#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i84 s LEU 14 N 0.00 3.79 0.00 2.23 1.43 -1.26 -3.33 118.68 121.54 3i84 s LEU 14 Ca 0.00 2.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 3i84 s LEU 14 Cb 0.00 -4.46 0.00 0.00 0.03 0.00 0.00 46.19 41.76 3i84 s LEU 14 CO 0.00 -1.41 0.00 0.61 0.23 0.00 0.00 176.35 175.78 3i84 n GLY 15 N 0.51 0.67 3.95 -3.19 0.00 0.06 -4.95 105.19 102.24 3i84 n GLY 15 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 3i84 n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i84 s THR 16 N -2.68 2.79 0.08 2.61 -4.23 -1.21 -4.74 115.64 108.25 3i84 s THR 16 Ca 0.00 -0.46 -0.15 0.00 -1.18 0.00 0.00 61.69 59.90 3i84 s THR 16 Cb 0.00 -3.10 -0.06 0.00 1.34 0.00 0.00 72.50 70.68 3i84 s THR 16 CO 0.00 -0.08 0.49 -1.00 -0.54 0.00 0.00 174.62 173.49 3i84 s HIS 17 N -2.91 3.69 0.58 3.99 3.76 -1.26 -1.68 115.29 121.46 3i84 s HIS 17 Ca 0.57 1.06 -0.10 0.00 -0.15 0.00 0.00 55.06 56.44 3i84 s HIS 17 Cb -0.10 -2.35 0.15 0.00 1.11 0.00 0.00 32.58 31.38 3i84 s HIS 17 CO 0.41 0.54 0.48 0.41 -0.85 0.00 0.00 174.74 175.73 3i84 n GLY 18 N 1.34 -2.86 0.00 -2.22 0.00 -1.15 -4.99 105.19 95.32 3i84 n GLY 18 Ca -0.09 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.50 3i84 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i84 n GLY 24 N -1.21 -1.55 3.51 -0.02 0.00 -1.26 -5.14 105.19 99.53 3i84 n GLY 24 Ca 0.07 -1.46 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 3i84 n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i84 s THR 25 N -3.34 4.94 -0.07 2.61 2.01 -1.26 -5.02 115.64 115.52 3i84 s THR 25 Ca 0.00 -0.11 0.05 0.00 0.31 0.00 0.00 61.69 61.94 3i84 s THR 25 Cb 0.00 -3.42 -0.01 0.00 0.01 0.00 0.00 72.50 69.08 3i84 s THR 25 CO 0.00 0.18 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.18 3i84 s VAL 26 N 1.69 2.19 -0.09 3.82 1.01 -1.26 0.79 120.40 128.56 3i84 s VAL 26 Ca 0.06 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.04 3i84 s VAL 26 Cb -0.16 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 3i84 s VAL 26 CO 0.08 0.57 -0.09 -0.36 0.00 0.00 0.00 175.10 175.30 3i84 s PHE 27 N -0.04 2.89 0.24 5.22 0.40 0.40 -4.93 117.98 122.16 3i84 s PHE 27 Ca -0.07 -0.15 0.10 0.00 -0.60 0.00 0.00 56.93 56.21 3i84 s PHE 27 Cb -0.15 -1.75 -0.04 0.00 0.51 0.00 0.00 43.02 41.59 3i84 s PHE 27 CO 0.05 0.18 -0.08 0.95 0.70 0.00 0.00 175.22 177.02 3i84 s THR 28 N -0.46 3.15 0.06 0.64 -4.23 -1.26 -0.60 115.64 112.94 3i84 s THR 28 Ca 0.06 -1.96 -0.03 0.00 -1.18 0.00 0.00 61.69 58.59 3i84 s THR 28 Cb -0.12 -2.64 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 3i84 s THR 28 CO 0.02 -0.30 0.03 0.42 -0.54 0.00 0.00 174.62 174.25 3i84 s THR 29 N -2.18 0.20 -0.08 3.99 -4.23 -0.65 -4.99 115.64 107.69 3i84 s THR 29 Ca 0.29 -1.61 -0.00 0.00 -1.18 0.00 0.00 61.69 59.19 3i84 s THR 29 Cb -0.07 -1.44 0.02 0.00 1.34 0.00 0.00 72.50 72.36 3i84 s THR 29 CO 0.17 -0.89 -0.04 -0.69 -0.54 0.00 0.00 174.62 172.63 3i84 s VAL 30 N -3.84 0.68 -0.07 2.29 1.01 -1.26 -1.26 120.40 117.95 3i84 s VAL 30 Ca 0.06 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 61.96 3i84 s VAL 30 Cb 0.07 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.71 3i84 s VAL 30 CO -0.10 0.29 -0.18 -0.70 0.00 0.00 0.00 175.10 174.41 3i84 s GLU 31 N 1.54 2.19 -0.11 2.72 2.12 0.64 -4.97 118.70 122.84 3i84 s GLU 31 Ca -0.00 -0.65 -0.27 0.00 0.36 0.00 0.00 54.97 54.40 3i84 s GLU 31 Cb -0.13 -1.78 -0.02 0.00 0.26 0.00 0.00 34.13 32.47 3i84 s GLU 31 CO -0.04 0.17 0.91 0.34 -0.54 0.00 0.00 175.26 176.10 3i84 s ASP 32 N 0.31 7.13 0.00 -1.70 2.15 -1.26 0.27 116.67 123.57 3i84 s ASP 32 Ca -0.12 1.39 0.16 0.00 0.43 0.00 0.00 52.55 54.41 3i84 s ASP 32 Cb -0.15 -2.51 0.42 0.00 -0.30 0.00 0.00 42.92 40.38 3i84 s ASP 32 CO 0.05 -0.38 1.34 0.18 -0.17 0.00 0.00 175.17 176.20 3i84 n LEU 33 N 4.83 3.27 0.00 -1.34 4.77 0.12 -4.93 117.00 123.73 3i84 n LEU 33 Ca 0.06 -1.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.13 3i84 n LEU 33 Cb 0.49 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3i84 n LEU 33 CO 0.50 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.98 3i84 n GLY 34 N 0.99 0.95 0.01 -0.72 0.00 -1.26 -4.46 105.19 100.70 3i84 n GLY 34 Ca 0.16 -0.79 0.14 0.00 0.00 0.00 0.00 46.02 45.54 3i84 n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i84 n SER 35 N 0.00 0.09 -4.19 1.61 3.41 -1.26 -4.77 113.62 108.50 3i84 n SER 35 Ca 0.00 0.01 -0.14 0.00 -0.26 0.00 0.00 58.87 58.48 3i84 n SER 35 Cb 0.00 -0.30 -0.11 0.00 -0.26 0.00 0.00 64.21 63.54 3i84 n SER 35 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3i84 s LYS 36 N -2.73 0.89 -0.07 4.33 -0.14 -1.26 -1.66 119.74 119.11 3i84 s LYS 36 Ca 0.23 -1.24 0.04 0.00 -1.36 0.00 0.00 55.97 53.64 3i84 s LYS 36 Cb 0.20 -0.53 -0.02 0.00 -1.68 0.00 0.00 37.83 35.80 3i84 s LYS 36 CO 0.50 0.07 -0.19 0.42 -0.76 0.00 0.00 175.35 175.39 3i84 s ILE 37 N -2.75 2.63 -0.26 2.17 -1.09 0.37 0.13 121.20 122.40 3i84 s ILE 37 Ca 0.09 -0.86 -0.09 0.00 -2.23 0.00 0.00 60.65 57.55 3i84 s ILE 37 Cb -0.01 -2.02 -0.04 0.00 -1.58 0.00 0.00 42.46 38.81 3i84 s ILE 37 CO -0.00 0.57 0.14 -0.22 -1.23 0.00 0.00 174.94 174.19 3i84 s LEU 38 N -0.25 3.80 -0.14 2.97 2.96 0.14 -0.82 118.68 127.35 3i84 s LEU 38 Ca 0.00 -0.07 -0.09 0.00 -0.22 0.00 0.00 54.13 53.75 3i84 s LEU 38 Cb -0.13 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 3i84 s LEU 38 CO 0.03 -0.03 0.18 -0.76 -1.32 0.00 0.00 176.35 174.45 3i84 s LEU 39 N 1.61 4.33 0.05 -0.68 1.43 0.29 -0.26 118.68 125.45 3i84 s LEU 39 Ca 0.07 0.45 0.06 0.00 -1.03 0.00 0.00 54.13 53.68 3i84 s LEU 39 Cb -0.15 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 3i84 s LEU 39 CO 0.07 0.31 -0.16 -0.89 0.23 0.00 0.00 176.35 175.91 3i84 s THR 40 N -0.50 1.27 -0.01 5.49 2.01 -0.39 -0.29 115.64 123.23 3i84 s THR 40 Ca 0.14 -1.13 0.03 0.00 0.31 0.00 0.00 61.69 61.05 3i84 s THR 40 Cb -0.12 -1.15 -0.01 0.00 0.01 0.00 0.00 72.50 71.23 3i84 s THR 40 CO 0.03 0.01 -0.11 0.00 -0.69 0.00 0.00 174.62 173.86 3i84 s SER 42 N -0.29 1.41 -0.09 0.00 0.01 0.23 -0.83 113.70 114.16 3i84 s SER 42 Ca 0.04 -0.21 -0.18 0.00 1.31 0.00 0.00 55.95 56.91 3i84 s SER 42 Cb -0.04 -0.63 -0.05 0.00 0.21 0.00 0.00 66.02 65.51 3i84 s SER 42 CO -0.00 -0.03 0.50 -0.22 0.41 0.00 0.00 173.24 173.89 3i84 s LEU 43 N 0.93 4.32 -0.08 2.44 2.96 0.11 -0.46 118.68 128.91 3i84 s LEU 43 Ca -0.10 0.90 -0.25 0.00 -0.22 0.00 0.00 54.13 54.46 3i84 s LEU 43 Cb -0.15 -2.73 -0.27 0.00 0.50 0.00 0.00 46.19 43.54 3i84 s LEU 43 CO 0.01 0.05 0.90 -0.78 -1.32 0.00 0.00 176.35 175.20 3i84 h ASP 44 N 6.33 0.26 -0.54 3.68 3.58 0.04 -3.43 116.42 126.35 3i84 h ASP 44 Ca -0.43 -0.92 -0.33 0.00 0.42 0.00 0.00 57.03 55.77 3i84 h ASP 44 Cb 1.19 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 42.11 3i84 h ASP 44 CO 0.73 1.16 1.34 0.47 -2.88 0.00 0.00 179.24 180.05 3i84 n ASP 45 N -4.38 0.85 0.01 2.28 9.92 -1.26 -4.78 116.55 119.20 3i84 n ASP 45 Ca -0.11 -0.61 0.12 0.00 -0.53 0.00 0.00 54.79 53.65 3i84 n ASP 45 Cb 0.63 -1.21 0.15 0.00 -0.64 0.00 0.00 41.12 40.05 3i84 n ASP 45 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3i84 n SER 46 N 13.06 0.61 0.01 -2.24 7.64 -1.26 -4.06 113.62 127.38 3i84 n SER 46 Ca 0.53 -0.34 0.13 0.00 1.01 0.00 0.00 58.87 60.20 3i84 n SER 46 Cb 0.30 0.45 0.35 0.00 -1.01 0.00 0.00 64.21 64.30 3i84 n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i84 n ALA 47 N -1.57 3.13 -2.81 -0.43 0.00 -1.26 -4.86 120.51 112.70 3i84 n ALA 47 Ca 0.05 -0.26 -0.34 0.00 0.00 0.00 0.00 53.44 52.88 3i84 n ALA 47 Cb 0.36 -1.23 -0.11 0.00 0.00 0.00 0.00 19.45 18.47 3i84 n ALA 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i84 s THR 48 N -3.01 4.14 0.01 0.00 2.01 -1.26 -5.07 115.64 112.46 3i84 s THR 48 Ca 0.12 -0.29 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 3i84 s THR 48 Cb 0.18 -2.79 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 3i84 s THR 48 CO 0.65 0.54 1.34 -0.70 -0.69 0.00 0.00 174.62 175.76 3i84 s GLU 49 N -0.16 4.32 -0.08 4.92 2.12 -1.26 -5.01 118.70 123.55 3i84 s GLU 49 Ca 0.04 1.90 -0.17 0.00 0.36 0.00 0.00 54.97 57.11 3i84 s GLU 49 Cb -0.13 -3.51 -0.05 0.00 0.26 0.00 0.00 34.13 30.71 3i84 s GLU 49 CO 0.02 -0.50 0.44 0.08 -0.54 0.00 0.00 175.26 174.76 3i84 s VAL 50 N 2.06 5.14 -0.80 3.70 1.01 -1.26 -3.91 120.40 126.34 3i84 s VAL 50 Ca 0.62 0.89 0.11 0.00 0.00 0.00 0.00 61.98 63.60 3i84 s VAL 50 Cb -0.31 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 3i84 s VAL 50 CO 0.26 0.41 0.58 0.35 0.00 0.00 0.00 175.10 176.71 3i84 n THR 51 N 3.07 0.00 0.00 3.92 -2.24 0.35 -4.24 114.28 115.13 3i84 n THR 51 Ca -0.10 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 3i84 n THR 51 Cb 0.52 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 3i84 n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i84 n GLY 52 N 1.12 -0.76 3.09 3.38 0.00 -1.12 -3.67 105.19 107.24 3i84 n GLY 52 Ca 0.03 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 3i84 n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i84 s HIS 53 N -2.00 0.26 0.03 1.61 3.76 -0.81 -0.88 115.29 117.26 3i84 s HIS 53 Ca 0.00 -0.60 0.01 0.00 -0.15 0.00 0.00 55.06 54.33 3i84 s HIS 53 Cb 0.00 -0.19 -0.02 0.00 1.11 0.00 0.00 32.58 33.48 3i84 s HIS 53 CO 0.00 -0.34 -0.06 1.03 -0.85 0.00 0.00 174.74 174.52 3i84 s ARG 54 N -2.64 0.44 -0.05 1.40 0.52 -0.74 -0.97 118.95 116.90 3i84 s ARG 54 Ca -0.05 -0.64 0.06 0.00 -0.52 0.00 0.00 55.73 54.58 3i84 s ARG 54 Cb -0.01 -0.18 -0.01 0.00 0.52 0.00 0.00 34.95 35.27 3i84 s ARG 54 CO -0.05 0.03 -0.23 -1.58 0.02 0.00 0.00 175.30 173.49 3i84 s TRP 55 N -1.24 2.20 0.08 -0.53 0.52 -0.36 -1.04 118.94 118.56 3i84 s TRP 55 Ca -0.10 -0.64 0.07 0.00 0.02 0.00 0.00 56.10 55.45 3i84 s TRP 55 Cb -0.09 -1.45 -0.04 0.00 -1.15 0.00 0.00 33.47 30.74 3i84 s TRP 55 CO -0.00 -0.19 -0.15 -0.51 0.02 0.00 0.00 176.95 176.12 3i84 s LEU 56 N -0.13 2.80 -0.07 2.99 1.02 0.19 -0.90 118.68 124.57 3i84 s LEU 56 Ca -0.03 -0.44 0.02 0.00 0.02 0.00 0.00 54.13 53.70 3i84 s LEU 56 Cb -0.13 -1.63 0.01 0.00 0.02 0.00 0.00 46.19 44.46 3i84 s LEU 56 CO 0.03 0.21 -0.14 -0.75 0.02 0.00 0.00 176.35 175.72 3i84 s LYS 57 N -1.88 1.91 -1.48 1.70 2.20 -0.21 -1.34 119.74 120.64 3i84 s LYS 57 Ca 0.18 -0.48 -0.07 0.00 -0.36 0.00 0.00 55.97 55.24 3i84 s LYS 57 Cb -0.11 -1.56 0.02 0.00 -1.51 0.00 0.00 37.83 34.67 3i84 s LYS 57 CO 0.09 0.03 0.73 0.41 -0.36 0.00 0.00 175.35 176.25 3i84 n GLY 58 N 3.84 -0.52 2.98 5.54 0.00 0.00 -1.79 105.19 115.23 3i84 n GLY 58 Ca -0.22 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3i84 n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i84 n GLY 59 N -1.58 0.67 3.49 -0.02 0.00 -1.26 -5.01 105.19 101.48 3i84 n GLY 59 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 3i84 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i84 s VAL 60 N -2.90 3.66 -0.06 1.61 1.01 -0.74 -2.95 120.40 120.03 3i84 s VAL 60 Ca 0.00 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 3i84 s VAL 60 Cb 0.00 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 3i84 s VAL 60 CO 0.00 0.53 1.53 -0.69 0.00 0.00 0.00 175.10 176.47 3i84 s VAL 61 N 0.07 3.70 -0.07 2.92 1.01 -0.68 -1.04 120.40 126.32 3i84 s VAL 61 Ca -0.02 0.92 0.06 0.00 0.00 0.00 0.00 61.98 62.95 3i84 s VAL 61 Cb -0.14 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.55 3i84 s VAL 61 CO 0.03 -0.06 0.17 0.18 0.00 0.00 0.00 175.10 175.42 3i84 n LEU 62 N 6.60 0.06 -3.82 3.92 4.77 -0.08 -0.76 117.00 127.68 3i84 n LEU 62 Ca 0.16 -0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 3i84 n LEU 62 Cb 0.43 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.41 3i84 n LEU 62 CO 0.60 0.02 -0.15 -0.75 -1.33 0.00 0.00 177.39 175.78 3i84 s LYS 63 N -2.26 0.34 0.09 3.23 2.20 -1.09 -5.00 119.74 117.26 3i84 s LYS 63 Ca -0.01 0.01 -0.12 0.00 -0.36 0.00 0.00 55.97 55.49 3i84 s LYS 63 Cb 0.04 0.15 0.01 0.00 -1.51 0.00 0.00 37.83 36.53 3i84 s LYS 63 CO 0.26 -0.07 0.27 -1.83 -0.36 0.00 0.00 175.35 173.63 3i84 s GLU 64 N -0.49 0.91 0.18 4.03 -1.05 -1.26 -1.22 118.70 119.79 3i84 s GLU 64 Ca -0.06 -0.82 -0.09 0.00 -0.15 0.00 0.00 54.97 53.86 3i84 s GLU 64 Cb -0.04 0.38 -0.01 0.00 -0.44 0.00 0.00 34.13 34.03 3i84 s GLU 64 CO 0.01 -0.31 0.30 0.16 0.95 0.00 0.00 175.26 176.37 3i84 s ASP 65 N -2.73 0.03 -0.34 0.83 1.47 -0.15 -4.99 116.67 110.80 3i84 s ASP 65 Ca 0.03 -0.91 0.07 0.00 1.18 0.00 0.00 52.55 52.92 3i84 s ASP 65 Cb 0.03 0.45 0.48 0.00 -0.34 0.00 0.00 42.92 43.54 3i84 s ASP 65 CO -0.10 -0.92 1.44 0.00 0.68 0.00 0.00 175.17 176.27 3i84 n ALA 66 N -0.24 4.75 -2.70 2.11 0.00 -1.26 -1.92 120.51 121.25 3i84 n ALA 66 Ca -0.06 -3.39 -0.31 0.00 0.00 0.00 0.00 53.44 49.68 3i84 n ALA 66 Cb 0.63 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 19.31 3i84 n ALA 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3i84 s LEU 67 N -3.43 4.27 0.99 0.00 1.43 -1.24 -4.67 118.68 116.04 3i84 s LEU 67 Ca 0.49 0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 53.97 3i84 s LEU 67 Cb 0.42 -3.28 0.22 0.00 0.03 0.00 0.00 46.19 43.58 3i84 s LEU 67 CO 0.00 0.06 1.35 -2.16 0.23 0.00 0.00 176.35 175.83 3i84 s PRO 68 N -2.67 0.36 0.00 1.29 0.04 -1.26 -2.78 135.00 129.98 3i84 s PRO 68 Ca 0.40 -0.51 0.00 0.00 0.04 0.00 0.00 61.00 60.94 3i84 s PRO 68 Cb -0.12 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3i84 s PRO 68 CO 0.25 -2.59 0.00 0.41 0.04 0.00 0.00 177.00 175.11 3i84 n GLY 69 N -3.82 3.97 0.02 0.56 0.00 -1.26 -4.89 105.19 99.77 3i84 n GLY 69 Ca 0.17 -1.27 0.14 0.00 0.00 0.00 0.00 46.02 45.06 3i84 n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i84 n GLN 70 N -0.22 0.20 -5.13 1.61 1.13 -1.26 -4.78 117.38 108.93 3i84 n GLN 70 Ca 0.00 -0.04 -0.29 0.00 -1.94 0.00 0.00 57.00 54.73 3i84 n GLN 70 Cb 0.00 -1.50 -0.16 0.00 0.11 0.00 0.00 30.24 28.70 3i84 n GLN 70 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 3i84 s LYS 71 N -2.83 1.90 0.03 -1.09 2.20 -1.26 -0.71 119.74 117.98 3i84 s LYS 71 Ca 0.19 -0.91 0.01 0.00 -0.36 0.00 0.00 55.97 54.91 3i84 s LYS 71 Cb 0.19 -1.88 -0.02 0.00 -1.51 0.00 0.00 37.83 34.61 3i84 s LYS 71 CO 0.53 0.51 -0.06 -0.08 -0.36 0.00 0.00 175.35 175.89 3i84 s THR 72 N -0.62 0.39 0.06 3.43 -1.32 -0.01 -5.00 115.64 112.58 3i84 s THR 72 Ca 0.10 -1.04 0.04 0.00 -1.21 0.00 0.00 61.69 59.58 3i84 s THR 72 Cb -0.09 -0.50 -0.03 0.00 -1.51 0.00 0.00 72.50 70.36 3i84 s THR 72 CO -0.00 -0.44 -0.11 -1.61 -2.21 0.00 0.00 174.62 170.25 3i84 s GLU 73 N -1.58 0.70 -0.06 7.08 2.02 -1.26 -0.54 118.70 125.06 3i84 s GLU 73 Ca -0.12 -0.92 -0.02 0.00 0.02 0.00 0.00 54.97 53.93 3i84 s GLU 73 Cb -0.10 -0.54 0.04 0.00 0.10 0.00 0.00 34.13 33.63 3i84 s GLU 73 CO -0.00 0.11 0.12 0.12 0.02 0.00 0.00 175.26 175.62 3i84 s PHE 74 N -1.56 -0.10 -0.23 1.61 5.36 0.61 -4.99 117.98 118.67 3i84 s PHE 74 Ca -0.04 0.42 -0.09 0.00 -0.96 0.00 0.00 56.93 56.26 3i84 s PHE 74 Cb -0.09 -0.21 -0.04 0.00 -0.34 0.00 0.00 43.02 42.34 3i84 s PHE 74 CO 0.01 -0.18 0.12 0.15 -1.46 0.00 0.00 175.22 173.86 3i84 s LYS 75 N 1.57 3.95 0.05 10.12 1.02 -1.26 -0.55 119.74 134.65 3i84 s LYS 75 Ca -0.04 -0.34 0.08 0.00 0.02 0.00 0.00 55.97 55.69 3i84 s LYS 75 Cb -0.12 -3.44 -0.03 0.00 -0.52 0.00 0.00 37.83 33.72 3i84 s LYS 75 CO -0.05 0.03 -0.20 0.14 -0.92 0.00 0.00 175.35 174.35 3i84 s VAL 76 N 1.10 2.65 0.22 3.17 -7.23 -0.00 -4.92 120.40 115.39 3i84 s VAL 76 Ca 0.06 -1.29 -0.32 0.00 -1.81 0.00 0.00 61.98 58.62 3i84 s VAL 76 Cb -0.14 -2.12 -0.13 0.00 0.56 0.00 0.00 36.38 34.55 3i84 s VAL 76 CO 0.04 0.30 1.53 0.47 -0.31 0.00 0.00 175.10 177.14 3i84 n ASP 77 N 1.47 3.19 -0.27 4.85 10.43 -1.26 -0.48 116.55 134.48 3i84 n ASP 77 Ca -0.16 1.11 -0.02 0.00 2.57 0.00 0.00 54.79 58.29 3i84 n ASP 77 Cb 0.52 -1.47 0.10 0.00 1.84 0.00 0.00 41.12 42.11 3i84 n ASP 77 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 3i84 h SER 78 N 5.20 0.76 -0.64 -2.24 0.02 -1.62 -3.03 113.55 112.00 3i84 h SER 78 Ca -0.45 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 60.56 3i84 h SER 78 Cb 1.25 -0.16 -0.08 0.00 0.14 0.00 0.00 62.40 63.55 3i84 h SER 78 CO 0.83 0.52 -0.40 -0.78 -1.14 0.00 0.00 176.83 175.86 3i84 h ASP 79 N 0.91 -1.47 -0.68 3.07 -0.00 -1.90 -3.04 116.42 113.31 3i84 h ASP 79 Ca 0.31 0.22 -0.45 0.00 -0.00 0.00 0.00 57.03 57.12 3i84 h ASP 79 Cb 0.06 0.64 -0.27 0.00 -0.00 0.00 0.00 39.33 39.76 3i84 h ASP 79 CO -0.13 -0.17 -0.08 -0.67 -0.00 0.00 0.00 179.24 178.19 3i84 n ASP 80 N -4.54 4.65 0.14 2.28 -0.08 -1.20 -4.79 116.55 113.02 3i84 n ASP 80 Ca 0.01 -3.77 -0.01 0.00 -1.51 0.00 0.00 54.79 49.51 3i84 n ASP 80 Cb 0.18 -0.63 0.19 0.00 2.34 0.00 0.00 41.12 43.20 3i84 n ASP 80 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 3i84 h GLN 81 N 1.66 0.00 -6.20 -0.67 3.07 -1.41 -3.46 115.11 108.09 3i84 h GLN 81 Ca 0.39 0.00 -0.71 0.00 0.09 0.00 0.00 58.65 58.42 3i84 h GLN 81 Cb 1.46 0.00 0.05 0.00 0.08 0.00 0.00 27.48 29.06 3i84 h GLN 81 CO 0.84 0.60 0.44 1.87 0.09 0.00 0.00 178.83 182.67 3i84 n TRP 82 N -3.82 1.43 -1.52 0.06 -0.00 -1.26 -4.85 117.44 107.48 3i84 n TRP 82 Ca -0.01 0.71 0.00 0.00 -0.00 0.00 0.00 57.50 58.20 3i84 n TRP 82 Cb 0.60 -2.30 0.00 0.00 -0.00 0.00 0.00 31.31 29.61 3i84 n TRP 82 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3i84 n GLY 83 N 2.57 0.12 3.39 5.87 0.00 -1.26 -5.08 105.19 110.80 3i84 n GLY 83 Ca 0.20 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 3i84 n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i84 s GLU 84 N -2.00 3.48 0.17 1.61 2.12 -1.26 -5.02 118.70 117.80 3i84 s GLU 84 Ca 0.00 -0.61 0.08 0.00 0.36 0.00 0.00 54.97 54.81 3i84 s GLU 84 Cb 0.00 -2.86 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 3i84 s GLU 84 CO 0.00 0.07 -0.08 0.71 -0.54 0.00 0.00 175.26 175.42 3i84 s TYR 85 N 0.77 2.68 0.02 5.30 1.51 -1.26 -0.82 117.35 125.55 3i84 s TYR 85 Ca -0.03 -0.20 0.00 0.00 -1.01 0.00 0.00 57.07 55.84 3i84 s TYR 85 Cb -0.15 -1.32 -0.02 0.00 -0.11 0.00 0.00 41.96 40.37 3i84 s TYR 85 CO 0.02 0.50 -0.03 -1.12 -1.11 0.00 0.00 175.55 173.81 3i84 s SER 86 N -2.78 0.31 0.17 2.29 0.01 -0.45 -4.97 113.70 108.27 3i84 s SER 86 Ca 0.25 -0.38 0.11 0.00 1.31 0.00 0.00 55.95 57.24 3i84 s SER 86 Cb -0.09 0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.15 3i84 s SER 86 CO 0.16 -0.20 -0.25 0.00 0.41 0.00 0.00 173.24 173.36 3i84 s VAL 88 N -1.46 -0.02 -0.15 0.00 1.01 -0.21 -4.98 120.40 114.59 3i84 s VAL 88 Ca 0.18 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.26 3i84 s VAL 88 Cb -0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 3i84 s VAL 88 CO 0.08 0.07 -0.02 -0.36 0.00 0.00 0.00 175.10 174.87 3i84 s PHE 89 N 0.73 3.06 -0.13 5.22 0.40 -1.26 -1.79 117.98 124.21 3i84 s PHE 89 Ca -0.06 -0.20 -0.04 0.00 -0.60 0.00 0.00 56.93 56.02 3i84 s PHE 89 Cb -0.09 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.46 3i84 s PHE 89 CO -0.02 0.04 0.03 -0.51 0.70 0.00 0.00 175.22 175.46 3i84 s LEU 90 N 0.21 3.70 0.00 -0.37 2.01 -0.06 -5.00 118.68 119.17 3i84 s LEU 90 Ca -0.01 0.12 -0.02 0.00 0.01 0.00 0.00 54.13 54.23 3i84 s LEU 90 Cb -0.14 -1.89 0.07 0.00 0.01 0.00 0.00 46.19 44.24 3i84 s LEU 90 CO 0.03 0.29 0.43 -0.81 1.01 0.00 0.00 176.35 177.30 3i84 n PRO 91 N 2.73 0.11 -1.35 1.29 -0.04 -1.26 -0.50 135.00 135.99 3i84 n PRO 91 Ca -0.18 -1.01 -0.35 0.00 -0.04 0.00 0.00 63.50 61.92 3i84 n PRO 91 Cb 0.53 -0.33 0.10 0.00 -0.04 0.00 0.00 33.50 33.76 3i84 n PRO 91 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3i84 n GLU 92 N -1.83 0.53 -1.40 0.54 1.02 -1.25 -4.41 120.64 113.84 3i84 n GLU 92 Ca 0.07 0.25 -0.36 0.00 -0.02 0.00 0.00 57.16 57.09 3i84 n GLU 92 Cb 0.23 -2.40 0.08 0.00 -0.02 0.00 0.00 31.44 29.33 3i84 n GLU 92 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3i84 n PRO 93 N -2.50 0.57 0.00 3.49 -0.02 -1.26 -4.93 135.00 130.35 3i84 n PRO 93 Ca 0.14 0.25 0.14 0.00 -2.02 0.00 0.00 63.50 62.01 3i84 n PRO 93 Cb 0.49 -2.23 0.56 0.00 -0.02 0.00 0.00 33.50 32.30 3i84 n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i84 n MET 94 N -1.79 1.09 0.00 -0.52 0.00 -1.26 -4.90 117.12 109.74 3i84 n MET 94 Ca 0.13 -0.52 0.00 0.00 0.00 0.00 0.00 57.70 57.31 3i84 n MET 94 Cb 0.49 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 32.22 3i84 n MET 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i84 n GLY 95 N 1.23 1.61 3.09 3.17 0.00 -1.26 -5.18 105.19 107.84 3i84 n GLY 95 Ca 0.16 0.12 -0.07 0.00 0.00 0.00 0.00 46.02 46.23 3i84 n GLY 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i84 s THR 96 N -0.67 0.20 0.05 2.61 -4.23 -1.26 -5.17 115.64 107.17 3i84 s THR 96 Ca 0.00 -1.68 -0.13 0.00 -1.18 0.00 0.00 61.69 58.70 3i84 s THR 96 Cb 0.00 -1.38 0.02 0.00 1.34 0.00 0.00 72.50 72.48 3i84 s THR 96 CO 0.00 -0.93 0.30 0.00 -0.54 0.00 0.00 174.62 173.45 3i84 s ALA 97 N -3.65 -0.65 0.00 3.99 0.00 -1.26 -5.16 121.76 115.03 3i84 s ALA 97 Ca 0.04 -0.05 0.03 0.00 0.00 0.00 0.00 51.96 51.98 3i84 s ALA 97 Cb 0.06 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 3i84 s ALA 97 CO -0.09 -0.43 -0.06 -0.80 0.00 0.00 0.00 175.76 174.37 3i84 s ASN 98 N -2.17 4.64 -0.13 0.00 0.02 -1.26 -5.11 114.94 110.93 3i84 s ASN 98 Ca -0.04 -0.14 -0.00 0.00 -1.02 0.00 0.00 52.86 51.66 3i84 s ASN 98 Cb -0.00 -1.09 0.03 0.00 0.02 0.00 0.00 41.25 40.20 3i84 s ASN 98 CO -0.04 0.28 -0.09 -0.63 0.02 0.00 0.00 177.10 176.64 3i84 s ILE 99 N -1.00 1.18 -0.25 0.60 1.01 -1.26 -5.12 121.20 116.36 3i84 s ILE 99 Ca 0.17 -0.41 -0.13 0.00 0.00 0.00 0.00 60.65 60.29 3i84 s ILE 99 Cb -0.11 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 3i84 s ILE 99 CO 0.07 0.38 0.26 -1.10 0.00 0.00 0.00 174.94 174.55 3i84 s GLN 100 N 1.64 4.04 0.35 2.79 -1.52 -1.26 -5.09 119.66 120.61 3i84 s GLN 100 Ca 0.05 -0.13 0.05 0.00 -1.95 0.00 0.00 55.36 53.38 3i84 s GLN 100 Cb -0.13 -3.61 -0.01 0.00 -0.22 0.00 0.00 33.01 29.05 3i84 s GLN 100 CO -0.09 -0.12 0.49 -0.51 -0.25 0.00 0.00 175.29 174.82 3i84 s LEU 101 N 1.58 3.95 0.00 2.90 1.43 -1.26 -5.38 118.68 121.90 3i84 s LEU 101 Ca 0.11 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 3i84 s LEU 101 Cb -0.15 -2.83 0.00 0.00 0.03 0.00 0.00 46.19 43.24 3i84 s LEU 101 CO 0.08 -0.45 0.00 1.41 0.23 0.00 0.00 176.35 177.63