0.37 0.00 0.00 175.52 175.96 121p h ILE 21 N 1.18 1.41 -0.27 3.11 2.04 -0.90 0.12 117.51 124.20 121p h ILE 21 Ca 0.32 -2.00 0.02 0.00 1.00 0.00 0.00 64.86 64.20 121p h ILE 21 Cb -0.13 2.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 121p h ILE 21 CO -0.07 0.58 0.12 1.56 0.00 0.00 0.00 178.15 180.34 121p h GLN 22 N 0.09 0.25 0.18 2.37 1.08 -0.83 1.00 115.11 119.24 121p h GLN 22 Ca -0.01 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 121p h GLN 22 Cb 1.07 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 121p h GLN 22 CO 0.08 0.17 -0.09 1.25 -0.95 0.00 0.00 178.83 179.29 121p h LEU 23 N 0.26 -0.21 0.16 1.46 5.85 -0.88 -1.17 115.31 120.79 121p h LEU 23 Ca 0.12 -0.12 -0.21 0.00 0.84 0.00 0.00 57.88 58.51 121p h LEU 23 Cb 0.06 0.05 0.02 0.00 0.37 0.00 0.00 40.66 41.17 121p h LEU 23 CO -0.10 -0.01 -0.92 0.40 -0.34 0.00 0.00 178.44 177.47 121p h ILE 24 N -0.40 1.48 -0.27 4.05 1.08 -0.62 -3.38 117.51 119.46 121p h ILE 24 Ca -0.02 -2.57 0.00 0.00 -0.39 0.00 0.00 64.86 61.88 121p h ILE 24 Cb 0.31 3.18 0.00 0.00 -3.07 0.00 0.00 36.82 37.24 121p h ILE 24 CO 0.04 0.73 0.00 0.00 -0.69 0.00 0.00 178.15 178.23 121p n GLN 25 N -4.06 2.19 -4.02 2.37 6.02 0.34 -5.01 117.38 115.21 121p n GLN 25 Ca -0.14 -1.83 -0.30 0.00 -0.01 0.00 0.00 57.00 54.72 121p n GLN 25 Cb 0.87 -1.27 -0.01 0.00 1.02 0.00 0.00 30.24 30.85 121p n GLN 25 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 121p n ASN 26 N 0.63 -2.69 -3.70 1.08 5.15 -0.44 -4.95 115.26 110.34 121p n ASN 26 Ca 0.11 -0.93 -0.13 0.00 -0.60 0.00 0.00 54.58 53.03 121p n ASN 26 Cb 0.40 -3.25 -0.07 0.00 -0.53 0.00 0.00 39.78 36.32 121p n ASN 26 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 121p s HIS 27 N -3.51 -0.22 -0.28 1.20 -3.43 -1.25 -4.99 115.29 102.81 121p s HIS 27 Ca 0.45 0.19 -0.24 0.00 -0.80 0.00 0.00 55.06 54.66 121p s HIS 27 Cb -0.24 0.17 -0.00 0.00 -1.43 0.00 0.00 32.58 31.08 121p s HIS 27 CO 0.88 -0.52 0.81 0.12 -2.00 0.00 0.00 174.74 174.03 121p s PHE 28 N -2.26 3.25 -0.16 0.38 5.36 -1.26 -3.71 117.98 119.59 121p s PHE 28 Ca -0.07 0.96 -0.21 0.00 -0.96 0.00 0.00 56.93 56.64 121p s PHE 28 Cb -0.02 -3.15 -0.03 0.00 -0.34 0.00 0.00 43.02 39.48 121p s PHE 28 CO -0.01 -0.50 0.65 0.14 -1.46 0.00 0.00 175.22 174.04 121p s VAL 29 N 2.92 5.03 -0.58 3.12 -7.23 -1.26 -4.99 120.40 117.41 121p s VAL 29 Ca 0.34 1.26 0.06 0.00 -1.81 0.00 0.00 61.98 61.82 121p s VAL 29 Cb -0.15 -3.97 0.22 0.00 0.56 0.00 0.00 36.38 33.04 121p s VAL 29 CO 0.10 0.16 0.58 -0.67 -0.31 0.00 0.00 175.10 174.96 121p n ASP 30 N 4.61 2.26 -3.75 4.85 2.03 -1.26 -4.88 116.55 120.41 121p n ASP 30 Ca -0.01 -3.08 -0.09 0.00 0.52 0.00 0.00 54.79 52.12 121p n ASP 30 Cb 0.50 -0.67 -0.03 0.00 -0.72 0.00 0.00 41.12 40.20 121p n ASP 30 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 121p s GLU 31 N -1.60 1.58 -0.32 -0.67 -1.05 -1.26 -5.12 118.70 110.26 121p s GLU 31 Ca 0.34 -0.87 -0.21 0.00 -0.15 0.00 0.00 54.97 54.09 121p s GLU 31 Cb 0.09 0.58 -0.00 0.00 -0.44 0.00 0.00 34.13 34.35 121p s GLU 31 CO -0.10 -0.70 0.64 -0.47 0.95 0.00 0.00 175.26 175.58 121p s TYR 32 N -3.88 3.19 -0.50 4.83 6.14 -1.26 -4.94 117.35 120.93 121p s TYR 32 Ca 0.09 0.52 0.06 0.00 0.64 0.00 0.00 57.07 58.39 121p s TYR 32 Cb -0.04 -3.06 0.21 0.00 0.42 0.00 0.00 41.96 39.50 121p s TYR 32 CO 0.01 -0.53 0.76 -3.47 0.64 0.00 0.00 175.55 172.95 121p n ASP 33 N 5.96 -2.91 -4.70 4.32 2.03 -1.26 -5.14 116.55 114.86 121p n ASP 33 Ca -0.01 -3.02 -0.44 0.00 0.52 0.00 0.00 54.79 51.84 121p n ASP 33 Cb 0.49 1.54 -0.02 0.00 -0.72 0.00 0.00 41.12 42.40 121p n ASP 33 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 121p n PRO 34 N 2.37 2.26 -3.25 -0.67 -0.02 -1.26 -4.97 135.00 129.46 121p n PRO 34 Ca 0.15 0.80 -0.36 0.00 -2.02 0.00 0.00 63.50 62.08 121p n PRO 34 Cb 0.58 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 121p n PRO 34 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 121p s THR 35 N -0.12 4.74 0.00 3.45 2.01 -1.26 -4.99 115.64 119.47 121p s THR 35 Ca 0.66 1.00 0.00 0.00 0.31 0.00 0.00 61.69 63.66 121p s THR 35 Cb -0.59 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.14 121p s THR 35 CO 0.50 0.22 0.00 -0.38 -0.69 0.00 0.00 174.62 174.27 121p n ILE 36 N 0.74 0.00 -3.64 1.82 -0.00 -1.26 -4.13 119.36 112.89 121p n ILE 36 Ca -0.04 0.44 -0.06 0.00 -0.00 0.00 0.00 62.75 63.10 121p n ILE 36 Cb 0.52 -1.42 -0.06 0.00 -0.00 0.00 0.00 39.64 38.67 121p n ILE 36 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 121p s GLU 37 N -0.89 0.67 0.04 0.38 2.12 -1.26 -2.89 118.70 116.88 121p s GLU 37 Ca 0.00 1.27 0.04 0.00 0.36 0.00 0.00 54.97 56.65 121p s GLU 37 Cb 0.00 0.31 -0.02 0.00 0.26 0.00 0.00 34.13 34.68 121p s GLU 37 CO 0.00 -0.16 -0.12 -0.51 -0.54 0.00 0.00 175.26 173.93 121p s ASP 38 N 1.92 1.45 -0.05 -1.70 1.01 -0.55 -5.00 116.67 113.75 121p s ASP 38 Ca -0.09 -0.48 0.04 0.00 0.71 0.00 0.00 52.55 52.72 121p s ASP 38 Cb -0.07 -0.07 -0.03 0.00 1.01 0.00 0.00 42.92 43.77 121p s ASP 38 CO -0.20 -0.03 -0.15 -0.44 0.21 0.00 0.00 175.17 174.57 121p s SER 39 N -1.28 4.00 -0.01 0.27 0.01 -1.26 -0.14 113.70 115.30 121p s SER 39 Ca -0.01 -0.20 0.03 0.00 1.31 0.00 0.00 55.95 57.07 121p s SER 39 Cb -0.08 -0.83 -0.00 0.00 0.21 0.00 0.00 66.02 65.31 121p s SER 39 CO 0.01 0.35 -0.09 -0.31 0.41 0.00 0.00 173.24 173.61 121p s TYR 40 N -0.73 0.85 -0.04 2.43 2.02 0.11 -4.99 117.35 117.00 121p s TYR 40 Ca 0.11 -0.17 0.04 0.00 -0.37 0.00 0.00 57.07 56.68 121p s TYR 40 Cb -0.11 -0.57 -0.00 0.00 -0.40 0.00 0.00 41.96 40.89 121p s TYR 40 CO 0.00 -0.04 -0.15 1.03 -1.57 0.00 0.00 175.55 174.82 121p s ARG 41 N -0.11 1.64 -0.18 -0.62 0.52 -1.26 -0.09 118.95 118.86 121p s ARG 41 Ca 0.02 -0.55 -0.12 0.00 -0.52 0.00 0.00 55.73 54.56 121p s ARG 41 Cb -0.05 -1.43 0.06 0.00 0.52 0.00 0.00 34.95 34.04 121p s ARG 41 CO -0.00 0.21 0.44 0.21 0.02 0.00 0.00 175.30 176.18 121p s LYS 42 N 0.10 0.46 -0.08 3.54 2.20 -0.42 -4.99 119.74 120.54 121p s LYS 42 Ca -0.04 0.77 -0.27 0.00 -0.36 0.00 0.00 55.97 56.06 121p s LYS 42 Cb -0.11 0.08 -0.02 0.00 -1.51 0.00 0.00 37.83 36.27 121p s LYS 42 CO 0.02 -0.13 0.89 -0.65 -0.36 0.00 0.00 175.35 175.12 121p s GLN 43 N 1.03 4.43 0.25 4.03 -0.21 -1.26 -0.87 119.66 127.06 121p s GLN 43 Ca -0.06 1.19 0.02 0.00 0.02 0.00 0.00 55.36 56.52 121p s GLN 43 Cb -0.06 -3.51 -0.04 0.00 1.00 0.00 0.00 33.01 30.40 121p s GLN 43 CO -0.09 -0.16 0.15 0.14 -2.12 0.00 0.00 175.29 173.21 121p s VAL 44 N 1.51 0.18 -0.20 1.09 -7.23 0.87 -4.98 120.40 111.63 121p s VAL 44 Ca 0.44 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.63 121p s VAL 44 Cb -0.18 -2.53 0.04 0.00 0.56 0.00 0.00 36.38 34.27 121p s VAL 44 CO 0.19 0.00 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.16 121p s VAL 45 N -3.86 1.84 -0.15 1.32 1.01 -1.26 -0.33 120.40 118.97 121p s VAL 45 Ca 0.38 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 61.29 121p s VAL 45 Cb 0.06 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.60 121p s VAL 45 CO 0.16 0.24 -0.17 -0.63 0.00 0.00 0.00 175.10 174.70 121p s ILE 46 N 1.32 2.51 -1.51 2.22 1.01 0.05 -4.70 121.20 122.11 121p s ILE 46 Ca -0.01 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.79 121p s ILE 46 Cb -0.16 -2.05 0.02 0.00 0.01 0.00 0.00 42.46 40.29 121p s ILE 46 CO -0.09 0.52 0.30 0.47 0.00 0.00 0.00 174.94 176.14 121p n ASP 47 N 4.06 -0.14 0.00 3.58 8.00 -1.26 -0.72 116.55 130.07 121p n ASP 47 Ca -0.19 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.19 121p n ASP 47 Cb 0.52 -2.42 0.00 0.00 -0.02 0.00 0.00 41.12 39.20 121p n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 121p n GLY 48 N -2.13 2.75 3.70 0.44 0.00 -1.26 -5.00 105.19 103.70 121p n GLY 48 Ca -0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 121p n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 121p s GLU 49 N 0.00 4.29 -0.03 1.61 2.12 0.11 -5.04 118.70 121.75 121p s GLU 49 Ca 0.00 0.44 -0.30 0.00 0.36 0.00 0.00 54.97 55.47 121p s GLU 49 Cb 0.00 -3.48 -0.03 0.00 0.26 0.00 0.00 34.13 30.88 121p s GLU 49 CO 0.00 0.05 1.10 -0.08 -0.54 0.00 0.00 175.26 175.78 121p s THR 50 N 0.98 4.50 0.23 -1.70 -1.32 -1.26 -0.77 115.64 116.30 121p s THR 50 Ca 0.25 1.79 -0.12 0.00 -1.21 0.00 0.00 61.69 62.41 121p s THR 50 Cb -0.15 -4.15 -0.01 0.00 -1.51 0.00 0.00 72.50 66.68 121p s THR 50 CO 0.10 0.06 0.43 0.00 -2.21 0.00 0.00 174.62 173.00 121p s LEU 52 N -3.01 2.62 -0.34 0.00 2.96 -0.00 -0.09 118.68 120.81 121p s LEU 52 Ca 0.22 -0.43 -0.21 0.00 -0.22 0.00 0.00 54.13 53.50 121p s LEU 52 Cb 0.01 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 45.08 121p s LEU 52 CO 0.07 0.07 0.65 -0.76 -1.32 0.00 0.00 176.35 175.06 121p s LEU 53 N 0.93 4.21 -0.39 -0.68 1.02 -0.05 -0.17 118.68 123.55 121p s LEU 53 Ca -0.02 0.25 -0.05 0.00 0.02 0.00 0.00 54.13 54.32 121p s LEU 53 Cb -0.15 -2.82 0.09 0.00 0.02 0.00 0.00 46.19 43.33 121p s LEU 53 CO -0.01 -0.58 0.18 -0.62 0.02 0.00 0.00 176.35 175.35 121p s ASP 54 N 1.75 5.33 -0.16 2.29 -1.08 -0.39 -1.31 116.67 123.10 121p s ASP 54 Ca 0.25 -1.67 -0.04 0.00 -0.52 0.00 0.00 52.55 50.58 121p s ASP 54 Cb -0.14 -1.87 -0.03 0.00 -1.46 0.00 0.00 42.92 39.42 121p s ASP 54 CO 0.14 -0.48 -0.03 -0.63 0.52 0.00 0.00 175.17 174.69 121p s ILE 55 N 1.28 3.91 -0.22 4.11 1.01 0.87 -0.80 121.20 131.37 121p s ILE 55 Ca 0.03 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.28 121p s ILE 55 Cb -0.22 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 121p s ILE 55 CO -0.01 0.48 0.03 -0.22 0.00 0.00 0.00 174.94 175.22 121p s LEU 56 N 0.44 3.34 -0.28 2.97 2.96 0.03 -0.71 118.68 127.44 121p s LEU 56 Ca -0.03 -0.20 -0.11 0.00 -0.22 0.00 0.00 54.13 53.57 121p s LEU 56 Cb -0.14 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 121p s LEU 56 CO 0.03 0.03 0.19 -0.62 -1.32 0.00 0.00 176.35 174.65 121p s ASP 57 N 1.21 5.98 0.40 3.68 2.15 0.81 -1.32 116.67 129.58 121p s ASP 57 Ca 0.04 -0.02 0.08 0.00 0.43 0.00 0.00 52.55 53.07 121p s ASP 57 Cb -0.14 -2.11 -0.03 0.00 -0.30 0.00 0.00 42.92 40.34 121p s ASP 57 CO 0.02 -0.05 0.33 0.42 -0.17 0.00 0.00 175.17 175.72 121p s THR 58 N 1.75 2.76 0.31 1.71 -4.23 -1.18 -1.48 115.64 115.29 121p s THR 58 Ca 0.07 -1.40 -0.28 0.00 -1.18 0.00 0.00 61.69 58.90 121p s THR 58 Cb -0.16 -3.02 -0.09 0.00 1.34 0.00 0.00 72.50 70.56 121p s THR 58 CO 0.11 -0.03 1.02 0.00 -0.54 0.00 0.00 174.62 175.17 121p s ALA 59 N -2.46 3.27 0.11 3.99 0.00 -1.14 -4.77 121.76 120.76 121p s ALA 59 Ca 0.46 0.71 0.13 0.00 0.00 0.00 0.00 51.96 53.26 121p s ALA 59 Cb -0.03 -3.26 0.25 0.00 0.00 0.00 0.00 23.12 20.08 121p s ALA 59 CO 0.27 -0.02 1.53 0.78 0.00 0.00 0.00 175.76 178.31 121p h GLY 60 N 3.44 0.00 -1.31 0.00 0.00 -1.81 -3.46 103.07 99.94 121p h GLY 60 Ca -0.47 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.35 121p h GLY 60 CO 0.66 0.00 0.32 1.20 0.00 0.00 0.00 176.54 178.72 121p s GLN 61 N -3.24 2.30 0.25 4.80 -1.52 -1.26 -4.10 119.66 116.88 121p s GLN 61 Ca 0.01 1.12 0.13 0.00 -1.95 0.00 0.00 55.36 54.67 121p s GLN 61 Cb 0.10 -1.90 0.13 0.00 -0.22 0.00 0.00 33.01 31.12 121p s GLN 61 CO 0.75 -1.60 1.47 1.49 -0.25 0.00 0.00 175.29 177.14 121p h GLU 62 N -1.10 0.00 -6.07 2.91 4.22 -2.02 -3.46 114.58 109.05 121p h GLU 62 Ca -0.44 0.00 -0.72 0.00 0.08 0.00 0.00 59.36 58.29 121p h GLU 62 Cb 1.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 121p h GLU 62 CO 0.52 0.64 1.15 0.39 -2.18 0.00 0.00 179.01 179.53 121p n GLU 63 N -3.38 1.02 -2.19 1.92 4.71 -1.26 -1.47 120.64 119.98 121p n GLU 63 Ca 0.01 0.33 -0.05 0.00 -0.01 0.00 0.00 57.16 57.44 121p n GLU 63 Cb 0.74 -2.18 0.02 0.00 -1.01 0.00 0.00 31.44 29.02 121p n GLU 63 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 121p n TYR 64 N 7.33 -0.76 -0.14 -0.32 4.01 -1.26 -4.89 117.16 121.14 121p n TYR 64 Ca 0.35 0.28 0.13 0.00 -0.16 0.00 0.00 57.90 58.51 121p n TYR 64 Cb 0.15 -3.01 0.49 0.00 -0.31 0.00 0.00 39.34 36.66 121p n TYR 64 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 121p h SER 65 N -0.43 0.41 0.61 7.72 0.02 -1.60 1.17 113.55 121.45 121p h SER 65 Ca -0.19 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 121p h SER 65 Cb 1.10 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.57 121p h SER 65 CO 0.15 0.23 0.00 0.00 -1.14 0.00 0.00 176.83 176.07 121p h ALA 66 N 1.66 1.00 0.00 3.77 0.00 -1.92 -1.69 119.26 122.07 121p h ALA 66 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 121p h ALA 66 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 121p h ALA 66 CO -0.10 0.00 0.00 -0.12 0.00 0.00 0.00 179.25 179.03 121p n MET 67 N -2.52 0.71 0.08 0.00 0.00 0.40 -1.94 117.12 113.86 121p n MET 67 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.62 121p n MET 67 Cb 0.20 -1.50 -0.07 0.00 0.00 0.00 0.00 33.22 31.85 121p n MET 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 121p h ARG 68 N 0.00 0.14 -0.99 2.12 2.47 -1.25 -3.32 114.38 113.55 121p h ARG 68 Ca 0.00 -0.20 0.21 0.00 -1.26 0.00 0.00 59.98 58.73 121p h ARG 68 Cb 0.13 0.07 -0.10 0.00 -1.65 0.00 0.00 29.97 28.42 121p h ARG 68 CO 0.00 1.02 0.62 -0.44 0.56 0.00 0.00 179.97 181.72 121p h ASP 69 N 0.06 0.67 -0.32 7.04 5.19 -1.51 0.11 116.42 127.66 121p h ASP 69 Ca -0.05 0.09 -0.05 0.00 -0.62 0.00 0.00 57.03 56.40 121p h ASP 69 Cb 1.69 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 41.16 121p h ASP 69 CO 0.15 0.22 0.00 -0.61 -3.12 0.00 0.00 179.24 175.88 121p h GLN 70 N 0.64 0.57 0.00 3.56 4.15 -1.72 0.52 115.11 122.84 121p h GLN 70 Ca 0.57 -0.18 -0.06 0.00 0.77 0.00 0.00 58.65 59.75 121p h GLN 70 Cb 1.05 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.68 121p h GLN 70 CO -0.35 0.70 -0.34 0.10 -1.93 0.00 0.00 178.83 177.01 121p h TYR 71 N 0.37 0.00 -0.32 3.99 -0.00 -1.33 -3.04 116.97 116.64 121p h TYR 71 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.69 121p h TYR 71 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.16 121p h TYR 71 CO 0.04 0.28 -0.35 0.52 -0.00 0.00 0.00 178.16 178.64 121p h MET 72 N 0.00 0.73 -0.83 0.10 2.86 -0.57 -2.63 114.93 114.60 121p h MET 72 Ca -0.01 -0.35 -0.00 0.00 -2.06 0.00 0.00 59.70 57.28 121p h MET 72 Cb 1.22 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.84 121p h MET 72 CO 0.04 0.97 0.50 -0.09 1.06 0.00 0.00 176.91 179.38 121p h ARG 73 N 0.61 1.12 0.00 1.72 2.43 -0.78 -3.13 114.38 116.35 121p h ARG 73 Ca 0.06 -0.10 -0.12 0.00 -0.81 0.00 0.00 59.98 59.01 121p h ARG 73 Cb 0.88 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 121p h ARG 73 CO 0.08 0.79 -0.59 1.15 -1.51 0.00 0.00 179.97 179.89 121p h THR 74 N 1.13 1.01 -3.90 0.20 2.02 -1.58 -3.47 112.91 108.32 121p h THR 74 Ca 0.30 -2.42 -0.52 0.00 0.77 0.00 0.00 66.41 64.54 121p h THR 74 Cb -0.05 2.49 0.07 0.00 -1.74 0.00 0.00 68.15 68.92 121p h THR 74 CO -0.06 0.57 0.61 -0.83 0.37 0.00 0.00 175.52 176.18 121p s GLY 75 N -4.50 2.97 -0.06 2.16 0.00 -0.99 -4.94 107.32 101.96 121p s GLY 75 Ca 0.03 1.20 0.15 0.00 0.00 0.00 0.00 44.72 46.10 121p s GLY 75 CO 0.76 1.81 0.55 1.18 0.00 0.00 0.00 173.10 177.40 121p n GLU 76 N 0.55 0.64 -3.80 2.90 1.02 0.40 -4.98 120.64 117.38 121p n GLU 76 Ca 0.01 0.19 -0.12 0.00 -0.02 0.00 0.00 57.16 57.23 121p n GLU 76 Cb 0.43 -1.72 -0.08 0.00 -0.02 0.00 0.00 31.44 30.05 121p n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 121p s GLY 77 N -5.11 -0.06 -0.04 0.62 0.00 -1.13 -4.25 107.32 97.36 121p s GLY 77 Ca -0.06 -0.04 0.03 0.00 0.00 0.00 0.00 44.72 44.66 121p s GLY 77 CO 0.83 -0.23 -0.12 -1.36 0.00 0.00 0.00 173.10 172.21 121p s PHE 78 N -2.15 1.29 -0.33 1.90 0.40 -0.55 -1.40 117.98 117.13 121p s PHE 78 Ca -0.08 -0.36 -0.15 0.00 -0.60 0.00 0.00 56.93 55.74 121p s PHE 78 Cb -0.03 -0.90 -0.02 0.00 0.51 0.00 0.00 43.02 42.59 121p s PHE 78 CO -0.01 -0.14 0.33 -0.51 0.70 0.00 0.00 175.22 175.59 121p s LEU 79 N 0.18 4.40 -0.47 -0.37 1.43 -0.16 -1.69 118.68 122.01 121p s LEU 79 Ca -0.04 -0.22 -0.17 0.00 -1.03 0.00 0.00 54.13 52.66 121p s LEU 79 Cb -0.10 -2.30 0.05 0.00 0.03 0.00 0.00 46.19 43.87 121p s LEU 79 CO 0.01 -0.30 0.50 0.00 0.23 0.00 0.00 176.35 176.79 121p s VAL 81 N 2.19 4.61 0.35 0.00 1.01 -0.41 -0.60 120.40 127.54 121p s VAL 81 Ca 0.11 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.02 121p s VAL 81 Cb -0.20 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 121p s VAL 81 CO 0.11 0.51 0.07 0.72 0.00 0.00 0.00 175.10 176.51 121p s PHE 82 N -0.03 1.91 -0.10 5.22 -0.71 -0.35 -4.16 117.98 119.77 121p s PHE 82 Ca 0.05 -1.04 -0.00 0.00 -1.04 0.00 0.00 56.93 54.90 121p s PHE 82 Cb -0.12 -1.26 -0.03 0.00 -1.21 0.00 0.00 43.02 40.40 121p s PHE 82 CO 0.01 -0.06 -0.07 0.00 -1.34 0.00 0.00 175.22 173.76 121p s ALA 83 N -3.27 2.92 -1.14 1.99 0.00 -1.26 -0.54 121.76 120.46 121p s ALA 83 Ca 0.33 -0.88 0.15 0.00 0.00 0.00 0.00 51.96 51.55 121p s ALA 83 Cb 0.07 -1.29 0.66 0.00 0.00 0.00 0.00 23.12 22.56 121p s ALA 83 CO 0.15 0.45 1.45 0.44 0.00 0.00 0.00 175.76 178.24 121p n ILE 84 N 2.70 0.86 -0.61 0.00 -6.64 -0.40 -1.39 119.36 113.88 121p n ILE 84 Ca -0.18 0.22 0.08 0.00 -1.77 0.00 0.00 62.75 61.10 121p n ILE 84 Cb 0.53 -0.97 0.27 0.00 -1.44 0.00 0.00 39.64 38.03 121p n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.77 0.00 0.00 176.55 174.32 121p n ASN 85 N -1.43 4.02 -3.50 7.28 6.94 -1.26 -0.38 115.26 126.93 121p n ASN 85 Ca 0.05 -2.50 -0.27 0.00 -0.02 0.00 0.00 54.58 51.84 121p n ASN 85 Cb 0.15 -0.47 -0.13 0.00 -2.36 0.00 0.00 39.78 36.97 121p n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 121p s ASN 86 N -1.23 3.14 0.25 0.53 2.47 -0.49 -4.70 114.94 114.91 121p s ASN 86 Ca 0.41 -1.48 -0.05 0.00 0.42 0.00 0.00 52.86 52.17 121p s ASN 86 Cb 0.28 -0.25 0.36 0.00 -1.45 0.00 0.00 41.25 40.19 121p s ASN 86 CO 0.17 -0.40 1.85 0.74 -3.72 0.00 0.00 177.10 175.75 121p h THR 87 N 6.00 1.02 -0.86 -5.21 2.02 -1.88 -1.25 112.91 112.74 121p h THR 87 Ca -0.12 -0.33 0.04 0.00 0.77 0.00 0.00 66.41 66.77 121p h THR 87 Cb 1.01 -0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 121p h THR 87 CO 0.38 0.18 0.57 0.50 0.37 0.00 0.00 175.52 177.51 121p h LYS 88 N 0.97 1.02 -0.11 6.66 3.64 -1.95 -0.12 116.57 126.68 121p h LYS 88 Ca 0.39 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.63 121p h LYS 88 Cb 0.21 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 121p h LYS 88 CO -0.19 0.68 -0.28 0.66 -2.27 0.00 0.00 179.45 178.04 121p h SER 89 N 1.05 0.20 -0.34 4.20 4.64 -1.57 0.50 113.55 122.24 121p h SER 89 Ca 0.35 -0.06 -0.11 0.00 -0.47 0.00 0.00 61.79 61.50 121p h SER 89 Cb 0.06 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 121p h SER 89 CO -0.11 0.49 -0.20 0.15 -0.87 0.00 0.00 176.83 176.29 121p h PHE 90 N 0.18 0.86 -0.67 4.77 3.57 -0.90 -3.13 116.94 121.62 121p h PHE 90 Ca 0.03 -0.22 -0.04 0.00 3.53 0.00 0.00 57.97 61.26 121p h PHE 90 Cb 0.60 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 121p h PHE 90 CO 0.01 0.96 0.25 0.93 -2.23 0.00 0.00 178.31 178.23 121p h GLU 91 N 0.51 1.00 -0.16 1.11 5.08 -0.58 -2.34 114.58 119.20 121p h GLU 91 Ca 0.07 -0.19 0.05 0.00 -1.00 0.00 0.00 59.36 58.29 121p h GLU 91 Cb 0.75 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 121p h GLU 91 CO 0.06 0.84 0.25 -0.44 -1.00 0.00 0.00 179.01 178.72 121p h ASP 92 N 0.95 0.00 -0.66 1.42 3.32 -0.87 -3.10 116.42 117.47 121p h ASP 92 Ca 0.22 0.00 0.13 0.00 0.02 0.00 0.00 57.03 57.40 121p h ASP 92 Cb 0.23 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.68 121p h ASP 92 CO -0.02 0.00 0.17 0.40 -1.72 0.00 0.00 179.24 178.08 121p h ILE 93 N 0.00 0.62 -0.61 0.35 1.08 -1.39 -0.96 117.51 116.61 121p h ILE 93 Ca 0.08 -0.10 0.11 0.00 -0.39 0.00 0.00 64.86 64.56 121p h ILE 93 Cb 0.58 0.29 -0.09 0.00 -3.07 0.00 0.00 36.82 34.53 121p h ILE 93 CO -0.00 0.06 0.14 0.45 -0.69 0.00 0.00 178.15 178.10 121p h HIS 94 N 0.30 0.22 -0.83 1.37 3.86 -1.74 0.11 115.15 118.44 121p h HIS 94 Ca 0.36 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.57 121p h HIS 94 Cb 0.55 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.97 121p h HIS 94 CO -0.23 -0.02 0.41 1.96 0.86 0.00 0.00 177.93 180.90 121p h GLN 95 N 0.27 1.18 -0.26 2.45 7.50 -1.38 -0.62 115.11 124.26 121p h GLN 95 Ca 0.32 -0.17 -0.11 0.00 0.50 0.00 0.00 58.65 59.20 121p h GLN 95 Cb 0.47 -0.22 -0.00 0.00 0.05 0.00 0.00 27.48 27.78 121p h GLN 95 CO -0.40 0.90 -0.25 1.88 -1.50 0.00 0.00 178.83 179.46 121p h TYR 96 N 1.17 0.76 -0.49 2.96 -1.99 -0.89 -2.05 116.97 116.44 121p h TYR 96 Ca 0.29 -0.22 0.01 0.00 2.00 0.00 0.00 58.73 60.80 121p h TYR 96 Cb 0.10 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 38.64 121p h TYR 96 CO 0.01 0.94 0.31 -0.09 -0.00 0.00 0.00 178.16 179.34 121p h ARG 97 N 0.36 0.61 -0.72 4.88 2.43 -0.71 -0.45 114.38 120.77 121p h ARG 97 Ca 0.04 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 121p h ARG 97 Cb 0.81 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 121p h ARG 97 CO 0.06 0.41 0.29 0.93 -1.51 0.00 0.00 179.97 180.14 121p h GLU 98 N 0.63 1.07 -0.61 0.20 4.39 -1.11 0.23 114.58 119.37 121p h GLU 98 Ca 0.19 -0.18 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 121p h GLU 98 Cb -0.03 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.42 121p h GLU 98 CO -0.06 0.87 0.01 0.37 -1.16 0.00 0.00 179.01 179.03 121p h GLN 99 N 1.05 1.08 -0.49 2.33 4.15 -0.89 -1.61 115.11 120.72 121p h GLN 99 Ca 0.24 -0.34 -0.04 0.00 0.77 0.00 0.00 58.65 59.28 121p h GLN 99 Cb 0.20 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 121p h GLN 99 CO -0.02 1.04 0.15 0.82 -1.93 0.00 0.00 178.83 178.89 121p h ILE 100 N 0.98 1.23 -0.63 2.39 2.04 -0.47 -1.65 117.51 121.39 121p h ILE 100 Ca 0.17 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 121p h ILE 100 Cb 0.55 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 121p h ILE 100 CO 0.03 0.28 0.31 0.11 0.00 0.00 0.00 178.15 178.88 121p h LYS 101 N 0.66 0.89 0.13 2.37 1.57 -0.71 -1.69 116.57 119.78 121p h LYS 101 Ca 0.16 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 121p h LYS 101 Cb 0.27 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.42 121p h LYS 101 CO -0.00 0.68 -0.06 -0.09 -0.57 0.00 0.00 179.45 179.41 121p h ARG 102 N 0.89 -0.17 0.00 3.15 2.43 -1.04 -1.27 114.38 118.37 121p h ARG 102 Ca 0.22 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.29 121p h ARG 102 Cb 0.08 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 121p h ARG 102 CO -0.03 0.15 -0.55 -0.39 -1.51 0.00 0.00 179.97 177.64 121p h VAL 103 N -0.50 1.19 -0.25 0.20 -1.51 -1.17 -3.05 116.25 111.17 121p h VAL 103 Ca -0.02 -2.03 0.00 0.00 -1.23 0.00 0.00 66.70 63.42 121p h VAL 103 Cb 0.40 2.16 0.00 0.00 -2.13 0.00 0.00 31.29 31.72 121p h VAL 103 CO 0.03 0.54 0.00 0.29 -1.23 0.00 0.00 177.57 177.20 121p n LYS 104 N -3.58 1.91 -3.93 5.19 5.02 -0.65 -4.83 118.16 117.29 121p n LYS 104 Ca -0.00 -1.38 -0.28 0.00 -2.02 0.00 0.00 58.31 54.62 121p n LYS 104 Cb 0.62 -1.40 0.01 0.00 -0.02 0.00 0.00 35.03 34.24 121p n LYS 104 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 121p n ASP 105 N 0.61 -2.87 -3.72 4.39 8.00 -0.54 -4.94 116.55 117.48 121p n ASP 105 Ca 0.16 -0.87 -0.13 0.00 0.71 0.00 0.00 54.79 54.66 121p n ASP 105 Cb 0.39 -3.56 -0.10 0.00 -0.02 0.00 0.00 41.12 37.82 121p n ASP 105 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 121p s SER 106 N -3.75 -0.46 0.16 -2.24 0.15 -0.82 -5.01 113.70 101.74 121p s SER 106 Ca 0.40 0.86 0.24 0.00 0.70 0.00 0.00 55.95 58.15 121p s SER 106 Cb -0.21 0.84 0.27 0.00 -1.71 0.00 0.00 66.02 65.22 121p s SER 106 CO 0.86 -0.16 1.28 0.44 1.20 0.00 0.00 173.24 176.86 121p h ASP 107 N 5.79 0.00 -3.44 5.45 3.32 -1.92 -3.41 116.42 122.22 121p h ASP 107 Ca -0.29 -0.15 -0.57 0.00 0.02 0.00 0.00 57.03 56.04 121p h ASP 107 Cb 1.18 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.34 121p h ASP 107 CO 0.25 0.07 -0.77 1.51 -1.72 0.00 0.00 179.24 178.58 121p s ASP 108 N -4.61 3.54 -0.05 6.45 1.47 -1.26 -5.09 116.67 117.11 121p s ASP 108 Ca 0.05 -1.13 0.05 0.00 1.18 0.00 0.00 52.55 52.70 121p s ASP 108 Cb 0.12 -0.93 -0.02 0.00 -0.34 0.00 0.00 42.92 41.75 121p s ASP 108 CO 0.73 -0.29 -0.19 -0.69 0.68 0.00 0.00 175.17 175.41 121p s VAL 109 N 1.59 2.64 -0.12 2.11 1.01 -1.26 -5.08 120.40 121.29 121p s VAL 109 Ca -0.01 -0.87 -0.37 0.00 0.00 0.00 0.00 61.98 60.72 121p s VAL 109 Cb -0.18 -2.00 -0.14 0.00 0.00 0.00 0.00 36.38 34.05 121p s VAL 109 CO -0.09 0.58 1.72 -2.65 0.00 0.00 0.00 175.10 174.65 121p n PRO 110 N 2.54 1.60 -3.63 2.72 -0.02 -1.26 -4.94 135.00 132.00 121p n PRO 110 Ca -0.17 0.59 -0.16 0.00 -2.02 0.00 0.00 63.50 61.74 121p n PRO 110 Cb 0.52 -2.33 -0.07 0.00 -0.02 0.00 0.00 33.50 31.60 121p n PRO 110 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 121p s MET 111 N 3.02 0.86 -0.02 -0.52 1.75 -1.26 -1.49 119.30 121.63 121p s MET 111 Ca 0.93 0.16 0.03 0.00 -1.25 0.00 0.00 55.69 55.55 121p s MET 111 Cb -0.89 0.40 -0.00 0.00 2.84 0.00 0.00 34.83 37.18 121p s MET 111 CO 0.55 -0.24 -0.11 0.08 -0.65 0.00 0.00 175.02 174.66 121p s VAL 112 N -1.04 0.91 -0.26 10.11 1.01 -0.68 -4.34 120.40 126.10 121p s VAL 112 Ca -0.11 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 61.23 121p s VAL 112 Cb -0.03 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 121p s VAL 112 CO 0.07 0.27 0.60 -0.22 0.00 0.00 0.00 175.10 175.82 121p s LEU 113 N 0.07 4.07 -0.14 3.92 2.96 -0.01 -0.92 118.68 128.63 121p s LEU 113 Ca -0.02 0.63 0.00 0.00 -0.22 0.00 0.00 54.13 54.52 121p s LEU 113 Cb -0.08 -2.80 -0.01 0.00 0.50 0.00 0.00 46.19 43.80 121p s LEU 113 CO 0.01 -0.37 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.83 121p s VAL 114 N 2.47 2.75 -0.52 1.68 1.01 0.23 -0.95 120.40 127.07 121p s VAL 114 Ca 0.25 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 121p s VAL 114 Cb -0.15 -2.15 0.13 0.00 0.00 0.00 0.00 36.38 34.21 121p s VAL 114 CO 0.09 0.52 0.40 -0.83 0.00 0.00 0.00 175.10 175.28 121p s GLY 115 N 0.62 2.12 0.66 4.51 0.00 -0.18 -1.21 107.32 113.84 121p s GLY 115 Ca -0.08 -2.65 -0.05 0.00 0.00 0.00 0.00 44.72 41.94 121p s GLY 115 CO 0.03 1.13 0.95 0.21 0.00 0.00 0.00 173.10 175.42 121p s ASN 116 N 2.62 5.02 -0.93 1.64 2.47 0.30 -1.14 114.94 124.91 121p s ASN 116 Ca 0.07 0.39 -0.02 0.00 0.42 0.00 0.00 52.86 53.72 121p s ASN 116 Cb -0.25 -1.14 0.00 0.00 -1.45 0.00 0.00 41.25 38.41 121p s ASN 116 CO -0.01 -1.43 0.30 0.29 -3.72 0.00 0.00 177.10 172.53 121p n LYS 117 N -2.75 -2.59 0.00 0.43 5.02 -0.71 -1.27 118.16 116.29 121p n LYS 117 Ca 0.07 0.54 0.05 0.00 -2.02 0.00 0.00 58.31 56.96 121p n LYS 117 Cb 0.60 -4.64 0.28 0.00 -0.02 0.00 0.00 35.03 31.25 121p n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 121p h ASP 119 N 0.00 0.00 -3.79 0.00 2.03 -1.91 -3.46 116.42 109.29 121p h ASP 119 Ca 0.00 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 55.81 121p h ASP 119 Cb 0.07 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.56 121p h ASP 119 CO 0.00 0.01 0.37 -0.76 -1.03 0.00 0.00 179.24 177.83 121p s LEU 120 N -6.21 4.57 -0.01 0.15 1.43 -0.55 -4.98 118.68 113.08 121p s LEU 120 Ca 0.05 1.98 0.11 0.00 -1.03 0.00 0.00 54.13 55.24 121p s LEU 120 Cb 0.06 -3.70 -0.23 0.00 0.03 0.00 0.00 46.19 42.36 121p s LEU 120 CO 0.63 0.06 0.81 0.00 0.23 0.00 0.00 176.35 178.08 121p h ALA 121 N 3.89 0.67 0.00 4.21 0.00 -1.89 -3.39 119.26 122.75 121p h ALA 121 Ca -0.46 -1.34 -0.13 0.00 0.00 0.00 0.00 54.91 52.99 121p h ALA 121 Cb 1.20 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.33 121p h ALA 121 CO 0.67 1.51 1.31 0.00 0.00 0.00 0.00 179.25 182.74 121p n ALA 122 N -2.51 2.45 -2.17 0.00 0.00 -1.26 -4.90 120.51 112.12 121p n ALA 122 Ca -0.13 -0.71 -0.42 0.00 0.00 0.00 0.00 53.44 52.17 121p n ALA 122 Cb 1.03 -2.59 -0.03 0.00 0.00 0.00 0.00 19.45 17.86 121p n ALA 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 121p s ARG 123 N 3.89 4.29 -0.00 0.00 3.52 -1.26 -4.46 118.95 124.92 121p s ARG 123 Ca 0.16 2.05 0.08 0.00 -0.13 0.00 0.00 55.73 57.89 121p s ARG 123 Cb 0.05 -3.42 -0.10 0.00 -1.56 0.00 0.00 34.95 29.92 121p s ARG 123 CO -0.01 -0.52 0.25 0.25 -0.81 0.00 0.00 175.30 174.46 121p n THR 124 N 4.32 0.00 -3.72 4.11 -2.24 0.49 -4.93 114.28 112.30 121p n THR 124 Ca 0.13 -0.26 -0.37 0.00 -2.27 0.00 0.00 64.05 61.27 121p n THR 124 Cb 0.43 0.70 -0.12 0.00 -2.10 0.00 0.00 70.33 69.24 121p n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 121p s VAL 125 N -2.07 4.29 0.37 2.28 1.01 -0.46 -4.87 120.40 120.95 121p s VAL 125 Ca 0.00 -0.44 -0.27 0.00 0.00 0.00 0.00 61.98 61.28 121p s VAL 125 Cb 0.05 -3.14 -0.09 0.00 0.00 0.00 0.00 36.38 33.21 121p s VAL 125 CO 0.31 0.16 1.20 -0.70 0.00 0.00 0.00 175.10 176.06 121p s GLU 126 N 1.57 4.19 0.24 2.72 2.56 -1.26 -4.94 118.70 123.78 121p s GLU 126 Ca 0.04 1.93 -0.05 0.00 0.00 0.00 0.00 54.97 56.90 121p s GLU 126 Cb -0.16 -2.83 0.40 0.00 2.00 0.00 0.00 34.13 33.54 121p s GLU 126 CO 0.04 -0.23 1.79 0.77 -0.56 0.00 0.00 175.26 177.07 121p h SER 127 N 2.95 0.56 -0.95 -1.70 0.02 -1.99 -0.85 113.55 111.59 121p h SER 127 Ca -0.49 0.06 0.09 0.00 -0.84 0.00 0.00 61.79 60.62 121p h SER 127 Cb 1.23 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.66 121p h SER 127 CO 0.64 0.30 0.59 -0.09 -1.14 0.00 0.00 176.83 177.13 121p h ARG 128 N 0.68 0.98 -0.26 3.45 2.43 -1.99 0.24 114.38 119.92 121p h ARG 128 Ca 0.39 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.49 121p h ARG 128 Cb 0.43 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 121p h ARG 128 CO -0.28 0.65 0.12 1.96 -1.51 0.00 0.00 179.97 180.91 121p h GLN 129 N 1.01 0.38 -0.60 0.20 4.20 -1.54 -0.20 115.11 118.57 121p h GLN 129 Ca 0.44 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 59.01 121p h GLN 129 Cb 0.31 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 121p h GLN 129 CO -0.22 0.39 0.05 0.00 -0.67 0.00 0.00 178.83 178.38 121p h ALA 130 N 0.97 0.80 -0.59 3.87 0.00 -0.97 -1.65 119.26 121.69 121p h ALA 130 Ca 0.09 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 121p h ALA 130 Cb 0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 121p h ALA 130 CO -0.01 0.59 0.20 0.37 0.00 0.00 0.00 179.25 180.40 121p h GLN 131 N 0.91 0.90 -0.38 0.00 5.75 -0.31 0.57 115.11 122.55 121p h GLN 131 Ca 0.18 -0.18 0.04 0.00 -0.15 0.00 0.00 58.65 58.53 121p h GLN 131 Cb 0.48 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.86 121p h GLN 131 CO 0.02 0.80 0.16 -0.44 -2.65 0.00 0.00 178.83 176.72 121p h ASP 132 N 0.82 0.21 0.01 -0.69 3.32 -0.82 0.39 116.42 119.67 121p h ASP 132 Ca 0.19 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.28 121p h ASP 132 Cb 0.26 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 121p h ASP 132 CO -0.01 0.16 -0.08 0.25 -1.72 0.00 0.00 179.24 177.84 121p h LEU 133 N 0.34 -0.23 -0.73 1.55 5.85 -0.99 -0.87 115.31 120.23 121p h LEU 133 Ca 0.17 0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.00 121p h LEU 133 Cb 0.11 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 121p h LEU 133 CO -0.14 -0.12 0.39 0.00 -0.34 0.00 0.00 178.44 178.23 121p h ALA 134 N 0.83 1.00 -0.63 1.25 0.00 -0.56 -1.84 119.26 119.30 121p h ALA 134 Ca 0.03 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 121p h ALA 134 Cb 0.18 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 121p h ALA 134 CO -0.08 0.03 0.32 -0.09 0.00 0.00 0.00 179.25 179.44 121p h ARG 135 N 0.69 0.89 0.00 0.00 9.65 -0.53 0.11 114.38 125.19 121p h ARG 135 Ca 0.34 -0.12 -0.02 0.00 -1.10 0.00 0.00 59.98 59.08 121p h ARG 135 Cb 0.29 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 28.70 121p h ARG 135 CO -0.23 0.70 -0.11 0.66 2.80 0.00 0.00 179.97 183.79 121p h SER 136 N 0.86 0.00 0.79 -3.80 4.64 -0.38 -1.05 113.55 114.61 121p h SER 136 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 121p h SER 136 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 121p h SER 136 CO -0.03 0.11 -0.48 -1.22 -0.87 0.00 0.00 176.83 174.34 121p n TYR 137 N -3.98 0.33 -2.57 4.77 4.01 -0.23 -4.94 117.16 114.55 121p n TYR 137 Ca -0.02 0.10 -0.11 0.00 -0.16 0.00 0.00 57.90 57.70 121p n TYR 137 Cb 0.19 -0.52 0.01 0.00 -0.31 0.00 0.00 39.34 38.72 121p n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 121p n GLY 138 N 1.41 0.06 3.31 2.72 0.00 0.20 -5.04 105.19 107.85 121p n GLY 138 Ca 0.05 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 121p n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 121p s ILE 139 N -2.80 1.59 0.63 -0.61 -4.36 -0.65 -5.01 121.20 109.99 121p s ILE 139 Ca 0.13 -2.09 -0.18 0.00 -0.26 0.00 0.00 60.65 58.25 121p s ILE 139 Cb -0.06 -1.92 -0.02 0.00 1.25 0.00 0.00 42.46 41.72 121p s ILE 139 CO 0.16 -0.58 1.23 -2.84 0.24 0.00 0.00 174.94 173.16 121p s PRO 140 N -3.46 2.70 -0.13 0.37 0.02 -1.26 -4.29 135.00 128.94 121p s PRO 140 Ca 0.19 1.88 0.01 0.00 0.02 0.00 0.00 61.00 63.11 121p s PRO 140 Cb -0.01 -1.89 -0.00 0.00 0.02 0.00 0.00 34.50 32.62 121p s PRO 140 CO 0.05 -1.43 -0.17 -0.47 -0.33 0.00 0.00 177.00 174.65 121p s TYR 141 N -1.61 2.73 -0.04 6.54 5.04 -1.26 -0.83 117.35 127.93 121p s TYR 141 Ca 0.78 -0.93 0.02 0.00 -2.44 0.00 0.00 57.07 54.50 121p s TYR 141 Cb -0.32 -1.83 0.01 0.00 0.35 0.00 0.00 41.96 40.17 121p s TYR 141 CO 0.37 -0.39 -0.09 0.42 -1.34 0.00 0.00 175.55 174.52 121p s ILE 142 N 0.56 0.88 -0.00 3.14 1.01 -0.12 -4.98 121.20 121.68 121p s ILE 142 Ca -0.10 -0.36 -0.15 0.00 0.00 0.00 0.00 60.65 60.03 121p s ILE 142 Cb -0.16 -0.80 -0.06 0.00 0.01 0.00 0.00 42.46 41.45 121p s ILE 142 CO 0.04 0.28 0.42 -1.61 0.00 0.00 0.00 174.94 174.08 121p s GLU 143 N 0.50 3.97 0.15 2.79 2.02 -1.26 -1.01 118.70 125.85 121p s GLU 143 Ca -0.09 0.44 0.03 0.00 0.02 0.00 0.00 54.97 55.37 121p s GLU 143 Cb -0.12 -3.23 -0.05 0.00 0.10 0.00 0.00 34.13 30.83 121p s GLU 143 CO 0.02 0.66 -0.06 0.95 0.02 0.00 0.00 175.26 176.85 121p s THR 144 N -0.99 0.93 -0.13 3.63 -4.23 -0.29 -4.43 115.64 110.13 121p s THR 144 Ca 0.24 -2.01 -0.03 0.00 -1.18 0.00 0.00 61.69 58.71 121p s THR 144 Cb -0.17 -1.95 0.05 0.00 1.34 0.00 0.00 72.50 71.77 121p s THR 144 CO 0.14 -0.65 0.03 -0.55 -0.54 0.00 0.00 174.62 173.05 121p s SER 145 N -3.16 2.18 0.53 3.99 0.15 0.60 -1.30 113.70 116.69 121p s SER 145 Ca 0.19 -0.44 0.31 0.00 0.70 0.00 0.00 55.95 56.71 121p s SER 145 Cb 0.04 -0.44 1.34 0.00 -1.71 0.00 0.00 66.02 65.25 121p s SER 145 CO 0.01 -0.27 1.99 0.00 1.20 0.00 0.00 173.24 176.17 121p h ALA 146 N 8.32 1.05 -0.07 5.45 0.00 -1.90 0.71 119.26 132.82 121p h ALA 146 Ca -0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 121p h ALA 146 Cb 1.13 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 121p h ALA 146 CO 0.29 0.10 -0.08 -0.22 0.00 0.00 0.00 179.25 179.34 121p h LYS 147 N 0.00 0.18 -0.02 0.00 3.64 -1.94 -3.33 116.57 115.11 121p h LYS 147 Ca -0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 121p h LYS 147 Cb 0.51 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 121p h LYS 147 CO 0.01 0.63 -0.38 0.25 -2.27 0.00 0.00 179.45 177.70 121p n THR 148 N -4.69 0.00 -0.71 1.00 -2.24 -1.20 -4.83 114.28 101.60 121p n THR 148 Ca -0.07 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 121p n THR 148 Cb 0.32 1.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 121p n THR 148 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 121p n ARG 149 N 0.26 0.00 -1.67 -0.78 0.63 0.22 -4.98 116.66 110.34 121p n ARG 149 Ca 0.10 0.00 -0.51 0.00 -0.92 0.00 0.00 57.85 56.52 121p n ARG 149 Cb 0.49 -2.74 -0.05 0.00 0.45 0.00 0.00 32.46 30.61 121p n ARG 149 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 121p n GLN 150 N -2.00 1.72 -0.63 -0.14 -0.06 -1.06 -2.21 117.38 113.00 121p n GLN 150 Ca 0.00 0.63 0.00 0.00 -2.00 0.00 0.00 57.00 55.63 121p n GLN 150 Cb 0.00 -2.38 0.00 0.00 -4.06 0.00 0.00 30.24 23.80 121p n GLN 150 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 121p n GLY 151 N 3.81 0.99 0.22 1.69 0.00 -1.26 -0.29 105.19 110.35 121p n GLY 151 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 121p n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 121p h VAL 152 N 0.00 0.62 -0.80 1.61 2.07 -1.73 -0.76 116.25 117.25 121p h VAL 152 Ca 0.00 -0.53 0.15 0.00 0.82 0.00 0.00 66.70 67.13 121p h VAL 152 Cb 0.00 0.87 -0.10 0.00 -1.52 0.00 0.00 31.29 30.54 121p h VAL 152 CO 0.00 0.10 0.35 -0.33 0.02 0.00 0.00 177.57 177.71 121p h GLU 153 N -0.80 0.49 -0.42 1.57 5.08 -1.91 -1.84 114.58 116.75 121p h GLU 153 Ca -0.05 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 121p h GLU 153 Cb 0.52 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 121p h GLU 153 CO 0.08 0.32 0.17 0.22 -1.00 0.00 0.00 179.01 178.80 121p h ASP 154 N 0.50 0.21 -0.36 1.42 1.82 -1.90 0.23 116.42 118.34 121p h ASP 154 Ca 0.44 0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 57.10 121p h ASP 154 Cb 0.66 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.66 121p h ASP 154 CO -0.40 0.16 0.16 0.00 -1.61 0.00 0.00 179.24 177.55 121p h ALA 155 N 1.25 0.46 -0.08 -0.78 0.00 -0.33 0.15 119.26 119.93 121p h ALA 155 Ca 0.19 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 121p h ALA 155 Cb 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.80 121p h ALA 155 CO -0.17 0.04 -0.23 0.74 0.00 0.00 0.00 179.25 179.63 121p h PHE 156 N 0.43 0.38 -0.18 0.00 0.04 -1.14 -2.40 116.94 114.07 121p h PHE 156 Ca 0.12 -0.15 -0.12 0.00 2.80 0.00 0.00 57.97 60.62 121p h PHE 156 Cb 0.15 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 121p h PHE 156 CO -0.01 0.84 -0.41 1.88 -0.60 0.00 0.00 178.31 180.01 121p h TYR 157 N -0.18 0.48 -0.81 -0.55 -1.99 -0.54 -0.81 116.97 112.57 121p h TYR 157 Ca -0.01 -0.14 -0.02 0.00 2.00 0.00 0.00 58.73 60.57 121p h TYR 157 Cb 0.84 -0.11 -0.04 0.00 2.00 0.00 0.00 36.73 39.43 121p h TYR 157 CO 0.12 0.75 0.43 1.15 -0.00 0.00 0.00 178.16 180.62 121p h THR 158 N 0.34 1.24 -0.35 -2.88 2.02 -0.69 -0.91 112.91 111.67 121p h THR 158 Ca 0.03 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 121p h THR 158 Cb 0.86 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 121p h THR 158 CO 0.07 0.27 0.11 0.25 0.37 0.00 0.00 175.52 176.59 121p h LEU 159 N 1.13 0.51 -0.60 2.58 5.85 -0.80 -0.19 115.31 123.79 121p h LEU 159 Ca 0.28 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.88 121p h LEU 159 Cb 0.04 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.87 121p h LEU 159 CO -0.04 0.59 0.24 0.58 -0.34 0.00 0.00 178.44 179.46 121p h VAL 160 N 0.41 0.81 -0.18 1.05 2.07 -0.82 -1.56 116.25 118.04 121p h VAL 160 Ca 0.11 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 121p h VAL 160 Cb 0.26 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 121p h VAL 160 CO -0.00 0.08 -0.05 0.03 0.02 0.00 0.00 177.57 177.65 121p h ARG 161 N 0.44 0.26 -0.57 1.57 3.08 -0.53 -1.19 114.38 117.43 121p h ARG 161 Ca 0.29 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.22 121p h ARG 161 Cb 0.33 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 121p h ARG 161 CO -0.28 0.33 0.05 0.93 -1.07 0.00 0.00 179.97 179.94 121p h GLU 162 N 0.26 0.95 -0.19 0.04 4.39 -0.13 -2.22 114.58 117.68 121p h GLU 162 Ca 0.06 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.48 121p h GLU 162 Cb 0.26 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 121p h GLU 162 CO 0.01 0.90 0.04 0.82 -1.16 0.00 0.00 179.01 179.62 121p h ILE 163 N 0.88 1.22 -1.13 3.13 2.04 -0.50 -2.67 117.51 120.48 121p h ILE 163 Ca 0.17 -0.70 0.32 0.00 1.00 0.00 0.00 64.86 65.65 121p h ILE 163 Cb 0.45 1.32 -0.08 0.00 -0.74 0.00 0.00 36.82 37.77 121p h ILE 163 CO 0.02 0.21 0.77 0.03 0.00 0.00 0.00 178.15 179.18 121p h ARG 164 N 0.11 0.18 -0.69 2.37 3.08 -0.95 -1.39 114.38 117.10 121p h ARG 164 Ca 0.06 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.10 121p h ARG 164 Cb 0.29 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.30 121p h ARG 164 CO 0.00 0.12 0.00 1.04 -1.07 0.00 0.00 179.97 180.06 121p n GLN 165 N -4.43 2.77 0.00 0.04 6.02 -0.86 -5.10 117.38 115.82 121p n GLN 165 Ca 0.26 -2.52 0.15 0.00 -0.01 0.00 0.00 57.00 54.88 121p n GLN 165 Cb 1.10 -1.59 0.87 0.00 1.02 0.00 0.00 30.24 31.63 121p n GLN 165 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63