#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nin n THR 2 N 0.00 0.00 -3.01 2.62 -1.04 -0.54 -4.35 114.28 107.96 1nin n THR 2 Ca 0.00 -0.42 -0.40 0.00 -2.04 0.00 0.00 64.05 61.20 1nin n THR 2 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 1nin n THR 2 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1nin s TYR 3 N 0.00 3.72 -0.69 -1.42 2.02 -0.60 -4.47 117.35 115.91 1nin s TYR 3 Ca 0.40 1.43 -0.26 0.00 -0.37 0.00 0.00 57.07 58.27 1nin s TYR 3 Cb -0.26 -2.80 -0.05 0.00 -0.40 0.00 0.00 41.96 38.45 1nin s TYR 3 CO 0.17 0.27 2.07 0.99 -1.57 0.00 0.00 175.55 177.48 1nin s THR 4 N 0.00 3.26 -0.01 -0.71 2.01 -1.26 -0.40 115.64 118.53 1nin s THR 4 Ca 0.38 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.38 1nin s THR 4 Cb -0.20 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 1nin s THR 4 CO 0.22 -0.63 -0.04 0.54 -0.69 0.00 0.00 174.62 174.03 1nin s VAL 5 N 10.74 3.88 0.25 3.82 0.11 0.33 -4.81 120.40 134.71 1nin s VAL 5 Ca 0.77 -0.65 0.08 0.00 -2.93 0.00 0.00 61.98 59.25 1nin s VAL 5 Cb -0.12 -2.69 -0.05 0.00 -1.53 0.00 0.00 36.38 31.99 1nin s VAL 5 CO 0.14 0.42 -0.11 -0.75 -3.33 0.00 0.00 175.10 171.48 1nin s LYS 6 N -1.38 1.46 -0.57 1.54 2.20 -0.11 -0.93 119.74 121.95 1nin s LYS 6 Ca 0.17 -1.69 0.04 0.00 -0.36 0.00 0.00 55.97 54.12 1nin s LYS 6 Cb -0.11 -1.18 0.39 0.00 -1.51 0.00 0.00 37.83 35.41 1nin s LYS 6 CO 0.08 0.13 1.27 1.47 -0.36 0.00 0.00 175.35 177.93 1nin n LEU 7 N -0.49 5.28 0.00 5.43 -0.00 -1.19 -0.43 117.00 125.60 1nin n LEU 7 Ca -0.07 -5.27 0.00 0.00 -0.00 0.00 0.00 56.01 50.67 1nin n LEU 7 Cb 0.62 -0.62 0.00 0.00 -0.00 0.00 0.00 43.42 43.41 1nin n LEU 7 CO 0.37 2.18 0.00 0.61 -0.00 0.00 0.00 177.39 180.55 1nin n GLY 8 N -0.41 1.54 0.00 1.47 0.00 -0.56 -4.32 105.19 102.90 1nin n GLY 8 Ca 0.40 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1nin n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nin n SER 9 N 0.00 0.00 0.00 1.61 3.41 -1.23 -4.63 113.62 112.77 1nin n SER 9 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1nin n SER 9 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1nin n SER 9 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1nin n ASP 10 N -0.02 0.00 -0.06 4.04 5.75 -1.26 -5.00 116.55 119.99 1nin n ASP 10 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.72 1nin n ASP 10 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 1nin n ASP 10 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1nin n LYS 11 N 0.00 1.81 0.00 0.11 2.85 -1.26 -4.26 118.16 117.41 1nin n LYS 11 Ca 0.00 -0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 1nin n LYS 11 Cb 0.00 -1.34 0.00 0.00 -0.65 0.00 0.00 35.03 33.04 1nin n LYS 11 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1nin n GLY 12 N 2.17 1.70 3.46 2.58 0.00 -1.26 -4.88 105.19 108.96 1nin n GLY 12 Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1nin n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nin n LEU 13 N -0.02 0.03 -2.88 0.99 4.77 -1.26 -4.92 117.00 113.72 1nin n LEU 13 Ca 0.00 0.91 -0.27 0.00 -0.03 0.00 0.00 56.01 56.62 1nin n LEU 13 Cb 0.00 -1.12 -0.03 0.00 -2.33 0.00 0.00 43.42 39.94 1nin n LEU 13 CO 0.00 -2.86 0.15 0.18 -1.33 0.00 0.00 177.39 173.54 1nin n LEU 14 N 1.26 4.52 0.00 2.23 4.77 -1.26 -3.58 117.00 124.93 1nin n LEU 14 Ca 0.11 -5.62 -0.25 0.00 -0.03 0.00 0.00 56.01 50.22 1nin n LEU 14 Cb 0.40 -0.54 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 1nin n LEU 14 CO 0.55 2.34 -0.11 1.33 -1.33 0.00 0.00 177.39 180.17 1nin n VAL 15 N -0.28 0.00 -3.84 4.08 0.24 -1.26 -4.37 118.33 112.90 1nin n VAL 15 Ca 0.32 -1.94 -0.36 0.00 -2.04 0.00 0.00 64.34 60.32 1nin n VAL 15 Cb 0.43 0.23 -0.12 0.00 -1.47 0.00 0.00 33.84 32.90 1nin n VAL 15 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1nin s PHE 16 N -2.44 3.08 -0.68 6.34 0.40 -1.26 -1.50 117.98 121.91 1nin s PHE 16 Ca 0.09 -0.43 -0.12 0.00 -0.60 0.00 0.00 56.93 55.87 1nin s PHE 16 Cb -0.01 -2.19 0.18 0.00 0.51 0.00 0.00 43.02 41.51 1nin s PHE 16 CO 0.06 -0.32 0.60 -1.21 0.70 0.00 0.00 175.22 175.05 1nin s GLU 17 N 1.42 3.16 -0.12 0.44 2.02 0.43 0.98 118.70 127.03 1nin s GLU 17 Ca 0.05 -2.21 -0.06 0.00 0.02 0.00 0.00 54.97 52.77 1nin s GLU 17 Cb -0.15 -4.23 -0.04 0.00 0.10 0.00 0.00 34.13 29.81 1nin s GLU 17 CO 0.03 -1.27 0.12 -1.25 0.02 0.00 0.00 175.26 172.90 1nin s PRO 18 N 0.62 3.44 0.00 0.39 0.04 -1.26 -0.93 135.00 137.29 1nin s PRO 18 Ca 0.13 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 60.98 1nin s PRO 18 Cb -0.18 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1nin s PRO 18 CO -0.04 0.72 0.00 0.00 0.04 0.00 0.00 177.00 177.72 1nin n ALA 19 N 2.15 0.00 -3.63 8.56 0.00 0.28 -2.77 120.51 125.09 1nin n ALA 19 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.94 1nin n ALA 19 Cb 0.55 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.91 1nin n ALA 19 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1nin n LYS 20 N -2.40 2.43 -1.49 0.00 2.85 -1.26 -0.25 118.16 118.04 1nin n LYS 20 Ca 0.00 -4.55 -0.43 0.00 -1.05 0.00 0.00 58.31 52.28 1nin n LYS 20 Cb 0.00 -2.33 -0.09 0.00 -0.65 0.00 0.00 35.03 31.96 1nin n LYS 20 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1nin n LEU 21 N 1.67 1.48 -4.40 -5.58 -0.00 0.12 -4.52 117.00 105.76 1nin n LEU 21 Ca 0.24 0.03 -0.45 0.00 -0.00 0.00 0.00 56.01 55.83 1nin n LEU 21 Cb 0.37 -1.23 -0.04 0.00 -0.00 0.00 0.00 43.42 42.52 1nin n LEU 21 CO 0.37 -1.02 0.62 -0.89 -0.00 0.00 0.00 177.39 176.47 1nin s THR 22 N 9.54 4.83 0.00 1.96 2.01 -1.26 0.09 115.64 132.80 1nin s THR 22 Ca 1.16 -1.26 0.00 0.00 0.31 0.00 0.00 61.69 61.90 1nin s THR 22 Cb -0.80 -4.59 0.00 0.00 0.01 0.00 0.00 72.50 67.12 1nin s THR 22 CO 0.42 -1.27 0.00 2.30 -0.69 0.00 0.00 174.62 175.38 1nin n ILE 23 N 5.38 0.00 -4.08 1.82 -6.64 0.49 -4.91 119.36 111.41 1nin n ILE 23 Ca 0.03 0.00 -0.22 0.00 -1.77 0.00 0.00 62.75 60.80 1nin n ILE 23 Cb 0.45 -0.49 -0.04 0.00 -1.44 0.00 0.00 39.64 38.13 1nin n ILE 23 CO 0.00 0.00 0.00 -0.54 -1.77 0.00 0.00 176.55 174.24 1nin s LYS 24 N -1.64 3.00 -0.03 6.28 3.01 -1.26 -0.48 119.74 128.62 1nin s LYS 24 Ca 0.00 -1.02 -0.04 0.00 -1.01 0.00 0.00 55.97 53.90 1nin s LYS 24 Cb 0.00 -2.61 -0.05 0.00 -1.01 0.00 0.00 37.83 34.16 1nin s LYS 24 CO 0.00 0.39 0.76 -0.35 0.51 0.00 0.00 175.35 176.66 1nin n PRO 25 N -1.22 0.00 0.00 -1.68 -0.04 -1.26 -1.20 135.00 129.60 1nin n PRO 25 Ca -0.08 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.21 1nin n PRO 25 Cb 0.58 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 1nin n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nin n GLY 26 N 3.92 1.95 2.31 0.55 0.00 -1.26 -4.40 105.19 108.26 1nin n GLY 26 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 1nin n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nin n ASP 27 N 0.00 -2.28 -4.44 1.61 2.03 -0.34 -0.65 116.55 112.48 1nin n ASP 27 Ca 0.00 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.99 1nin n ASP 27 Cb 0.00 -0.39 -0.14 0.00 -0.72 0.00 0.00 41.12 39.88 1nin n ASP 27 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1nin s THR 28 N -1.55 2.85 0.13 5.18 2.01 -1.26 -2.00 115.64 121.00 1nin s THR 28 Ca 0.26 -0.85 0.08 0.00 0.31 0.00 0.00 61.69 61.49 1nin s THR 28 Cb 0.08 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 1nin s THR 28 CO 0.48 0.56 -0.19 -0.69 -0.69 0.00 0.00 174.62 174.09 1nin s VAL 29 N -0.74 1.71 -0.18 3.82 1.01 0.13 -1.47 120.40 124.69 1nin s VAL 29 Ca 0.12 -1.71 -0.02 0.00 0.00 0.00 0.00 61.98 60.37 1nin s VAL 29 Cb -0.10 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 1nin s VAL 29 CO 0.01 -0.20 -0.10 -0.70 0.00 0.00 0.00 175.10 174.10 1nin s GLU 30 N -2.34 3.32 -0.37 2.72 2.12 0.46 -0.75 118.70 123.87 1nin s GLU 30 Ca 0.10 -0.68 -0.11 0.00 0.36 0.00 0.00 54.97 54.64 1nin s GLU 30 Cb -0.08 -2.79 0.02 0.00 0.26 0.00 0.00 34.13 31.55 1nin s GLU 30 CO 0.05 -0.03 0.21 -0.06 -0.54 0.00 0.00 175.26 174.90 1nin s PHE 31 N 0.98 3.23 -0.18 5.30 0.08 0.94 -0.52 117.98 127.81 1nin s PHE 31 Ca -0.01 -0.81 -0.08 0.00 0.12 0.00 0.00 56.93 56.15 1nin s PHE 31 Cb -0.15 -2.45 -0.04 0.00 -0.57 0.00 0.00 43.02 39.81 1nin s PHE 31 CO -0.01 -0.59 0.10 -1.17 -0.10 0.00 0.00 175.22 173.44 1nin s LEU 32 N 1.59 4.03 -0.19 -0.37 0.20 -0.11 -0.85 118.68 122.99 1nin s LEU 32 Ca 0.03 0.19 -0.09 0.00 0.69 0.00 0.00 54.13 54.95 1nin s LEU 32 Cb -0.19 -2.02 -0.05 0.00 -0.43 0.00 0.00 46.19 43.51 1nin s LEU 32 CO 0.07 0.21 0.10 0.21 -0.29 0.00 0.00 176.35 176.66 1nin s ASN 33 N 0.14 5.97 0.00 3.68 2.47 0.36 -3.18 114.94 124.39 1nin s ASN 33 Ca 0.07 0.18 0.00 0.00 0.42 0.00 0.00 52.86 53.53 1nin s ASN 33 Cb -0.12 -2.03 0.00 0.00 -1.45 0.00 0.00 41.25 37.66 1nin s ASN 33 CO -0.00 0.20 0.00 0.59 -3.72 0.00 0.00 177.10 174.16 1nin n ASN 34 N 3.40 0.00 -3.92 -4.21 4.13 -1.26 -0.90 115.26 112.50 1nin n ASN 34 Ca -0.17 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 55.84 1nin n ASN 34 Cb 0.52 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.70 1nin n ASN 34 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1nin n LYS 35 N -1.10 0.67 -3.91 3.52 0.00 -1.26 -3.98 118.16 112.10 1nin n LYS 35 Ca 0.00 -3.29 -0.34 0.00 -0.00 0.00 0.00 58.31 54.68 1nin n LYS 35 Cb 0.00 1.55 0.01 0.00 -0.00 0.00 0.00 35.03 36.59 1nin n LYS 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1nin n VAL 36 N -0.94 -3.91 -3.32 0.58 0.31 -1.26 -4.95 118.33 104.83 1nin n VAL 36 Ca -0.09 -0.71 -0.20 0.00 -0.01 0.00 0.00 64.34 63.32 1nin n VAL 36 Cb 0.58 -3.09 0.01 0.00 -0.91 0.00 0.00 33.84 30.43 1nin n VAL 36 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1nin s PRO 37 N -6.63 2.49 -0.01 5.55 0.04 -1.26 -4.72 135.00 130.46 1nin s PRO 37 Ca 0.32 -1.58 -0.17 0.00 0.04 0.00 0.00 61.00 59.61 1nin s PRO 37 Cb -0.14 -2.51 -0.06 0.00 0.04 0.00 0.00 34.50 31.84 1nin s PRO 37 CO 0.91 -0.49 0.46 -1.25 0.04 0.00 0.00 177.00 176.68 1nin s PRO 38 N -4.37 4.10 -1.19 0.56 0.04 -1.26 -5.01 135.00 127.86 1nin s PRO 38 Ca 0.52 0.50 -0.10 0.00 0.04 0.00 0.00 61.00 61.95 1nin s PRO 38 Cb -0.05 -3.28 0.21 0.00 0.04 0.00 0.00 34.50 31.42 1nin s PRO 38 CO 0.31 0.54 1.47 0.72 0.04 0.00 0.00 177.00 180.08 1nin n HIS 39 N 2.28 4.23 -3.06 0.56 8.25 -1.21 -4.66 115.22 121.62 1nin n HIS 39 Ca -0.11 -3.26 -0.43 0.00 -0.26 0.00 0.00 57.72 53.66 1nin n HIS 39 Cb 0.52 -1.90 -0.06 0.00 1.12 0.00 0.00 29.99 29.67 1nin n HIS 39 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1nin s ASN 40 N 1.41 6.34 -0.07 0.41 2.47 -1.26 -4.54 114.94 119.70 1nin s ASN 40 Ca 0.38 -0.31 0.03 0.00 0.42 0.00 0.00 52.86 53.38 1nin s ASN 40 Cb -0.01 -2.34 -0.02 0.00 -1.45 0.00 0.00 41.25 37.43 1nin s ASN 40 CO -0.00 -0.84 -0.13 0.68 -3.72 0.00 0.00 177.10 173.08 1nin s VAL 41 N 2.99 3.12 0.43 -5.21 -7.23 -1.26 -3.81 120.40 109.44 1nin s VAL 41 Ca 0.25 -0.69 0.07 0.00 -1.81 0.00 0.00 61.98 59.80 1nin s VAL 41 Cb -0.14 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 1nin s VAL 41 CO 0.20 0.58 0.30 0.68 -0.31 0.00 0.00 175.10 176.54 1nin s VAL 42 N -0.50 2.38 0.20 1.32 -7.23 -0.26 0.69 120.40 116.99 1nin s VAL 42 Ca 0.07 -1.51 -0.12 0.00 -1.81 0.00 0.00 61.98 58.61 1nin s VAL 42 Cb -0.12 -2.89 -0.07 0.00 0.56 0.00 0.00 36.38 33.86 1nin s VAL 42 CO 0.02 0.00 0.56 -0.36 -0.31 0.00 0.00 175.10 175.01 1nin s PHE 43 N -2.56 3.51 0.41 2.82 0.08 -0.01 0.02 117.98 122.25 1nin s PHE 43 Ca 0.43 0.99 -0.05 0.00 0.12 0.00 0.00 56.93 58.43 1nin s PHE 43 Cb -0.00 -2.34 0.09 0.00 -0.57 0.00 0.00 43.02 40.20 1nin s PHE 43 CO 0.25 0.34 0.57 -3.47 -0.10 0.00 0.00 175.22 172.80 1nin n ASP 44 N 0.32 0.29 -0.07 1.36 2.03 -0.54 -4.59 116.55 115.35 1nin n ASP 44 Ca -0.02 -1.35 -0.14 0.00 0.52 0.00 0.00 54.79 53.79 1nin n ASP 44 Cb 0.52 -0.41 -0.05 0.00 -0.72 0.00 0.00 41.12 40.47 1nin n ASP 44 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nin n ALA 45 N -3.22 1.98 -0.29 -1.67 0.00 -1.26 -4.27 120.51 111.77 1nin n ALA 45 Ca -0.09 -0.57 0.10 0.00 0.00 0.00 0.00 53.44 52.87 1nin n ALA 45 Cb 0.28 0.27 0.26 0.00 0.00 0.00 0.00 19.45 20.25 1nin n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nin h ALA 46 N -0.55 1.29 -0.58 0.00 0.00 -1.86 0.11 119.26 117.67 1nin h ALA 46 Ca -0.31 0.14 -0.38 0.00 0.00 0.00 0.00 54.91 54.36 1nin h ALA 46 Cb 1.17 0.11 -0.17 0.00 0.00 0.00 0.00 17.79 18.90 1nin h ALA 46 CO -0.19 -0.26 0.50 1.28 0.00 0.00 0.00 179.25 180.58 1nin n LEU 47 N -5.01 6.54 0.00 0.00 7.99 -1.26 -4.79 117.00 120.46 1nin n LEU 47 Ca 0.19 -3.41 -0.19 0.00 -0.01 0.00 0.00 56.01 52.59 1nin n LEU 47 Cb 0.55 -1.00 -0.00 0.00 -0.11 0.00 0.00 43.42 42.85 1nin n LEU 47 CO 0.15 1.22 0.03 0.59 -1.51 0.00 0.00 177.39 177.88 1nin n ASN 48 N 0.02 2.29 0.05 -1.43 3.02 0.39 -1.43 115.26 118.17 1nin n ASN 48 Ca 0.36 -2.35 -0.04 0.00 -0.03 0.00 0.00 54.58 52.52 1nin n ASN 48 Cb 0.67 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.81 1nin n ASN 48 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1nin h PRO 49 N 0.00 -0.22 -1.26 3.52 0.13 -1.89 -3.37 132.00 128.90 1nin h PRO 49 Ca -0.25 0.02 -0.54 0.00 -0.87 0.00 0.00 66.00 64.36 1nin h PRO 49 Cb 0.90 0.05 -0.23 0.00 0.13 0.00 0.00 31.00 31.85 1nin h PRO 49 CO 0.39 -0.11 0.69 0.00 -0.23 0.00 0.00 178.00 178.75 1nin n ALA 50 N -2.75 5.88 -1.62 -0.56 0.00 -1.26 -4.89 120.51 115.31 1nin n ALA 50 Ca -0.03 -2.78 -0.05 0.00 0.00 0.00 0.00 53.44 50.59 1nin n ALA 50 Cb 0.11 -1.64 -0.01 0.00 0.00 0.00 0.00 19.45 17.92 1nin n ALA 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nin n LYS 51 N -0.37 -1.46 0.00 0.00 4.76 -1.26 -4.79 118.16 115.04 1nin n LYS 51 Ca 0.49 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.95 1nin n LYS 51 Cb 0.61 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 1nin n LYS 51 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1nin n SER 52 N -0.47 0.00 -2.33 4.39 7.64 -1.25 -4.42 113.62 117.17 1nin n SER 52 Ca 0.01 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.59 1nin n SER 52 Cb 0.17 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.41 1nin n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nin n ALA 53 N -3.00 5.63 -0.10 -0.43 0.00 -1.26 -4.10 120.51 117.25 1nin n ALA 53 Ca 0.00 -3.86 0.00 0.00 0.00 0.00 0.00 53.44 49.58 1nin n ALA 53 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1nin n ALA 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nin n ASP 54 N -0.70 0.00 -2.66 0.00 9.92 -1.26 0.18 116.55 122.04 1nin n ASP 54 Ca 0.50 0.05 -0.36 0.00 -0.53 0.00 0.00 54.79 54.44 1nin n ASP 54 Cb 0.71 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 41.23 1nin n ASP 54 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nin n LEU 55 N -0.50 7.42 -3.99 0.64 -0.00 -1.26 -4.80 117.00 114.51 1nin n LEU 55 Ca 0.00 -4.52 -0.30 0.00 -0.00 0.00 0.00 56.01 51.18 1nin n LEU 55 Cb 0.00 -1.06 -0.02 0.00 -0.00 0.00 0.00 43.42 42.34 1nin n LEU 55 CO 0.00 1.65 -0.25 0.00 -0.00 0.00 0.00 177.39 178.79 1nin n ALA 56 N -0.44 -2.18 0.00 1.47 0.00 0.49 -4.32 120.51 115.53 1nin n ALA 56 Ca 0.55 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1nin n ALA 56 Cb 0.40 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1nin n ALA 56 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1nin n LYS 57 N -4.48 0.00 -0.34 0.00 2.85 -1.22 -0.61 118.16 114.36 1nin n LYS 57 Ca -0.25 0.00 0.23 0.00 -1.05 0.00 0.00 58.31 57.24 1nin n LYS 57 Cb 0.66 0.00 0.48 0.00 -0.65 0.00 0.00 35.03 35.52 1nin n LYS 57 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1nin h SER 58 N 0.00 0.50 0.00 -5.58 0.87 -1.83 0.21 113.55 107.72 1nin h SER 58 Ca 0.00 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1nin h SER 58 Cb 0.00 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1nin h SER 58 CO 0.00 0.04 0.00 -0.11 -0.53 0.00 0.00 176.83 176.23 1nin n LEU 59 N -4.76 0.00 0.00 2.23 -0.00 0.22 -3.88 117.00 110.82 1nin n LEU 59 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.29 1nin n LEU 59 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.33 1nin n LEU 59 CO 0.20 0.00 0.00 -0.24 -0.00 0.00 0.00 177.39 177.35 1nin n SER 60 N -2.14 0.00 -3.13 1.96 2.88 -0.78 -4.93 113.62 107.47 1nin n SER 60 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 1nin n SER 60 Cb 0.00 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 63.62 1nin n SER 60 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1nin n HIS 61 N 0.00 -3.41 0.00 0.66 -0.00 0.22 -4.87 115.22 107.82 1nin n HIS 61 Ca 0.00 -0.57 0.00 0.00 0.46 0.00 0.00 57.72 57.61 1nin n HIS 61 Cb 0.00 -0.70 0.00 0.00 -0.12 0.00 0.00 29.99 29.17 1nin n HIS 61 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1nin n LYS 62 N -3.72 0.23 -3.79 1.57 5.02 -1.26 -4.35 118.16 111.85 1nin n LYS 62 Ca 0.09 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.17 1nin n LYS 62 Cb 0.36 -0.36 -0.04 0.00 -0.02 0.00 0.00 35.03 34.96 1nin n LYS 62 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1nin s GLN 63 N -0.95 2.62 -0.74 1.97 0.74 -1.26 -4.98 119.66 117.06 1nin s GLN 63 Ca 0.00 -1.40 -0.26 0.00 0.05 0.00 0.00 55.36 53.74 1nin s GLN 63 Cb 0.00 -2.40 0.01 0.00 1.10 0.00 0.00 33.01 31.72 1nin s GLN 63 CO 0.00 0.01 1.50 -0.48 -0.55 0.00 0.00 175.29 175.77 1nin s LEU 64 N -4.01 3.23 -1.05 3.68 2.34 -1.26 -4.18 118.68 117.43 1nin s LEU 64 Ca 0.42 -0.35 -0.22 0.00 0.06 0.00 0.00 54.13 54.04 1nin s LEU 64 Cb -0.04 -2.55 -0.10 0.00 -0.56 0.00 0.00 46.19 42.93 1nin s LEU 64 CO 0.26 -2.01 1.92 0.18 -1.06 0.00 0.00 176.35 175.65 1nin n LEU 65 N 10.53 3.53 -1.93 1.48 4.32 -1.26 -4.68 117.00 128.98 1nin n LEU 65 Ca 0.13 -3.12 -0.19 0.00 -0.02 0.00 0.00 56.01 52.81 1nin n LEU 65 Cb 0.50 -1.53 0.12 0.00 -1.62 0.00 0.00 43.42 40.89 1nin n LEU 65 CO 0.70 -1.22 1.12 0.80 -1.22 0.00 0.00 177.39 177.58 1nin n MET 66 N 7.83 1.97 -4.90 3.23 1.56 -1.26 -3.33 117.12 122.22 1nin n MET 66 Ca 0.47 -2.22 -0.33 0.00 -0.27 0.00 0.00 57.70 55.35 1nin n MET 66 Cb 0.44 -1.87 -0.15 0.00 2.15 0.00 0.00 33.22 33.79 1nin n MET 66 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1nin s SER 67 N -0.69 3.79 -1.57 6.12 0.15 -1.26 -5.01 113.70 115.23 1nin s SER 67 Ca 0.42 -0.37 -0.10 0.00 0.70 0.00 0.00 55.95 56.61 1nin s SER 67 Cb 0.35 -1.47 -0.05 0.00 -1.71 0.00 0.00 66.02 63.14 1nin s SER 67 CO 0.06 0.18 2.82 -0.81 1.20 0.00 0.00 173.24 176.69 1nin n PRO 68 N 3.39 3.75 0.00 5.44 -0.04 -1.26 -3.76 135.00 142.52 1nin n PRO 68 Ca -0.18 -2.42 0.00 0.00 -0.04 0.00 0.00 63.50 60.86 1nin n PRO 68 Cb 0.53 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 1nin n PRO 68 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nin n GLY 69 N 3.37 0.73 3.27 0.55 0.00 -0.08 -4.92 105.19 108.10 1nin n GLY 69 Ca 0.74 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 46.27 1nin n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nin s GLN 70 N 0.00 1.34 -0.07 1.61 0.74 -1.03 -4.94 119.66 117.31 1nin s GLN 70 Ca 0.00 -1.01 0.04 0.00 0.05 0.00 0.00 55.36 54.44 1nin s GLN 70 Cb 0.00 -1.50 -0.01 0.00 1.10 0.00 0.00 33.01 32.59 1nin s GLN 70 CO 0.00 0.38 -0.21 -1.54 -0.55 0.00 0.00 175.29 173.37 1nin s SER 71 N -1.38 3.43 0.16 6.67 1.04 -1.26 -0.49 113.70 121.87 1nin s SER 71 Ca 0.07 -0.42 0.10 0.00 0.48 0.00 0.00 55.95 56.18 1nin s SER 71 Cb -0.09 -1.02 -0.04 0.00 0.10 0.00 0.00 66.02 64.97 1nin s SER 71 CO 0.02 0.24 -0.16 0.28 0.98 0.00 0.00 173.24 174.61 1nin s THR 72 N -0.14 2.86 0.07 2.02 -1.32 -0.03 -4.91 115.64 114.19 1nin s THR 72 Ca -0.03 -1.70 0.07 0.00 -1.21 0.00 0.00 61.69 58.82 1nin s THR 72 Cb -0.14 -2.37 -0.04 0.00 -1.51 0.00 0.00 72.50 68.45 1nin s THR 72 CO 0.04 -0.04 -0.15 -0.94 -2.21 0.00 0.00 174.62 171.32 1nin s SER 73 N -2.55 4.07 -0.12 8.08 1.04 -1.26 -0.04 113.70 122.92 1nin s SER 73 Ca 0.21 -0.42 -0.09 0.00 0.48 0.00 0.00 55.95 56.14 1nin s SER 73 Cb -0.09 -0.70 0.04 0.00 0.10 0.00 0.00 66.02 65.36 1nin s SER 73 CO 0.12 0.22 0.30 -0.89 0.98 0.00 0.00 173.24 173.97 1nin s THR 74 N -1.06 -0.02 0.36 2.02 2.01 0.07 -4.99 115.64 114.03 1nin s THR 74 Ca 0.17 0.06 0.09 0.00 0.31 0.00 0.00 61.69 62.32 1nin s THR 74 Cb -0.11 -0.44 -0.06 0.00 0.01 0.00 0.00 72.50 71.90 1nin s THR 74 CO 0.09 0.02 -0.02 0.28 -0.69 0.00 0.00 174.62 174.31 1nin s THR 75 N 0.67 2.33 -0.02 -0.82 -1.32 -1.26 -0.69 115.64 114.54 1nin s THR 75 Ca -0.04 -2.04 0.01 0.00 -1.21 0.00 0.00 61.69 58.41 1nin s THR 75 Cb -0.05 -2.79 -0.03 0.00 -1.51 0.00 0.00 72.50 68.11 1nin s THR 75 CO -0.04 -0.15 -0.03 -0.36 -2.21 0.00 0.00 174.62 171.83 1nin s PHE 76 N -2.60 3.01 0.38 9.09 0.08 0.18 -4.99 117.98 123.14 1nin s PHE 76 Ca 0.34 0.05 0.19 0.00 0.12 0.00 0.00 56.93 57.64 1nin s PHE 76 Cb 0.03 -1.67 1.17 0.00 -0.57 0.00 0.00 43.02 41.98 1nin s PHE 76 CO 0.18 0.42 1.68 -1.00 -0.10 0.00 0.00 175.22 176.41 1nin h PRO 77 N 4.60 0.28 0.00 0.24 0.13 -1.93 -3.38 132.00 131.94 1nin h PRO 77 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1nin h PRO 77 Cb 1.18 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1nin h PRO 77 CO 0.55 0.19 0.00 0.00 -0.23 0.00 0.00 178.00 178.51 1nin n ALA 78 N -2.40 0.00 0.02 -0.56 0.00 -1.26 -4.94 120.51 111.37 1nin n ALA 78 Ca 0.31 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.62 1nin n ALA 78 Cb 1.07 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.43 1nin n ALA 78 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1nin h ASP 79 N 0.60 -1.45 0.00 0.00 3.04 -1.87 -3.35 116.42 113.38 1nin h ASP 79 Ca 0.00 0.17 0.00 0.00 -3.24 0.00 0.00 57.03 53.96 1nin h ASP 79 Cb 0.00 0.56 0.00 0.00 -1.04 0.00 0.00 39.33 38.85 1nin h ASP 79 CO 0.00 -0.43 0.00 0.00 -2.04 0.00 0.00 179.24 176.77 1nin n ALA 80 N -2.92 0.00 -0.94 4.15 0.00 -1.26 -4.67 120.51 114.86 1nin n ALA 80 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.05 1nin n ALA 80 Cb 0.33 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.92 1nin n ALA 80 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1nin n PRO 81 N 0.00 -0.07 -0.57 0.00 -0.04 -1.26 -4.67 135.00 128.39 1nin n PRO 81 Ca 0.00 0.05 -0.09 0.00 -0.04 0.00 0.00 63.50 63.42 1nin n PRO 81 Cb 0.00 -2.28 -0.02 0.00 -0.04 0.00 0.00 33.50 31.15 1nin n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nin n ALA 82 N -3.55 0.35 -4.14 0.55 0.00 -1.26 -4.65 120.51 107.80 1nin n ALA 82 Ca 0.12 -0.68 -0.20 0.00 0.00 0.00 0.00 53.44 52.67 1nin n ALA 82 Cb 0.51 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.71 1nin n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nin n GLY 83 N 3.58 3.28 3.15 0.00 0.00 -1.22 -4.80 105.19 109.18 1nin n GLY 83 Ca 0.09 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 1nin n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nin s GLU 84 N -3.17 2.32 0.32 1.61 2.12 -1.26 -0.78 118.70 119.86 1nin s GLU 84 Ca 0.24 -1.37 0.08 0.00 0.36 0.00 0.00 54.97 54.28 1nin s GLU 84 Cb 0.01 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 1nin s GLU 84 CO 0.17 -0.69 0.14 0.71 -0.54 0.00 0.00 175.26 175.05 1nin s TYR 85 N 1.21 2.74 0.01 5.30 2.02 0.25 -4.79 117.35 124.09 1nin s TYR 85 Ca -0.03 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 1nin s TYR 85 Cb -0.20 -1.58 -0.04 0.00 -0.40 0.00 0.00 41.96 39.74 1nin s TYR 85 CO -0.02 0.38 0.03 0.99 -1.57 0.00 0.00 175.55 175.36 1nin s THR 86 N -2.39 4.35 -0.18 -0.71 2.01 -0.52 -0.12 115.64 118.09 1nin s THR 86 Ca 0.37 -0.58 -0.18 0.00 0.31 0.00 0.00 61.69 61.60 1nin s THR 86 Cb -0.04 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 1nin s THR 86 CO 0.23 0.33 0.50 -0.36 -0.69 0.00 0.00 174.62 174.62 1nin s PHE 87 N -1.16 3.41 -0.32 4.92 0.40 -0.14 -1.47 117.98 123.61 1nin s PHE 87 Ca 0.22 0.79 -0.05 0.00 -0.60 0.00 0.00 56.93 57.28 1nin s PHE 87 Cb -0.12 -2.63 0.04 0.00 0.51 0.00 0.00 43.02 40.82 1nin s PHE 87 CO 0.13 -0.03 0.07 -0.47 0.70 0.00 0.00 175.22 175.62 1nin s TYR 88 N 1.35 3.24 -1.18 0.36 6.14 0.10 -4.02 117.35 123.35 1nin s TYR 88 Ca 0.24 -1.51 -0.11 0.00 0.64 0.00 0.00 57.07 56.34 1nin s TYR 88 Cb -0.15 -2.22 0.22 0.00 0.42 0.00 0.00 41.96 40.22 1nin s TYR 88 CO 0.10 -0.74 1.40 0.00 0.64 0.00 0.00 175.55 176.95 1nin n GLU 90 N 4.08 -0.03 0.00 0.00 4.07 -1.25 -0.43 120.64 127.08 1nin n GLU 90 Ca 0.32 0.12 0.03 0.00 -0.06 0.00 0.00 57.16 57.58 1nin n GLU 90 Cb 0.40 -0.18 0.15 0.00 -0.06 0.00 0.00 31.44 31.75 1nin n GLU 90 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1nin n PRO 91 N -3.73 0.06 0.00 5.31 -0.04 -1.26 -3.60 135.00 131.73 1nin n PRO 91 Ca 0.00 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 1nin n PRO 91 Cb 0.02 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 1nin n PRO 91 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1nin n HIS 92 N -1.37 0.00 -1.83 0.54 8.25 0.43 -5.11 115.22 116.12 1nin n HIS 92 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1nin n HIS 92 Cb 0.06 0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.18 1nin n HIS 92 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1nin n ARG 93 N -2.63 0.00 -0.20 -0.41 1.74 -0.06 -3.42 116.66 111.68 1nin n ARG 93 Ca 0.00 0.00 0.16 0.00 -0.77 0.00 0.00 57.85 57.24 1nin n ARG 93 Cb 0.46 0.00 0.30 0.00 -1.02 0.00 0.00 32.46 32.20 1nin n ARG 93 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nin n GLY 94 N 0.00 -0.56 2.90 -0.13 0.00 -1.26 -0.74 105.19 105.39 1nin n GLY 94 Ca 0.00 0.52 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 1nin n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nin n ALA 95 N -2.80 5.44 0.00 4.61 0.00 -1.22 -4.41 120.51 122.13 1nin n ALA 95 Ca 0.20 -4.67 0.00 0.00 0.00 0.00 0.00 53.44 48.97 1nin n ALA 95 Cb 0.68 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1nin n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nin n GLY 96 N 1.32 3.26 2.44 0.00 0.00 -1.06 -4.95 105.19 106.19 1nin n GLY 96 Ca 0.33 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 1nin n GLY 96 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nin n MET 97 N 0.00 1.03 -3.58 1.61 2.00 0.08 -4.23 117.12 114.03 1nin n MET 97 Ca 0.00 -3.68 -0.33 0.00 0.00 0.00 0.00 57.70 53.68 1nin n MET 97 Cb 0.00 -1.76 -0.07 0.00 0.00 0.00 0.00 33.22 31.39 1nin n MET 97 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1nin n VAL 98 N 1.95 2.86 -4.51 2.03 0.31 -1.26 -4.31 118.33 115.40 1nin n VAL 98 Ca 0.25 -5.18 -0.24 0.00 -0.01 0.00 0.00 64.34 59.17 1nin n VAL 98 Cb 0.46 -2.25 -0.11 0.00 -0.91 0.00 0.00 33.84 31.03 1nin n VAL 98 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1nin s GLY 99 N -1.07 2.12 0.08 2.92 0.00 -1.26 -4.81 107.32 105.30 1nin s GLY 99 Ca 0.30 -2.07 0.02 0.00 0.00 0.00 0.00 44.72 42.97 1nin s GLY 99 CO -0.09 -1.95 -0.07 0.54 0.00 0.00 0.00 173.10 171.54 1nin s LYS 100 N -3.72 0.75 -0.23 2.90 1.02 0.65 -0.97 119.74 120.15 1nin s LYS 100 Ca 0.33 -1.19 -0.05 0.00 0.02 0.00 0.00 55.97 55.08 1nin s LYS 100 Cb 0.06 -0.21 -0.01 0.00 -0.52 0.00 0.00 37.83 37.14 1nin s LYS 100 CO 0.15 -0.00 -0.02 0.42 -0.92 0.00 0.00 175.35 174.98 1nin s ILE 101 N -3.09 3.58 -0.19 2.17 -1.09 0.83 0.11 121.20 123.52 1nin s ILE 101 Ca 0.06 -0.42 -0.03 0.00 -2.23 0.00 0.00 60.65 58.03 1nin s ILE 101 Cb 0.02 -2.64 -0.01 0.00 -1.58 0.00 0.00 42.46 38.24 1nin s ILE 101 CO -0.04 0.41 -0.06 -0.89 -1.23 0.00 0.00 174.94 173.13 1nin s THR 102 N 1.49 3.38 -0.20 2.92 2.01 0.11 -0.58 115.64 124.76 1nin s THR 102 Ca 0.06 -0.51 -0.09 0.00 0.31 0.00 0.00 61.69 61.45 1nin s THR 102 Cb -0.14 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.81 1nin s THR 102 CO -0.02 0.45 0.12 -0.69 -0.69 0.00 0.00 174.62 173.80 1nin s VAL 103 N 1.09 5.25 0.00 3.82 1.01 0.04 -0.38 120.40 131.22 1nin s VAL 103 Ca 0.01 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1nin s VAL 103 Cb -0.15 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1nin s VAL 103 CO -0.01 0.43 0.00 0.00 0.00 0.00 0.00 175.10 175.52 1nin n ALA 104 N 3.65 0.00 -0.74 5.51 0.00 0.37 -3.45 120.51 125.85 1nin n ALA 104 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1nin n ALA 104 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1nin n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91