#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j1p s VAL 2 N 0.00 4.98 0.00 2.53 1.01 -1.26 -3.95 120.40 123.71 1j1p s VAL 2 Ca 0.00 0.86 0.01 0.00 0.00 0.00 0.00 61.98 62.85 1j1p s VAL 2 Cb 0.00 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.64 1j1p s VAL 2 CO 0.00 0.52 -0.04 -1.10 0.00 0.00 0.00 175.10 174.49 1j1p s GLN 3 N -1.23 0.29 0.06 2.72 -0.21 0.56 -4.99 119.66 116.86 1j1p s GLN 3 Ca 0.27 -0.19 0.08 0.00 0.02 0.00 0.00 55.36 55.53 1j1p s GLN 3 Cb -0.17 -0.25 -0.03 0.00 1.00 0.00 0.00 33.01 33.56 1j1p s GLN 3 CO 0.15 0.07 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.67 1j1p s LEU 4 N -0.25 2.21 -0.21 2.90 1.02 -1.26 -1.01 118.68 122.08 1j1p s LEU 4 Ca -0.00 -0.57 -0.10 0.00 0.02 0.00 0.00 54.13 53.48 1j1p s LEU 4 Cb -0.02 -0.95 0.08 0.00 0.02 0.00 0.00 46.19 45.31 1j1p s LEU 4 CO -0.00 0.13 0.48 -1.58 0.02 0.00 0.00 176.35 175.40 1j1p s GLN 5 N -1.40 0.43 0.39 1.70 0.74 -0.81 -4.31 119.66 116.40 1j1p s GLN 5 Ca 0.07 0.99 -0.13 0.00 0.05 0.00 0.00 55.36 56.34 1j1p s GLN 5 Cb -0.09 0.19 -0.08 0.00 1.10 0.00 0.00 33.01 34.13 1j1p s GLN 5 CO 0.03 -0.19 0.79 -1.21 -0.55 0.00 0.00 175.29 174.15 1j1p s GLU 6 N 1.96 3.89 0.04 1.67 8.01 -1.26 -1.05 118.70 131.96 1j1p s GLU 6 Ca -0.07 0.62 -0.20 0.00 0.01 0.00 0.00 54.97 55.33 1j1p s GLU 6 Cb -0.09 -2.37 0.04 0.00 -4.31 0.00 0.00 34.13 27.40 1j1p s GLU 6 CO -0.14 0.01 0.45 -1.54 0.01 0.00 0.00 175.26 174.04 1j1p s SER 7 N -2.79 -0.34 0.00 -0.19 1.04 -0.08 -4.97 113.70 106.37 1j1p s SER 7 Ca 0.54 0.08 0.00 0.00 0.48 0.00 0.00 55.95 57.05 1j1p s SER 7 Cb -0.10 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1j1p s SER 7 CO 0.26 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1j1p n GLY 8 N 0.54 2.76 3.71 7.32 0.00 -1.26 -1.00 105.19 117.25 1j1p n GLY 8 Ca -0.19 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 1j1p n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j1p n PRO 9 N -1.81 1.85 0.04 1.61 -0.04 -1.26 -4.93 135.00 130.45 1j1p n PRO 9 Ca 0.00 0.66 0.11 0.00 -0.04 0.00 0.00 63.50 64.24 1j1p n PRO 9 Cb 0.00 -2.42 -0.05 0.00 -0.04 0.00 0.00 33.50 30.99 1j1p n PRO 9 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1j1p n SER 10 N -0.08 0.51 -3.94 3.54 7.64 -1.26 -4.82 113.62 115.21 1j1p n SER 10 Ca 0.07 0.01 -0.22 0.00 1.01 0.00 0.00 58.87 59.74 1j1p n SER 10 Cb 0.41 1.07 -0.16 0.00 -1.01 0.00 0.00 64.21 64.51 1j1p n SER 10 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1j1p s LEU 11 N -4.55 1.42 0.14 -3.43 2.96 -1.26 -0.83 118.68 113.13 1j1p s LEU 11 Ca -0.01 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 1j1p s LEU 11 Cb 0.13 -0.61 -0.04 0.00 0.50 0.00 0.00 46.19 46.17 1j1p s LEU 11 CO 0.83 -0.03 -0.06 0.68 -1.32 0.00 0.00 176.35 176.46 1j1p s VAL 12 N 0.88 0.85 0.14 1.68 -7.23 -0.51 -4.97 120.40 111.24 1j1p s VAL 12 Ca -0.11 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.02 1j1p s VAL 12 Cb -0.15 -1.87 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 1j1p s VAL 12 CO 0.01 -0.72 0.36 -0.54 -0.31 0.00 0.00 175.10 173.91 1j1p s LYS 13 N -3.83 3.60 0.49 4.82 -0.14 -1.26 -1.48 119.74 121.95 1j1p s LYS 13 Ca 0.17 -0.12 -0.24 0.00 -1.36 0.00 0.00 55.97 54.42 1j1p s LYS 13 Cb 0.05 -2.86 -0.07 0.00 -1.68 0.00 0.00 37.83 33.26 1j1p s LYS 13 CO -0.00 0.48 1.37 -2.30 -0.76 0.00 0.00 175.35 174.13 1j1p n PRO 14 N 0.08 1.93 0.00 -1.68 -0.02 -1.26 -2.36 135.00 131.70 1j1p n PRO 14 Ca -0.03 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1j1p n PRO 14 Cb 0.52 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1j1p n PRO 14 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1j1p n SER 15 N -0.50 0.00 -4.55 2.55 2.88 0.10 -4.92 113.62 109.19 1j1p n SER 15 Ca 0.08 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.36 1j1p n SER 15 Cb 0.43 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.01 1j1p n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j1p s GLN 16 N -0.17 1.44 -0.23 -1.46 -2.07 -0.99 -3.91 119.66 112.27 1j1p s GLN 16 Ca 0.00 -0.73 -0.13 0.00 -1.82 0.00 0.00 55.36 52.68 1j1p s GLN 16 Cb 0.00 -2.15 -0.05 0.00 -1.09 0.00 0.00 33.01 29.73 1j1p s GLN 16 CO 0.00 -1.71 0.26 0.99 -1.32 0.00 0.00 175.29 173.51 1j1p s THR 17 N -3.40 5.29 -0.10 3.63 2.01 -1.26 -1.90 115.64 119.90 1j1p s THR 17 Ca 0.68 0.40 -0.21 0.00 0.31 0.00 0.00 61.69 62.86 1j1p s THR 17 Cb -0.06 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1j1p s THR 17 CO 0.47 0.29 0.60 -0.22 -0.69 0.00 0.00 174.62 175.08 1j1p s LEU 18 N 1.25 4.28 -0.05 4.42 2.96 0.46 -4.89 118.68 127.12 1j1p s LEU 18 Ca 0.12 0.99 0.03 0.00 -0.22 0.00 0.00 54.13 55.05 1j1p s LEU 18 Cb -0.14 -2.90 0.01 0.00 0.50 0.00 0.00 46.19 43.65 1j1p s LEU 18 CO 0.06 -0.09 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.45 1j1p s SER 19 N 0.78 1.58 0.12 3.68 0.01 -1.26 -0.16 113.70 118.45 1j1p s SER 19 Ca 0.32 -0.26 0.05 0.00 1.31 0.00 0.00 55.95 57.38 1j1p s SER 19 Cb -0.16 -0.60 -0.04 0.00 0.21 0.00 0.00 66.02 65.43 1j1p s SER 19 CO 0.14 0.05 -0.13 -0.76 0.41 0.00 0.00 173.24 172.95 1j1p s LEU 20 N 0.44 2.40 0.02 2.44 1.43 -0.15 -4.43 118.68 120.83 1j1p s LEU 20 Ca -0.09 -0.81 0.08 0.00 -1.03 0.00 0.00 54.13 52.27 1j1p s LEU 20 Cb -0.13 -0.51 -0.02 0.00 0.03 0.00 0.00 46.19 45.56 1j1p s LEU 20 CO 0.02 -0.17 -0.23 -0.89 0.23 0.00 0.00 176.35 175.31 1j1p s THR 21 N -2.20 1.85 -0.20 5.49 2.01 -0.17 -1.54 115.64 120.87 1j1p s THR 21 Ca 0.08 -1.15 0.01 0.00 0.31 0.00 0.00 61.69 60.95 1j1p s THR 21 Cb -0.04 -1.57 0.04 0.00 0.01 0.00 0.00 72.50 70.94 1j1p s THR 21 CO 0.02 0.38 -0.13 0.00 -0.69 0.00 0.00 174.62 174.21 1j1p s SER 23 N 1.32 6.45 -0.16 0.00 0.01 -0.21 -1.92 113.70 119.19 1j1p s SER 23 Ca -0.01 0.53 -0.05 0.00 1.31 0.00 0.00 55.95 57.73 1j1p s SER 23 Cb -0.16 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 1j1p s SER 23 CO -0.09 0.01 -0.01 -0.69 0.41 0.00 0.00 173.24 172.87 1j1p s VAL 24 N 0.89 4.11 -0.01 3.43 1.01 -0.77 -1.93 120.40 127.14 1j1p s VAL 24 Ca 0.18 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 61.93 1j1p s VAL 24 Cb -0.14 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 1j1p s VAL 24 CO 0.06 0.48 -0.14 0.42 0.00 0.00 0.00 175.10 175.93 1j1p s THR 25 N 0.38 1.14 0.00 3.92 -4.23 -0.18 -4.79 115.64 111.88 1j1p s THR 25 Ca -0.02 -0.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 1j1p s THR 25 Cb -0.14 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.75 1j1p s THR 25 CO 0.02 0.32 0.00 0.61 -0.54 0.00 0.00 174.62 175.04 1j1p n GLY 26 N 2.77 2.10 3.56 3.99 0.00 -1.25 -0.33 105.19 116.04 1j1p n GLY 26 Ca -0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 1j1p n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1j1p s ASP 27 N -1.36 -0.34 0.33 1.61 2.15 -1.26 -4.69 116.67 113.11 1j1p s ASP 27 Ca 0.00 -0.11 -0.27 0.00 0.43 0.00 0.00 52.55 52.60 1j1p s ASP 27 Cb 0.00 0.43 -0.09 0.00 -0.30 0.00 0.00 42.92 42.96 1j1p s ASP 27 CO 0.00 -0.73 1.09 -0.55 -0.17 0.00 0.00 175.17 174.80 1j1p s SER 28 N -2.63 7.03 0.27 -0.34 0.15 -1.26 -4.91 113.70 112.02 1j1p s SER 28 Ca 0.06 2.20 0.23 0.00 0.70 0.00 0.00 55.95 59.14 1j1p s SER 28 Cb -0.01 -2.61 1.03 0.00 -1.71 0.00 0.00 66.02 62.71 1j1p s SER 28 CO -0.06 -0.31 1.70 2.30 1.20 0.00 0.00 173.24 178.07 1j1p n ILE 29 N 0.67 0.89 1.23 6.45 -5.35 -1.26 -1.71 119.36 120.28 1j1p n ILE 29 Ca 0.01 0.36 0.12 0.00 -0.27 0.00 0.00 62.75 62.97 1j1p n ILE 29 Cb 0.47 -1.31 0.64 0.00 -1.74 0.00 0.00 39.64 37.69 1j1p n ILE 29 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1j1p n THR 30 N -2.25 0.19 -0.86 7.28 -2.24 -1.26 -3.27 114.28 111.87 1j1p n THR 30 Ca 0.01 0.05 0.08 0.00 -2.27 0.00 0.00 64.05 61.92 1j1p n THR 30 Cb 0.18 -0.65 0.33 0.00 -2.10 0.00 0.00 70.33 68.09 1j1p n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1j1p n SER 31 N -1.22 4.78 -3.20 3.42 7.64 -0.69 -4.96 113.62 119.39 1j1p n SER 31 Ca 0.13 -2.85 -0.07 0.00 1.01 0.00 0.00 58.87 57.10 1j1p n SER 31 Cb 0.17 -0.60 0.02 0.00 -1.01 0.00 0.00 64.21 62.79 1j1p n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1j1p s ASP 32 N -1.24 -0.04 -0.05 6.43 -1.08 -1.20 -5.06 116.67 114.42 1j1p s ASP 32 Ca 0.48 -0.91 -0.02 0.00 -0.52 0.00 0.00 52.55 51.58 1j1p s ASP 32 Cb 0.36 0.72 -0.04 0.00 -1.46 0.00 0.00 42.92 42.50 1j1p s ASP 32 CO 0.15 -1.41 0.05 -0.31 0.52 0.00 0.00 175.17 174.17 1j1p s TYR 33 N -2.50 3.27 -0.04 -5.34 1.51 -1.26 -4.28 117.35 108.70 1j1p s TYR 33 Ca 0.17 0.24 0.06 0.00 -1.01 0.00 0.00 57.07 56.53 1j1p s TYR 33 Cb -0.04 -1.78 -0.01 0.00 -0.11 0.00 0.00 41.96 40.01 1j1p s TYR 33 CO 0.09 0.54 -0.22 -1.58 -1.11 0.00 0.00 175.55 173.26 1j1p s TRP 34 N -1.04 2.12 0.34 2.71 0.52 -0.28 -1.31 118.94 122.01 1j1p s TRP 34 Ca 0.18 -0.56 0.06 0.00 0.02 0.00 0.00 56.10 55.80 1j1p s TRP 34 Cb -0.12 -1.39 -0.07 0.00 -1.15 0.00 0.00 33.47 30.74 1j1p s TRP 34 CO 0.07 -0.15 0.01 -1.12 0.02 0.00 0.00 176.95 175.78 1j1p s SER 35 N -0.23 3.04 -0.04 2.95 0.01 0.12 -0.70 113.70 118.85 1j1p s SER 35 Ca 0.00 -1.32 0.02 0.00 1.31 0.00 0.00 55.95 55.96 1j1p s SER 35 Cb -0.12 -0.22 0.01 0.00 0.21 0.00 0.00 66.02 65.90 1j1p s SER 35 CO 0.02 -0.47 -0.08 0.26 0.41 0.00 0.00 173.24 173.38 1j1p s TRP 36 N -2.99 0.95 0.03 2.43 0.52 -0.65 -2.20 118.94 117.03 1j1p s TRP 36 Ca 0.34 -0.27 0.02 0.00 0.02 0.00 0.00 56.10 56.21 1j1p s TRP 36 Cb 0.08 -0.73 -0.02 0.00 -1.15 0.00 0.00 33.47 31.65 1j1p s TRP 36 CO 0.16 -0.16 -0.08 0.42 0.02 0.00 0.00 176.95 177.31 1j1p s ILE 37 N 0.52 0.59 0.07 2.03 1.09 -0.23 -1.29 121.20 123.98 1j1p s ILE 37 Ca -0.08 -0.86 0.03 0.00 -1.10 0.00 0.00 60.65 58.64 1j1p s ILE 37 Cb -0.12 -0.60 -0.03 0.00 -1.06 0.00 0.00 42.46 40.65 1j1p s ILE 37 CO 0.01 -0.21 -0.10 0.00 -0.10 0.00 0.00 174.94 174.54 1j1p s ARG 38 N -1.17 0.71 -0.18 2.79 1.70 -0.55 -0.22 118.95 122.03 1j1p s ARG 38 Ca -0.05 -0.96 0.01 0.00 -0.47 0.00 0.00 55.73 54.26 1j1p s ARG 38 Cb -0.08 -0.48 0.01 0.00 -0.57 0.00 0.00 34.95 33.84 1j1p s ARG 38 CO 0.00 0.08 -0.19 0.21 -1.08 0.00 0.00 175.30 174.33 1j1p s LYS 39 N -2.12 3.04 0.50 3.89 2.20 0.30 -0.91 119.74 126.64 1j1p s LYS 39 Ca -0.02 -0.81 -0.05 0.00 -0.36 0.00 0.00 55.97 54.73 1j1p s LYS 39 Cb -0.07 -2.59 -0.02 0.00 -1.51 0.00 0.00 37.83 33.64 1j1p s LYS 39 CO 0.00 -0.16 0.80 -0.06 -0.36 0.00 0.00 175.35 175.57 1j1p s PHE 40 N 1.20 3.44 0.44 4.03 0.08 0.19 -1.13 117.98 126.24 1j1p s PHE 40 Ca 0.03 0.69 -0.26 0.00 0.12 0.00 0.00 56.93 57.51 1j1p s PHE 40 Cb -0.14 -2.41 -0.09 0.00 -0.57 0.00 0.00 43.02 39.82 1j1p s PHE 40 CO -0.10 -0.42 1.44 -2.30 -0.10 0.00 0.00 175.22 173.74 1j1p n PRO 41 N -2.32 2.29 -0.05 0.24 -0.02 -1.26 -2.96 135.00 130.92 1j1p n PRO 41 Ca 0.02 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1j1p n PRO 41 Cb 0.56 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1j1p n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j1p n GLY 42 N 0.57 0.97 3.67 -1.23 0.00 -1.26 -4.47 105.19 103.44 1j1p n GLY 42 Ca 0.05 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1j1p n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1j1p n ASN 43 N 0.07 -5.05 -4.34 1.61 3.02 -1.16 -4.98 115.26 104.43 1j1p n ASN 43 Ca 0.00 -0.64 -0.37 0.00 -0.03 0.00 0.00 54.58 53.54 1j1p n ASN 43 Cb 0.00 -4.66 -0.13 0.00 -0.61 0.00 0.00 39.78 34.38 1j1p n ASN 43 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1j1p s ARG 44 N -6.26 3.11 -0.04 3.52 3.52 -1.21 -4.98 118.95 116.61 1j1p s ARG 44 Ca 0.49 -0.85 -0.10 0.00 -0.13 0.00 0.00 55.73 55.15 1j1p s ARG 44 Cb -0.23 -3.36 -0.05 0.00 -1.56 0.00 0.00 34.95 29.75 1j1p s ARG 44 CO 0.76 -0.43 0.27 -0.51 -0.81 0.00 0.00 175.30 174.58 1j1p s LEU 45 N 1.50 4.41 -0.06 -0.88 1.43 -1.26 -0.64 118.68 123.19 1j1p s LEU 45 Ca 0.03 0.68 0.01 0.00 -1.03 0.00 0.00 54.13 53.81 1j1p s LEU 45 Cb -0.17 -2.41 0.02 0.00 0.03 0.00 0.00 46.19 43.66 1j1p s LEU 45 CO 0.02 0.34 -0.05 -0.70 0.23 0.00 0.00 176.35 176.20 1j1p s GLU 46 N -1.23 0.92 -0.36 1.70 2.12 -0.09 -5.00 118.70 116.75 1j1p s GLU 46 Ca 0.21 -0.11 -0.25 0.00 0.36 0.00 0.00 54.97 55.18 1j1p s GLU 46 Cb -0.14 -0.97 0.01 0.00 0.26 0.00 0.00 34.13 33.29 1j1p s GLU 46 CO 0.10 -0.13 0.90 -0.47 -0.54 0.00 0.00 175.26 175.13 1j1p s TYR 47 N 1.15 3.09 -0.02 5.30 6.14 -1.26 -1.48 117.35 130.27 1j1p s TYR 47 Ca -0.07 0.75 -0.21 0.00 0.64 0.00 0.00 57.07 58.18 1j1p s TYR 47 Cb -0.14 -3.58 -0.28 0.00 0.42 0.00 0.00 41.96 38.38 1j1p s TYR 47 CO -0.01 -0.80 1.00 0.52 0.64 0.00 0.00 175.55 176.90 1j1p h MET 48 N 8.45 0.37 0.00 4.97 2.86 -1.55 -3.41 114.93 126.62 1j1p h MET 48 Ca -0.23 -0.50 0.00 0.00 -2.06 0.00 0.00 59.70 56.90 1j1p h MET 48 Cb 1.08 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.91 1j1p h MET 48 CO 0.97 1.19 0.00 0.41 1.06 0.00 0.00 176.91 180.53 1j1p n GLY 49 N 1.38 -0.08 3.28 8.32 0.00 -1.17 -1.03 105.19 115.90 1j1p n GLY 49 Ca -0.12 -1.21 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 1j1p n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1j1p s TYR 50 N -2.00 -0.10 -0.12 1.61 1.13 -0.64 -1.64 117.35 115.60 1j1p s TYR 50 Ca 0.00 -0.23 0.03 0.00 -1.41 0.00 0.00 57.07 55.46 1j1p s TYR 50 Cb 0.00 0.16 0.00 0.00 -1.10 0.00 0.00 41.96 41.03 1j1p s TYR 50 CO 0.00 -0.64 -0.23 0.54 -2.51 0.00 0.00 175.55 172.71 1j1p s VAL 51 N -3.73 2.04 0.54 -3.49 0.11 0.12 -1.67 120.40 114.33 1j1p s VAL 51 Ca 0.03 -0.99 0.06 0.00 -2.93 0.00 0.00 61.98 58.15 1j1p s VAL 51 Cb 0.03 -1.79 0.06 0.00 -1.53 0.00 0.00 36.38 33.15 1j1p s VAL 51 CO -0.11 0.55 0.75 -0.94 -3.33 0.00 0.00 175.10 172.02 1j1p s SER 52 N 0.57 5.19 0.48 3.54 1.04 -0.48 -1.13 113.70 122.92 1j1p s SER 52 Ca -0.13 -0.47 0.26 0.00 0.48 0.00 0.00 55.95 56.08 1j1p s SER 52 Cb -0.17 -0.29 1.31 0.00 0.10 0.00 0.00 66.02 66.97 1j1p s SER 52 CO 0.04 -1.20 1.84 0.10 0.98 0.00 0.00 173.24 175.00 1j1p h TYR 53 N 0.19 0.28 0.00 5.02 -0.00 -1.89 0.45 116.97 121.02 1j1p h TYR 53 Ca -0.36 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.37 1j1p h TYR 53 Cb 1.28 -0.08 0.00 0.00 -0.00 0.00 0.00 36.73 37.93 1j1p h TYR 53 CO 0.31 0.05 0.00 -1.13 -0.00 0.00 0.00 178.16 177.39 1j1p n SER 54 N -4.40 0.19 0.00 0.10 3.41 -1.26 -4.87 113.62 106.79 1j1p n SER 54 Ca 0.21 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 1j1p n SER 54 Cb 0.91 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1j1p n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j1p n GLY 55 N 1.31 0.26 3.77 5.00 0.00 0.15 -5.06 105.19 110.62 1j1p n GLY 55 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1j1p n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j1p s SER 56 N -2.31 6.19 0.19 1.61 1.04 -1.26 -4.77 113.70 114.39 1j1p s SER 56 Ca 0.00 2.43 0.10 0.00 0.48 0.00 0.00 55.95 58.96 1j1p s SER 56 Cb 0.00 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 1j1p s SER 56 CO 0.00 -0.91 -0.22 0.42 0.98 0.00 0.00 173.24 173.51 1j1p s THR 57 N -1.43 2.16 -0.10 2.02 -4.23 -1.26 -1.38 115.64 111.42 1j1p s THR 57 Ca 0.61 -2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 59.11 1j1p s THR 57 Cb -0.32 -2.03 0.03 0.00 1.34 0.00 0.00 72.50 71.52 1j1p s THR 57 CO 0.40 -0.21 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.91 1j1p s TYR 58 N -1.87 1.17 0.01 3.99 2.02 -0.67 -5.01 117.35 117.00 1j1p s TYR 58 Ca 0.19 -0.52 0.07 0.00 -0.37 0.00 0.00 57.07 56.44 1j1p s TYR 58 Cb -0.07 -1.06 -0.03 0.00 -0.40 0.00 0.00 41.96 40.40 1j1p s TYR 58 CO 0.09 -0.44 -0.20 0.71 -1.57 0.00 0.00 175.55 174.14 1j1p s TYR 59 N 1.78 2.51 0.01 2.71 2.02 -1.26 -1.62 117.35 123.50 1j1p s TYR 59 Ca 0.04 -0.29 -0.30 0.00 -0.37 0.00 0.00 57.07 56.15 1j1p s TYR 59 Cb -0.12 -1.49 -0.06 0.00 -0.40 0.00 0.00 41.96 39.89 1j1p s TYR 59 CO -0.07 0.17 1.42 1.21 -1.57 0.00 0.00 175.55 176.71 1j1p s ASN 60 N -1.12 6.83 0.65 2.29 3.84 -0.19 -4.87 114.94 122.36 1j1p s ASN 60 Ca 0.13 2.15 0.33 0.00 0.21 0.00 0.00 52.86 55.68 1j1p s ASN 60 Cb -0.10 -2.56 1.82 0.00 -0.55 0.00 0.00 41.25 39.86 1j1p s ASN 60 CO 0.03 -0.73 2.06 -0.65 -2.79 0.00 0.00 177.10 175.02 1j1p h PRO 61 N 7.83 0.00 0.00 0.43 0.11 -1.94 -0.89 132.00 137.53 1j1p h PRO 61 Ca -0.38 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 1j1p h PRO 61 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1j1p h PRO 61 CO 0.90 0.00 -0.03 0.66 -0.21 0.00 0.00 178.00 179.32 1j1p h SER 62 N 0.00 0.00 -0.02 -2.05 4.64 -1.97 -1.35 113.55 112.80 1j1p h SER 62 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1j1p h SER 62 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1j1p h SER 62 CO -0.00 0.03 0.00 0.18 -0.87 0.00 0.00 176.83 176.17 1j1p n LEU 63 N -3.67 0.49 -3.88 5.97 4.77 -0.34 -4.92 117.00 115.42 1j1p n LEU 63 Ca -0.03 -0.18 -0.31 0.00 -0.03 0.00 0.00 56.01 55.47 1j1p n LEU 63 Cb 0.13 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1j1p n LEU 63 CO 0.27 0.09 -0.00 0.29 -1.33 0.00 0.00 177.39 176.71 1j1p n LYS 64 N -0.57 -3.69 -3.20 3.23 4.76 -0.51 -1.88 118.16 116.30 1j1p n LYS 64 Ca 0.20 0.44 -0.23 0.00 -2.87 0.00 0.00 58.31 55.85 1j1p n LYS 64 Cb 0.17 -5.20 0.05 0.00 -1.84 0.00 0.00 35.03 28.21 1j1p n LYS 64 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1j1p n SER 65 N -2.56 -6.24 -0.81 4.39 2.88 -1.26 -4.88 113.62 105.15 1j1p n SER 65 Ca 0.04 -0.37 0.10 0.00 -1.33 0.00 0.00 58.87 57.32 1j1p n SER 65 Cb 0.51 -4.99 0.09 0.00 -0.75 0.00 0.00 64.21 59.07 1j1p n SER 65 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1j1p n ARG 66 N -4.34 1.81 -4.18 -1.46 1.74 -0.79 -4.99 116.66 104.45 1j1p n ARG 66 Ca -0.07 -1.71 -0.33 0.00 -0.77 0.00 0.00 57.85 54.96 1j1p n ARG 66 Cb 0.60 -1.39 -0.08 0.00 -1.02 0.00 0.00 32.46 30.58 1j1p n ARG 66 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1j1p s ILE 67 N -1.66 4.52 -0.02 0.55 2.07 -1.26 -0.55 121.20 124.84 1j1p s ILE 67 Ca 0.24 -0.45 0.00 0.00 -1.41 0.00 0.00 60.65 59.03 1j1p s ILE 67 Cb 0.17 -3.04 0.02 0.00 0.13 0.00 0.00 42.46 39.75 1j1p s ILE 67 CO 0.25 0.38 0.00 -0.55 -1.91 0.00 0.00 174.94 173.12 1j1p s SER 68 N -1.60 0.35 -0.15 4.50 0.15 -0.35 -5.00 113.70 111.61 1j1p s SER 68 Ca 0.21 -0.02 0.01 0.00 0.70 0.00 0.00 55.95 56.85 1j1p s SER 68 Cb -0.12 -0.17 0.02 0.00 -1.71 0.00 0.00 66.02 64.04 1j1p s SER 68 CO 0.12 -0.08 -0.17 -0.63 1.20 0.00 0.00 173.24 173.67 1j1p s ILE 69 N 0.86 1.78 0.32 6.45 1.01 -1.26 -0.87 121.20 129.50 1j1p s ILE 69 Ca -0.08 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.82 1j1p s ILE 69 Cb -0.12 -1.63 -0.06 0.00 0.01 0.00 0.00 42.46 40.67 1j1p s ILE 69 CO -0.02 0.49 0.07 0.42 0.00 0.00 0.00 174.94 175.91 1j1p s THR 70 N 1.23 1.02 0.12 2.92 -4.23 -1.06 -4.95 115.64 110.69 1j1p s THR 70 Ca 0.01 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.56 1j1p s THR 70 Cb -0.14 -2.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.93 1j1p s THR 70 CO -0.08 0.00 -0.10 -0.13 -0.54 0.00 0.00 174.62 173.77 1j1p s ARG 71 N -3.91 0.93 -0.27 3.99 0.52 -1.26 0.10 118.95 119.05 1j1p s ARG 71 Ca 0.36 -1.30 -0.04 0.00 -0.52 0.00 0.00 55.73 54.23 1j1p s ARG 71 Cb 0.08 -0.53 0.09 0.00 0.52 0.00 0.00 34.95 35.12 1j1p s ARG 71 CO 0.15 0.07 0.12 0.34 0.02 0.00 0.00 175.30 176.00 1j1p s ASP 72 N -2.82 3.41 0.11 0.23 -1.08 0.04 -4.98 116.67 111.58 1j1p s ASP 72 Ca 0.11 -1.22 -0.19 0.00 -0.52 0.00 0.00 52.55 50.73 1j1p s ASP 72 Cb 0.00 -0.38 -0.06 0.00 -1.46 0.00 0.00 42.92 41.03 1j1p s ASP 72 CO -0.00 -0.42 1.71 0.74 0.52 0.00 0.00 175.17 177.71 1j1p h THR 73 N 6.42 1.12 -0.52 1.71 2.02 -1.97 -0.39 112.91 121.30 1j1p h THR 73 Ca -0.19 -0.32 0.15 0.00 0.77 0.00 0.00 66.41 66.82 1j1p h THR 73 Cb 1.03 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 1j1p h THR 73 CO 0.42 0.12 0.37 0.77 0.37 0.00 0.00 175.52 177.57 1j1p h SER 74 N 0.28 0.00 -0.02 4.18 4.64 -1.95 -0.38 113.55 120.30 1j1p h SER 74 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1j1p h SER 74 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1j1p h SER 74 CO -0.01 0.00 -0.16 0.29 -0.87 0.00 0.00 176.83 176.08 1j1p n LYS 75 N -4.37 1.55 -3.81 4.77 5.02 -1.09 -4.99 118.16 115.24 1j1p n LYS 75 Ca 0.09 -1.25 -0.25 0.00 -2.02 0.00 0.00 58.31 54.89 1j1p n LYS 75 Cb 0.59 -1.33 0.01 0.00 -0.02 0.00 0.00 35.03 34.29 1j1p n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1j1p n ASN 76 N 0.52 -1.54 -4.05 4.39 4.05 -0.15 -4.83 115.26 113.65 1j1p n ASN 76 Ca 0.09 -0.94 -0.08 0.00 0.45 0.00 0.00 54.58 54.10 1j1p n ASN 76 Cb 0.41 -3.48 -0.10 0.00 1.23 0.00 0.00 39.78 37.83 1j1p n ASN 76 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1j1p s GLN 77 N -6.22 0.51 0.16 1.20 -0.21 -0.90 -1.84 119.66 112.35 1j1p s GLN 77 Ca 0.09 -1.00 0.04 0.00 0.02 0.00 0.00 55.36 54.50 1j1p s GLN 77 Cb -0.03 0.18 -0.05 0.00 1.00 0.00 0.00 33.01 34.11 1j1p s GLN 77 CO 0.86 -0.09 -0.06 1.52 -2.12 0.00 0.00 175.29 175.39 1j1p s TYR 78 N -3.05 1.28 0.22 0.91 1.13 -0.81 -0.78 117.35 116.25 1j1p s TYR 78 Ca -0.01 -0.84 0.03 0.00 -1.41 0.00 0.00 57.07 54.84 1j1p s TYR 78 Cb 0.02 -0.69 -0.05 0.00 -1.10 0.00 0.00 41.96 40.14 1j1p s TYR 78 CO -0.07 -0.01 -0.00 0.71 -2.51 0.00 0.00 175.55 173.67 1j1p s TYR 79 N -3.42 1.49 -0.08 -3.49 2.02 0.12 -1.24 117.35 112.74 1j1p s TYR 79 Ca 0.20 -0.95 0.01 0.00 -0.37 0.00 0.00 57.07 55.96 1j1p s TYR 79 Cb 0.04 -0.86 0.02 0.00 -0.40 0.00 0.00 41.96 40.76 1j1p s TYR 79 CO 0.02 -0.08 -0.09 -1.17 -1.57 0.00 0.00 175.55 172.66 1j1p s LEU 80 N -3.28 1.37 -0.07 -1.29 2.96 -0.59 -2.56 118.68 115.21 1j1p s LEU 80 Ca 0.28 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 1j1p s LEU 80 Cb 0.06 -0.76 -0.00 0.00 0.50 0.00 0.00 46.19 45.98 1j1p s LEU 80 CO 0.08 -0.05 -0.22 -1.81 -1.32 0.00 0.00 176.35 173.03 1j1p s ASP 81 N 1.18 2.76 -0.20 3.68 1.01 -0.05 -0.98 116.67 124.07 1j1p s ASP 81 Ca -0.05 -0.48 -0.02 0.00 0.71 0.00 0.00 52.55 52.71 1j1p s ASP 81 Cb -0.14 -1.04 0.06 0.00 1.01 0.00 0.00 42.92 42.81 1j1p s ASP 81 CO -0.02 0.17 0.01 -0.22 0.21 0.00 0.00 175.17 175.31 1j1p s LEU 82 N 0.19 1.59 0.54 1.23 2.96 0.77 -1.21 118.68 124.76 1j1p s LEU 82 Ca -0.12 -0.90 -0.13 0.00 -0.22 0.00 0.00 54.13 52.76 1j1p s LEU 82 Cb -0.15 -0.78 -0.06 0.00 0.50 0.00 0.00 46.19 45.70 1j1p s LEU 82 CO 0.06 -0.28 0.97 0.20 -1.32 0.00 0.00 176.35 175.98 1j1p s ASN 83 N 1.72 6.44 -1.29 3.68 0.01 0.29 -0.40 114.94 125.39 1j1p s ASN 83 Ca -0.02 1.44 -0.22 0.00 -0.71 0.00 0.00 52.86 53.35 1j1p s ASN 83 Cb -0.17 -2.47 0.02 0.00 0.41 0.00 0.00 41.25 39.04 1j1p s ASN 83 CO -0.07 -0.68 0.54 -1.20 -1.51 0.00 0.00 177.10 174.17 1j1p n SER 84 N -2.04 -2.92 -4.75 -1.22 7.64 -1.03 -4.91 113.62 104.39 1j1p n SER 84 Ca 0.06 -1.23 -0.32 0.00 1.01 0.00 0.00 58.87 58.39 1j1p n SER 84 Cb 0.54 -2.06 0.09 0.00 -1.01 0.00 0.00 64.21 61.77 1j1p n SER 84 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1j1p s VAL 85 N -3.74 2.98 0.32 0.44 -7.23 -0.80 -4.57 120.40 107.81 1j1p s VAL 85 Ca 0.35 0.38 0.04 0.00 -1.81 0.00 0.00 61.98 60.93 1j1p s VAL 85 Cb -0.18 -2.82 -0.04 0.00 0.56 0.00 0.00 36.38 33.91 1j1p s VAL 85 CO 0.95 -0.36 0.16 0.42 -0.31 0.00 0.00 175.10 175.97 1j1p s THR 86 N -2.57 0.39 0.59 5.32 -4.23 -1.26 0.02 115.64 113.90 1j1p s THR 86 Ca 0.65 -2.00 0.39 0.00 -1.18 0.00 0.00 61.69 59.55 1j1p s THR 86 Cb -0.21 -2.50 0.39 0.00 1.34 0.00 0.00 72.50 71.52 1j1p s THR 86 CO 0.50 0.00 2.18 0.71 -0.54 0.00 0.00 174.62 177.47 1j1p h THR 87 N 2.13 0.00 0.00 3.99 1.35 -1.98 0.17 112.91 118.58 1j1p h THR 87 Ca -0.34 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1j1p h THR 87 Cb 1.25 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1j1p h THR 87 CO 0.52 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.17 1j1p n GLU 88 N -2.95 0.03 -0.12 4.72 -0.58 -1.26 -2.47 120.64 118.01 1j1p n GLU 88 Ca -0.03 0.18 0.12 0.00 -0.42 0.00 0.00 57.16 57.01 1j1p n GLU 88 Cb 0.16 -1.50 0.26 0.00 -0.57 0.00 0.00 31.44 29.79 1j1p n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1j1p n ASP 89 N -1.48 2.76 -4.70 1.62 8.00 0.61 -4.89 116.55 118.46 1j1p n ASP 89 Ca 0.05 -1.89 -0.42 0.00 0.71 0.00 0.00 54.79 53.24 1j1p n ASP 89 Cb 0.21 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 1j1p n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1j1p s THR 90 N -1.69 3.40 -0.06 -3.53 2.01 -1.03 -4.83 115.64 109.90 1j1p s THR 90 Ca 0.35 0.90 -0.31 0.00 0.31 0.00 0.00 61.69 62.94 1j1p s THR 90 Cb 0.21 -3.58 0.12 0.00 0.01 0.00 0.00 72.50 69.26 1j1p s THR 90 CO 0.30 0.03 1.37 0.00 -0.69 0.00 0.00 174.62 175.62 1j1p s ALA 91 N 1.93 -2.50 -0.26 7.40 0.00 -0.85 -4.61 121.76 122.87 1j1p s ALA 91 Ca 0.66 0.58 -0.14 0.00 0.00 0.00 0.00 51.96 53.06 1j1p s ALA 91 Cb -0.35 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 1j1p s ALA 91 CO 0.29 -1.10 0.34 0.99 0.00 0.00 0.00 175.76 176.28 1j1p s THR 92 N -2.11 5.21 -0.17 0.00 2.01 -0.29 -1.24 115.64 119.05 1j1p s THR 92 Ca 0.21 0.52 -0.09 0.00 0.31 0.00 0.00 61.69 62.63 1j1p s THR 92 Cb 0.04 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 1j1p s THR 92 CO -0.04 0.20 0.14 -0.31 -0.69 0.00 0.00 174.62 173.91 1j1p s TYR 93 N 1.85 3.48 0.05 4.92 1.51 0.32 -0.54 117.35 128.93 1j1p s TYR 93 Ca 0.14 0.41 0.07 0.00 -1.01 0.00 0.00 57.07 56.68 1j1p s TYR 93 Cb -0.15 -2.09 -0.02 0.00 -0.11 0.00 0.00 41.96 39.58 1j1p s TYR 93 CO 0.09 0.44 -0.19 0.71 -1.11 0.00 0.00 175.55 175.50 1j1p s TYR 94 N -0.11 1.63 0.06 2.71 1.51 0.69 -0.75 117.35 123.09 1j1p s TYR 94 Ca 0.11 -0.37 0.05 0.00 -1.01 0.00 0.00 57.07 55.85 1j1p s TYR 94 Cb -0.11 -0.96 -0.04 0.00 -0.11 0.00 0.00 41.96 40.74 1j1p s TYR 94 CO 0.00 0.08 -0.07 0.00 -1.11 0.00 0.00 175.55 174.45 1j1p s ALA 96 N -1.14 -1.60 0.64 0.00 0.00 -0.93 -0.67 121.76 118.05 1j1p s ALA 96 Ca 0.20 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 52.69 1j1p s ALA 96 Cb -0.11 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 1j1p s ALA 96 CO 0.12 -0.67 1.04 0.54 0.00 0.00 0.00 175.76 176.78 1j1p s ASN 97 N -2.40 5.95 0.31 0.00 6.03 -0.65 -0.71 114.94 123.46 1j1p s ASN 97 Ca -0.02 1.51 0.06 0.00 -1.03 0.00 0.00 52.86 53.39 1j1p s ASN 97 Cb -0.01 -2.48 0.75 0.00 -3.03 0.00 0.00 41.25 36.48 1j1p s ASN 97 CO -0.08 -1.06 1.78 -0.25 -2.03 0.00 0.00 177.10 175.46 1j1p h TRP 98 N -0.34 1.06 0.00 1.54 7.01 -1.54 -0.81 115.95 122.87 1j1p h TRP 98 Ca -0.44 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 60.56 1j1p h TRP 98 Cb 1.20 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 27.93 1j1p h TRP 98 CO 0.64 0.23 -0.16 -0.44 -2.79 0.00 0.00 178.44 175.92 1j1p h ASP 99 N 0.75 0.00 0.00 2.65 3.32 -1.92 -3.47 116.42 117.76 1j1p h ASP 99 Ca 0.58 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.63 1j1p h ASP 99 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1j1p h ASP 99 CO -0.38 0.16 0.00 0.61 -1.72 0.00 0.00 179.24 177.92 1j1p n GLY 100 N -0.46 0.74 0.09 2.75 0.00 -0.31 -4.95 105.19 103.06 1j1p n GLY 100 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1j1p n GLY 100 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1j1p h ASP 101 N 0.00 0.25 -3.26 1.61 3.32 -1.90 -3.45 116.42 112.99 1j1p h ASP 101 Ca 0.00 -0.26 -0.67 0.00 0.02 0.00 0.00 57.03 56.12 1j1p h ASP 101 Cb 0.00 -0.08 -0.32 0.00 0.22 0.00 0.00 39.33 39.15 1j1p h ASP 101 CO 0.00 1.18 -0.84 -0.31 -1.72 0.00 0.00 179.24 177.55 1j1p s TYR 102 N -2.75 2.69 0.10 4.55 2.02 -1.26 -5.04 117.35 117.66 1j1p s TYR 102 Ca -0.02 -1.13 0.06 0.00 -0.37 0.00 0.00 57.07 55.61 1j1p s TYR 102 Cb 0.08 -1.82 -0.03 0.00 -0.40 0.00 0.00 41.96 39.79 1j1p s TYR 102 CO 0.85 -0.50 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.61 1j1p s TRP 103 N 0.67 1.35 0.92 2.71 0.52 -1.26 -1.64 118.94 122.21 1j1p s TRP 103 Ca -0.09 -0.51 -0.13 0.00 0.02 0.00 0.00 56.10 55.39 1j1p s TRP 103 Cb -0.16 -0.73 0.20 0.00 -1.15 0.00 0.00 33.47 31.62 1j1p s TRP 103 CO 0.02 0.11 1.26 0.20 0.02 0.00 0.00 176.95 178.56 1j1p s GLY 104 N -2.12 1.79 0.22 0.98 0.00 0.15 -4.51 107.32 103.84 1j1p s GLY 104 Ca 0.04 -1.39 0.26 0.00 0.00 0.00 0.00 44.72 43.63 1j1p s GLY 104 CO 0.03 -0.64 1.76 0.61 0.00 0.00 0.00 173.10 174.86 1j1p n GLN 105 N -3.59 0.26 0.00 2.90 10.64 -1.26 -4.82 117.38 121.51 1j1p n GLN 105 Ca 0.16 0.26 0.00 0.00 -1.83 0.00 0.00 57.00 55.59 1j1p n GLN 105 Cb 0.60 -1.83 0.00 0.00 -0.86 0.00 0.00 30.24 28.15 1j1p n GLN 105 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1j1p n GLY 106 N 1.07 -0.82 2.77 2.61 0.00 -1.26 -5.05 105.19 104.51 1j1p n GLY 106 Ca 0.05 -1.41 -0.16 0.00 0.00 0.00 0.00 46.02 44.50 1j1p n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j1p s THR 107 N -2.44 -0.08 0.02 2.61 -1.32 0.07 -4.93 115.64 109.57 1j1p s THR 107 Ca 0.00 0.27 -0.30 0.00 -1.21 0.00 0.00 61.69 60.45 1j1p s THR 107 Cb 0.00 -0.13 -0.04 0.00 -1.51 0.00 0.00 72.50 70.82 1j1p s THR 107 CO 0.00 0.11 1.04 -0.22 -2.21 0.00 0.00 174.62 173.34 1j1p s LEU 108 N 1.41 4.37 -0.13 9.08 2.96 -1.26 -0.52 118.68 134.58 1j1p s LEU 108 Ca -0.05 1.76 0.01 0.00 -0.22 0.00 0.00 54.13 55.63 1j1p s LEU 108 Cb -0.13 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.01 1j1p s LEU 108 CO -0.04 -0.32 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.83 1j1p s VAL 109 N 1.02 1.61 -0.16 1.68 1.01 -0.37 -4.60 120.40 120.58 1j1p s VAL 109 Ca 0.54 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 1j1p s VAL 109 Cb -0.23 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1j1p s VAL 109 CO 0.28 0.46 -0.03 -0.89 0.00 0.00 0.00 175.10 174.93 1j1p s THR 110 N 1.21 3.94 -0.34 3.92 2.01 -0.01 -2.00 115.64 124.37 1j1p s THR 110 Ca -0.01 -0.34 -0.12 0.00 0.31 0.00 0.00 61.69 61.53 1j1p s THR 110 Cb -0.14 -2.73 -0.01 0.00 0.01 0.00 0.00 72.50 69.63 1j1p s THR 110 CO -0.06 0.49 0.22 -0.69 -0.69 0.00 0.00 174.62 173.89 1j1p s VAL 111 N 0.38 5.02 -0.02 3.82 1.01 -1.26 -1.42 120.40 127.93 1j1p s VAL 111 Ca -0.04 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 61.39 1j1p s VAL 111 Cb -0.14 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.65 1j1p s VAL 111 CO 0.03 -0.04 0.36 -0.94 0.00 0.00 0.00 175.10 174.50 1j1p s SER 112 N 1.67 -0.25 0.47 3.32 1.04 -0.55 -4.48 113.70 114.93 1j1p s SER 112 Ca 0.05 0.16 0.26 0.00 0.48 0.00 0.00 55.95 56.91 1j1p s SER 112 Cb -0.18 0.34 1.10 0.00 0.10 0.00 0.00 66.02 67.39 1j1p s SER 112 CO 0.09 -0.47 1.90 0.00 0.98 0.00 0.00 173.24 175.74 1j1p h ALA 113 N 3.73 1.07 -0.01 5.32 0.00 -1.96 -3.38 119.26 124.02 1j1p h ALA 113 Ca -0.29 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1j1p h ALA 113 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1j1p h ALA 113 CO 0.40 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.87