#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1niq s ASP 3 N 0.00 6.75 -0.05 8.00 2.15 -1.26 -5.01 116.67 127.25 1niq s ASP 3 Ca 0.00 2.11 0.02 0.00 0.43 0.00 0.00 52.55 55.11 1niq s ASP 3 Cb 0.00 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 40.10 1niq s ASP 3 CO 0.00 -0.86 -0.08 0.00 -0.17 0.00 0.00 175.17 174.06 1niq s GLN 4 N 3.66 1.15 -0.26 4.34 -2.07 -1.26 -5.13 119.66 120.08 1niq s GLN 4 Ca 0.68 -0.26 -0.15 0.00 -1.82 0.00 0.00 55.36 53.80 1niq s GLN 4 Cb -0.31 -1.04 -0.04 0.00 -1.09 0.00 0.00 33.01 30.54 1niq s GLN 4 CO 0.26 0.01 0.40 0.00 -1.32 0.00 0.00 175.29 174.63 1niq s ALA 5 N 0.62 3.57 -0.06 2.60 0.00 -1.26 -5.10 121.76 122.13 1niq s ALA 5 Ca -0.10 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 1niq s ALA 5 Cb -0.13 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 1niq s ALA 5 CO 0.01 -0.65 0.10 0.95 0.00 0.00 0.00 175.76 176.17 1niq s THR 6 N 2.07 4.99 -0.17 0.00 -4.23 -1.26 -5.10 115.64 111.94 1niq s THR 6 Ca 0.16 -0.12 -0.29 0.00 -1.18 0.00 0.00 61.69 60.25 1niq s THR 6 Cb -0.16 -3.21 -0.01 0.00 1.34 0.00 0.00 72.50 70.47 1niq s THR 6 CO 0.10 0.50 1.12 -2.16 -0.54 0.00 0.00 174.62 173.64 1niq s PRO 7 N -1.32 4.29 -0.29 3.99 0.04 -1.26 -5.00 135.00 135.45 1niq s PRO 7 Ca 0.18 1.49 -0.15 0.00 0.04 0.00 0.00 61.00 62.57 1niq s PRO 7 Cb -0.12 -3.65 -0.03 0.00 0.04 0.00 0.00 34.50 30.74 1niq s PRO 7 CO 0.08 -0.57 0.36 -0.80 0.04 0.00 0.00 177.00 176.12 1niq s ASN 8 N 1.44 6.21 0.18 6.66 0.02 -1.26 -2.37 114.94 125.82 1niq s ASN 8 Ca 0.49 0.10 0.06 0.00 -1.02 0.00 0.00 52.86 52.50 1niq s ASN 8 Cb -0.19 -2.20 -0.05 0.00 0.02 0.00 0.00 41.25 38.83 1niq s ASN 8 CO 0.13 -0.23 -0.13 -0.76 0.02 0.00 0.00 177.10 176.13 1niq s LEU 9 N 2.05 2.54 0.01 0.60 1.43 0.17 -4.97 118.68 120.50 1niq s LEU 9 Ca 0.14 -1.00 -0.19 0.00 -1.03 0.00 0.00 54.13 52.04 1niq s LEU 9 Cb -0.16 -0.55 -0.06 0.00 0.03 0.00 0.00 46.19 45.46 1niq s LEU 9 CO 0.11 -0.23 0.55 -2.16 0.23 0.00 0.00 176.35 174.85 1niq s PRO 10 N -3.61 4.22 -0.11 1.29 0.04 -1.26 -1.02 135.00 134.55 1niq s PRO 10 Ca 0.19 0.66 -0.01 0.00 0.04 0.00 0.00 61.00 61.88 1niq s PRO 10 Cb 0.00 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 31.27 1niq s PRO 10 CO 0.04 0.49 -0.04 0.45 0.04 0.00 0.00 177.00 177.98 1niq s SER 11 N -0.56 2.13 -0.05 6.66 0.15 -0.37 -4.87 113.70 116.80 1niq s SER 11 Ca 0.29 -0.31 -0.12 0.00 0.70 0.00 0.00 55.95 56.50 1niq s SER 11 Cb -0.18 -0.71 -0.07 0.00 -1.71 0.00 0.00 66.02 63.35 1niq s SER 11 CO 0.17 -0.16 0.50 0.03 1.20 0.00 0.00 173.24 174.97 1niq h ARG 12 N 8.22 -0.41 -6.31 5.44 3.08 -1.87 -0.18 114.38 122.35 1niq h ARG 12 Ca -0.25 0.03 -0.69 0.00 0.07 0.00 0.00 59.98 59.14 1niq h ARG 12 Cb 1.13 0.09 -0.21 0.00 0.08 0.00 0.00 29.97 31.05 1niq h ARG 12 CO 0.36 -0.27 -0.75 0.34 -1.07 0.00 0.00 179.97 178.57 1niq s ASP 13 N -4.98 4.21 -0.05 7.04 2.15 -1.26 -4.35 116.67 119.43 1niq s ASP 13 Ca -0.06 -0.18 -0.27 0.00 0.43 0.00 0.00 52.55 52.47 1niq s ASP 13 Cb 0.01 -0.91 -0.22 0.00 -0.30 0.00 0.00 42.92 41.50 1niq s ASP 13 CO 0.19 0.33 1.15 -0.26 -0.17 0.00 0.00 175.17 176.41 1niq h PHE 14 N 5.11 0.01 -0.97 -5.34 -1.00 -1.99 -2.15 116.94 110.62 1niq h PHE 14 Ca -0.47 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.32 1niq h PHE 14 Cb 1.16 -0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.67 1niq h PHE 14 CO 0.53 0.62 0.64 -0.44 -1.61 0.00 0.00 178.31 178.04 1niq h ASP 15 N -0.60 1.10 -0.08 2.17 3.32 -1.99 -1.45 116.42 118.90 1niq h ASP 15 Ca -0.00 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.06 1niq h ASP 15 Cb 0.62 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 1niq h ASP 15 CO 0.00 0.78 -0.20 0.28 -1.72 0.00 0.00 179.24 178.39 1niq h SER 16 N 1.29 -0.60 0.07 6.45 0.02 -2.00 -2.16 113.55 116.62 1niq h SER 16 Ca 0.36 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.41 1niq h SER 16 Cb -0.11 0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1niq h SER 16 CO -0.09 -0.25 -0.03 0.74 -1.14 0.00 0.00 176.83 176.05 1niq h THR 17 N -0.28 1.17 -0.44 -2.27 2.02 -1.42 -3.37 112.91 108.33 1niq h THR 17 Ca 0.08 -0.92 0.05 0.00 0.77 0.00 0.00 66.41 66.40 1niq h THR 17 Cb 0.39 1.76 -0.05 0.00 -1.74 0.00 0.00 68.15 68.52 1niq h THR 17 CO -0.24 0.23 0.16 0.00 0.37 0.00 0.00 175.52 176.03 1niq h ALA 18 N 0.36 0.52 -0.85 6.16 0.00 -1.31 -3.18 119.26 120.97 1niq h ALA 18 Ca -0.01 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1niq h ALA 18 Cb 0.44 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1niq h ALA 18 CO 0.02 -0.23 0.55 0.00 0.00 0.00 0.00 179.25 179.58 1niq h ALA 19 N 1.28 1.68 -0.12 0.00 0.00 -1.56 -0.27 119.26 120.27 1niq h ALA 19 Ca 0.20 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1niq h ALA 19 Cb 0.19 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1niq h ALA 19 CO -0.21 0.16 -0.12 0.35 0.00 0.00 0.00 179.25 179.43 1niq h PHE 20 N 0.83 -0.29 -0.22 0.00 3.57 -1.71 -2.99 116.94 116.14 1niq h PHE 20 Ca 0.39 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.73 1niq h PHE 20 Cb 0.40 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 1niq h PHE 20 CO -0.00 -0.17 -0.59 1.88 -2.23 0.00 0.00 178.31 177.20 1niq h TYR 21 N -0.14 0.89 0.00 0.41 0.05 -1.45 -3.19 116.97 113.54 1niq h TYR 21 Ca 0.08 -0.33 -0.07 0.00 0.05 0.00 0.00 58.73 58.46 1niq h TYR 21 Cb 0.26 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 1niq h TYR 21 CO -0.23 1.12 -0.33 1.49 -1.05 0.00 0.00 178.16 179.16 1niq h GLU 22 N 0.53 0.00 -0.72 4.88 4.81 -1.11 -1.34 114.58 121.64 1niq h GLU 22 Ca 0.00 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 1niq h GLU 22 Cb 1.17 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.47 1niq h GLU 22 CO 0.12 0.33 0.34 0.00 -0.73 0.00 0.00 179.01 179.07 1niq h ARG 23 N 0.00 0.55 -1.07 1.92 3.08 -1.60 -3.02 114.38 114.23 1niq h ARG 23 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1niq h ARG 23 Cb 0.65 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1niq h ARG 23 CO 0.04 0.36 0.00 1.28 -1.07 0.00 0.00 179.97 180.59 1niq n LEU 24 N -4.89 2.63 0.00 3.04 4.77 -0.71 -4.90 117.00 116.93 1niq n LEU 24 Ca 0.12 -1.31 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 1niq n LEU 24 Cb 0.30 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1niq n LEU 24 CO 0.23 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1niq n GLY 25 N 0.51 2.41 3.51 -0.72 0.00 -1.14 -4.96 105.19 104.79 1niq n GLY 25 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1niq n GLY 25 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1niq s PHE 26 N -2.79 2.98 0.56 1.61 0.40 -0.59 -4.09 117.98 116.08 1niq s PHE 26 Ca 0.00 -1.46 -0.19 0.00 -0.60 0.00 0.00 56.93 54.68 1niq s PHE 26 Cb 0.00 -4.49 -0.05 0.00 0.51 0.00 0.00 43.02 38.99 1niq s PHE 26 CO 0.00 -1.65 1.15 0.20 0.70 0.00 0.00 175.22 175.62 1niq s GLY 27 N 3.93 2.64 -1.15 4.36 0.00 -1.15 -3.54 107.32 112.40 1niq s GLY 27 Ca 0.43 0.86 -0.21 0.00 0.00 0.00 0.00 44.72 45.80 1niq s GLY 27 CO -0.04 1.23 1.62 -0.42 0.00 0.00 0.00 173.10 175.49 1niq s ILE 28 N -1.75 3.98 0.16 0.90 1.01 -1.26 -1.87 121.20 122.37 1niq s ILE 28 Ca 0.74 -1.30 -0.05 0.00 0.00 0.00 0.00 60.65 60.04 1niq s ILE 28 Cb -0.26 -5.07 -0.10 0.00 0.01 0.00 0.00 42.46 37.05 1niq s ILE 28 CO 0.30 -1.91 1.43 -0.37 0.00 0.00 0.00 174.94 174.39 1niq h VAL 29 N 6.21 1.33 -3.88 2.92 -1.51 -1.90 -3.45 116.25 115.97 1niq h VAL 29 Ca 0.31 -1.96 -0.31 0.00 -1.23 0.00 0.00 66.70 63.52 1niq h VAL 29 Cb 0.94 1.93 -0.28 0.00 -2.13 0.00 0.00 31.29 31.75 1niq h VAL 29 CO 1.43 0.60 -0.75 0.12 -1.23 0.00 0.00 177.57 177.74 1niq s PHE 30 N -3.81 0.41 -0.20 5.19 2.19 -1.25 -5.04 117.98 115.46 1niq s PHE 30 Ca -0.08 -0.08 -0.09 0.00 0.33 0.00 0.00 56.93 57.02 1niq s PHE 30 Cb 0.10 -0.26 0.08 0.00 -1.31 0.00 0.00 43.02 41.63 1niq s PHE 30 CO 0.86 -0.01 0.46 0.50 1.83 0.00 0.00 175.22 178.86 1niq s ARG 31 N -0.11 0.40 0.00 10.12 3.52 -1.26 -2.30 118.95 129.31 1niq s ARG 31 Ca 0.02 1.00 0.00 0.00 -0.13 0.00 0.00 55.73 56.62 1niq s ARG 31 Cb -0.02 0.24 0.00 0.00 -1.56 0.00 0.00 34.95 33.61 1niq s ARG 31 CO -0.00 -0.21 0.00 -0.40 -0.81 0.00 0.00 175.30 173.88 1niq n ASP 32 N 4.92 0.00 0.00 -2.12 5.68 -1.17 -5.08 116.55 118.78 1niq n ASP 32 Ca -0.15 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.14 1niq n ASP 32 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1niq n ASP 32 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1niq n ALA 33 N -2.82 0.00 0.08 2.12 0.00 -1.26 -4.96 120.51 113.67 1niq n ALA 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1niq n ALA 33 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1niq n ALA 33 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1niq h GLY 34 N 0.00 0.00 -4.93 0.00 0.00 -1.97 -3.43 103.07 92.74 1niq h GLY 34 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 1niq h GLY 34 CO 0.00 0.00 -0.75 0.86 0.00 0.00 0.00 176.54 176.65 1niq s TRP 35 N -2.92 0.67 -0.23 5.60 -0.11 -1.26 -1.32 118.94 119.37 1niq s TRP 35 Ca 0.00 -0.37 -0.03 0.00 1.22 0.00 0.00 56.10 56.92 1niq s TRP 35 Cb 0.08 -0.40 0.11 0.00 -1.50 0.00 0.00 33.47 31.76 1niq s TRP 35 CO 0.78 -0.05 0.27 1.41 -4.62 0.00 0.00 176.95 174.74 1niq s MET 36 N -1.12 0.25 -0.34 5.86 -2.45 -0.30 -3.06 119.30 118.13 1niq s MET 36 Ca -0.05 0.23 -0.17 0.00 -1.25 0.00 0.00 55.69 54.45 1niq s MET 36 Cb -0.07 -0.96 -0.01 0.00 1.25 0.00 0.00 34.83 35.04 1niq s MET 36 CO 0.00 -0.70 0.47 0.42 1.05 0.00 0.00 175.02 176.26 1niq s ILE 37 N 2.38 5.06 -0.30 10.11 1.01 -0.97 -0.99 121.20 137.51 1niq s ILE 37 Ca 0.09 0.30 -0.06 0.00 0.00 0.00 0.00 60.65 60.97 1niq s ILE 37 Cb -0.15 -3.91 0.02 0.00 0.01 0.00 0.00 42.46 38.42 1niq s ILE 37 CO -0.16 -0.16 0.06 -0.76 0.00 0.00 0.00 174.94 173.92 1niq s LEU 38 N 2.29 3.83 -0.23 2.97 1.43 -0.28 -2.93 118.68 125.75 1niq s LEU 38 Ca 0.17 -0.80 -0.03 0.00 -1.03 0.00 0.00 54.13 52.44 1niq s LEU 38 Cb -0.16 -1.85 0.07 0.00 0.03 0.00 0.00 46.19 44.29 1niq s LEU 38 CO 0.13 -0.20 0.06 -1.58 0.23 0.00 0.00 176.35 174.98 1niq s GLN 39 N 1.46 0.62 -0.95 1.70 0.74 -0.78 -1.59 119.66 120.86 1niq s GLN 39 Ca 0.02 -0.57 -0.17 0.00 0.05 0.00 0.00 55.36 54.68 1niq s GLN 39 Cb -0.17 -2.00 0.15 0.00 1.10 0.00 0.00 33.01 32.09 1niq s GLN 39 CO 0.02 -0.75 1.10 0.50 -0.55 0.00 0.00 175.29 175.61 1niq s ARG 40 N 1.83 3.67 3.95 1.67 3.52 -0.89 -2.94 118.95 129.76 1niq s ARG 40 Ca 0.02 -1.99 0.00 0.00 -0.13 0.00 0.00 55.73 53.63 1niq s ARG 40 Cb -0.17 -4.85 0.00 0.00 -1.56 0.00 0.00 34.95 28.37 1niq s ARG 40 CO -0.14 -1.69 0.00 0.41 -0.81 0.00 0.00 175.30 173.07 1niq n GLY 41 N 5.06 0.51 0.00 8.12 0.00 -1.26 -1.74 105.19 115.88 1niq n GLY 41 Ca 0.24 0.56 0.13 0.00 0.00 0.00 0.00 46.02 46.94 1niq n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1niq n ASP 42 N 7.75 0.31 -4.35 1.61 9.92 -1.26 -4.84 116.55 125.70 1niq n ASP 42 Ca 0.00 0.08 -0.46 0.00 -0.53 0.00 0.00 54.79 53.88 1niq n ASP 42 Cb 0.00 -0.08 -0.03 0.00 -0.64 0.00 0.00 41.12 40.37 1niq n ASP 42 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1niq s LEU 43 N -3.07 6.10 -0.16 0.64 1.43 -0.71 -5.06 118.68 117.85 1niq s LEU 43 Ca 0.12 -2.10 -0.25 0.00 -1.03 0.00 0.00 54.13 50.87 1niq s LEU 43 Cb 0.18 -2.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 1niq s LEU 43 CO 0.63 -0.83 0.81 -0.32 0.23 0.00 0.00 176.35 176.87 1niq s MET 44 N 1.41 4.31 -0.18 1.70 1.75 -1.26 -2.09 119.30 124.93 1niq s MET 44 Ca 0.15 0.98 0.01 0.00 -1.25 0.00 0.00 55.69 55.57 1niq s MET 44 Cb -0.18 -3.56 0.03 0.00 2.84 0.00 0.00 34.83 33.96 1niq s MET 44 CO -0.03 -0.27 -0.15 -0.51 -0.65 0.00 0.00 175.02 173.41 1niq s LEU 45 N 1.96 2.13 -0.49 4.11 1.43 -0.62 -4.54 118.68 122.66 1niq s LEU 45 Ca 0.38 -0.71 -0.17 0.00 -1.03 0.00 0.00 54.13 52.60 1niq s LEU 45 Cb -0.17 -1.34 0.07 0.00 0.03 0.00 0.00 46.19 44.79 1niq s LEU 45 CO 0.13 -0.06 0.48 -1.61 0.23 0.00 0.00 176.35 175.52 1niq s GLU 46 N 1.36 3.02 -0.42 1.70 2.02 -1.00 -1.13 118.70 124.26 1niq s GLU 46 Ca 0.03 -1.25 -0.15 0.00 0.02 0.00 0.00 54.97 53.61 1niq s GLU 46 Cb -0.14 -4.14 0.02 0.00 0.10 0.00 0.00 34.13 29.97 1niq s GLU 46 CO -0.11 -1.13 0.33 -0.06 0.02 0.00 0.00 175.26 174.31 1niq s PHE 47 N 1.96 3.23 0.27 1.61 0.40 -0.16 -0.66 117.98 124.63 1niq s PHE 47 Ca 0.07 -0.58 -0.15 0.00 -0.60 0.00 0.00 56.93 55.67 1niq s PHE 47 Cb -0.23 -2.67 -0.08 0.00 0.51 0.00 0.00 43.02 40.54 1niq s PHE 47 CO 0.08 -0.62 0.68 -0.59 0.70 0.00 0.00 175.22 175.47 1niq s PHE 48 N 1.75 3.46 -0.46 0.36 -0.12 -0.19 -1.15 117.98 121.63 1niq s PHE 48 Ca 0.06 1.17 -0.27 0.00 -0.05 0.00 0.00 56.93 57.84 1niq s PHE 48 Cb -0.19 -2.49 -0.03 0.00 -0.63 0.00 0.00 43.02 39.69 1niq s PHE 48 CO 0.10 0.21 1.93 0.00 -0.05 0.00 0.00 175.22 177.42 1niq s ALA 49 N -1.80 2.40 -0.53 1.99 0.00 -0.43 -1.23 121.76 122.15 1niq s ALA 49 Ca 0.49 -0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.40 1niq s ALA 49 Cb -0.12 -4.18 0.23 0.00 0.00 0.00 0.00 23.12 19.04 1niq s ALA 49 CO 0.19 -3.41 0.58 1.58 0.00 0.00 0.00 175.76 174.70 1niq n HIS 50 N 12.15 1.60 0.26 0.00 -0.00 -0.08 -4.91 115.22 124.24 1niq n HIS 50 Ca 0.24 -3.86 0.15 0.00 -0.00 0.00 0.00 57.72 54.25 1niq n HIS 50 Cb 0.50 -0.38 0.67 0.00 -0.00 0.00 0.00 29.99 30.77 1niq n HIS 50 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1niq h PRO 51 N 4.49 0.00 -3.57 1.57 0.13 -1.76 -3.34 132.00 129.52 1niq h PRO 51 Ca 0.16 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.58 1niq h PRO 51 Cb 0.78 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.87 1niq h PRO 51 CO 0.63 0.09 3.12 0.41 -0.23 0.00 0.00 178.00 182.02 1niq n GLY 52 N -0.14 4.48 3.02 1.56 0.00 -1.26 -4.94 105.19 107.91 1niq n GLY 52 Ca -0.00 -1.67 -0.26 0.00 0.00 0.00 0.00 46.02 44.09 1niq n GLY 52 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1niq s LEU 53 N 1.03 1.61 -0.35 0.99 2.96 -1.25 -5.12 118.68 118.55 1niq s LEU 53 Ca 0.52 -0.33 -0.21 0.00 -0.22 0.00 0.00 54.13 53.90 1niq s LEU 53 Cb 0.15 -0.89 0.00 0.00 0.50 0.00 0.00 46.19 45.95 1niq s LEU 53 CO -0.07 0.01 0.67 -0.62 -1.32 0.00 0.00 176.35 175.02 1niq s ASP 54 N 0.84 6.47 0.58 3.68 2.15 -1.26 -5.01 116.67 124.13 1niq s ASP 54 Ca -0.11 0.25 0.28 0.00 0.43 0.00 0.00 52.55 53.41 1niq s ASP 54 Cb -0.15 -2.34 1.56 0.00 -0.30 0.00 0.00 42.92 41.68 1niq s ASP 54 CO 0.01 -0.60 2.00 -0.65 -0.17 0.00 0.00 175.17 175.77 1niq h PRO 55 N 8.41 0.00 -0.09 4.34 0.11 -1.95 -2.76 132.00 140.06 1niq h PRO 55 Ca -0.26 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.81 1niq h PRO 55 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1niq h PRO 55 CO 0.85 0.00 -0.10 -0.07 -0.21 0.00 0.00 178.00 178.47 1niq h LEU 56 N 0.00 0.24 -0.25 2.35 3.38 -1.95 -3.30 115.31 115.78 1niq h LEU 56 Ca 0.15 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1niq h LEU 56 Cb 0.82 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1niq h LEU 56 CO -0.00 0.69 0.00 0.00 0.09 0.00 0.00 178.44 179.22 1niq n ALA 57 N -2.40 2.40 -2.52 1.53 0.00 -1.08 -4.87 120.51 113.56 1niq n ALA 57 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.97 1niq n ALA 57 Cb 0.33 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 1niq n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1niq s SER 58 N -0.84 6.42 -1.48 0.00 0.15 -1.06 -4.94 113.70 111.95 1niq s SER 58 Ca 0.00 -1.48 -0.13 0.00 0.70 0.00 0.00 55.95 55.04 1niq s SER 58 Cb 0.00 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.76 1niq s SER 58 CO 0.00 -1.58 2.34 0.79 1.20 0.00 0.00 173.24 175.99 1niq n TRP 59 N 9.24 3.33 -3.62 3.44 7.02 -1.26 -4.85 117.44 130.74 1niq n TRP 59 Ca 0.35 -2.99 -0.29 0.00 -1.02 0.00 0.00 57.50 53.54 1niq n TRP 59 Cb 0.50 -2.52 -0.14 0.00 -2.42 0.00 0.00 31.31 26.73 1niq n TRP 59 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1niq s PHE 60 N 2.90 1.12 0.15 -5.99 0.08 -1.26 -5.12 117.98 109.86 1niq s PHE 60 Ca 0.51 -1.53 0.08 0.00 0.12 0.00 0.00 56.93 56.10 1niq s PHE 60 Cb 0.15 -1.33 -0.04 0.00 -0.57 0.00 0.00 43.02 41.22 1niq s PHE 60 CO -0.08 -0.84 -0.09 -1.54 -0.10 0.00 0.00 175.22 172.57 1niq s SER 61 N 1.51 4.35 -0.23 1.36 1.04 -1.26 -1.29 113.70 119.18 1niq s SER 61 Ca 0.12 -0.48 -0.13 0.00 0.48 0.00 0.00 55.95 55.93 1niq s SER 61 Cb -0.19 -0.79 0.07 0.00 0.10 0.00 0.00 66.02 65.21 1niq s SER 61 CO -0.21 0.13 0.56 0.00 0.98 0.00 0.00 173.24 174.70 1niq s LEU 64 N 0.14 4.97 -1.22 0.00 1.43 -0.40 -4.90 118.68 118.71 1niq s LEU 64 Ca 0.39 -0.83 -0.10 0.00 -1.03 0.00 0.00 54.13 52.57 1niq s LEU 64 Cb -0.20 -2.42 0.20 0.00 0.03 0.00 0.00 46.19 43.79 1niq s LEU 64 CO 0.23 -0.75 1.60 0.54 0.23 0.00 0.00 176.35 178.20 1niq n ARG 65 N 5.87 3.64 -3.15 1.70 1.74 -1.26 -1.84 116.66 123.35 1niq n ARG 65 Ca -0.07 -3.86 -0.39 0.00 -0.77 0.00 0.00 57.85 52.76 1niq n ARG 65 Cb 0.46 -2.88 -0.05 0.00 -1.02 0.00 0.00 32.46 28.97 1niq n ARG 65 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1niq s LEU 66 N -0.00 4.29 0.55 0.55 1.43 -1.22 -4.65 118.68 119.62 1niq s LEU 66 Ca 0.39 1.03 0.22 0.00 -1.03 0.00 0.00 54.13 54.74 1niq s LEU 66 Cb 0.03 -2.92 1.46 0.00 0.03 0.00 0.00 46.19 44.79 1niq s LEU 66 CO 0.01 -0.08 2.13 0.44 0.23 0.00 0.00 176.35 179.08 1niq h ASP 67 N 6.77 0.00 -4.16 2.29 5.19 -1.88 0.26 116.42 124.90 1niq h ASP 67 Ca -0.41 0.00 -0.69 0.00 -0.62 0.00 0.00 57.03 55.31 1niq h ASP 67 Cb 1.19 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 40.45 1niq h ASP 67 CO 0.76 0.00 -0.81 -0.62 -3.12 0.00 0.00 179.24 175.45 1niq s ASP 68 N -6.51 3.72 0.09 6.45 2.15 -1.26 -3.75 116.67 117.56 1niq s ASP 68 Ca -0.05 -0.33 0.15 0.00 0.43 0.00 0.00 52.55 52.75 1niq s ASP 68 Cb 0.17 -0.65 -0.12 0.00 -0.30 0.00 0.00 42.92 42.01 1niq s ASP 68 CO 0.64 0.32 0.96 0.25 -0.17 0.00 0.00 175.17 177.16 1niq h LEU 69 N 5.17 0.00 -0.79 -1.34 5.85 -1.74 -3.41 115.31 119.05 1niq h LEU 69 Ca -0.46 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 1niq h LEU 69 Cb 1.14 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 1niq h LEU 69 CO 0.49 0.68 0.42 0.00 -0.34 0.00 0.00 178.44 179.69 1niq h ALA 70 N 1.32 1.02 -0.02 1.25 0.00 -1.97 -2.88 119.26 117.98 1niq h ALA 70 Ca -0.14 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1niq h ALA 70 Cb 1.64 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1niq h ALA 70 CO 0.06 0.54 -0.11 1.49 0.00 0.00 0.00 179.25 181.23 1niq h GLU 71 N 1.10 -0.12 -0.29 0.00 4.22 -2.00 -1.94 114.58 115.56 1niq h GLU 71 Ca 0.28 0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.69 1niq h GLU 71 Cb 0.05 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1niq h GLU 71 CO -0.04 -0.08 0.04 0.35 -2.18 0.00 0.00 179.01 177.10 1niq h PHE 72 N -0.13 0.42 -0.25 0.92 3.57 -1.80 0.67 116.94 120.34 1niq h PHE 72 Ca 0.00 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 1niq h PHE 72 Cb 0.14 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1niq h PHE 72 CO -0.44 0.40 -0.23 -0.92 -2.23 0.00 0.00 178.31 174.89 1niq h TYR 73 N 0.41 0.72 -0.94 0.41 3.20 -1.58 -2.19 116.97 117.00 1niq h TYR 73 Ca 0.10 -0.21 0.04 0.00 3.14 0.00 0.00 58.73 61.80 1niq h TYR 73 Cb 0.21 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.27 1niq h TYR 73 CO 0.01 0.91 0.61 0.00 -1.64 0.00 0.00 178.16 178.05 1niq h ARG 74 N 0.32 1.13 -0.19 1.82 3.08 -1.16 -2.74 114.38 116.64 1niq h ARG 74 Ca 0.04 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.08 1niq h ARG 74 Cb 0.78 -0.25 -0.07 0.00 0.08 0.00 0.00 29.97 30.51 1niq h ARG 74 CO 0.06 0.75 -0.28 0.37 -1.07 0.00 0.00 179.97 179.80 1niq h GLN 75 N 1.16 -0.31 -0.39 0.04 4.15 -0.90 -1.36 115.11 117.51 1niq h GLN 75 Ca 0.38 0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.90 1niq h GLN 75 Cb 0.05 0.07 -0.07 0.00 0.21 0.00 0.00 27.48 27.73 1niq h GLN 75 CO -0.13 -0.20 -0.06 0.00 -1.93 0.00 0.00 178.83 176.50 1niq h LYS 77 N 0.03 1.15 -0.03 0.00 1.57 -1.49 -2.35 116.57 115.45 1niq h LYS 77 Ca 0.19 -0.20 -0.25 0.00 -1.87 0.00 0.00 60.65 58.52 1niq h LYS 77 Cb 0.28 -0.19 0.02 0.00 0.08 0.00 0.00 32.23 32.42 1niq h LYS 77 CO -0.37 0.92 -0.97 0.66 -0.57 0.00 0.00 179.45 179.11 1niq h SER 78 N 1.12 0.87 -0.30 0.86 4.64 -1.11 -3.36 113.55 116.26 1niq h SER 78 Ca 0.26 -0.67 -0.10 0.00 -0.47 0.00 0.00 61.79 60.81 1niq h SER 78 Cb 0.19 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 1niq h SER 78 CO -0.03 1.47 -0.16 -0.37 -0.87 0.00 0.00 176.83 176.87 1niq h VAL 79 N 0.41 1.26 0.00 0.95 -1.51 -1.25 -3.48 116.25 112.63 1niq h VAL 79 Ca -0.11 -1.23 0.00 0.00 -1.23 0.00 0.00 66.70 64.13 1niq h VAL 79 Cb 1.62 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.90 1niq h VAL 79 CO 0.19 0.42 0.00 0.61 -1.23 0.00 0.00 177.57 177.56 1niq n GLY 80 N -0.37 0.00 2.74 5.19 0.00 -1.19 -5.12 105.19 106.45 1niq n GLY 80 Ca 0.01 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 1niq n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1niq s ILE 81 N 0.00 0.31 0.14 -0.61 1.01 -0.89 -5.05 121.20 116.11 1niq s ILE 81 Ca 0.00 0.05 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 1niq s ILE 81 Cb 0.00 -0.56 -0.07 0.00 0.01 0.00 0.00 42.46 41.84 1niq s ILE 81 CO 0.00 0.15 0.94 0.00 0.00 0.00 0.00 174.94 176.04 1niq s GLN 82 N 1.99 4.73 -0.64 2.79 -2.07 -1.26 -4.31 119.66 120.88 1niq s GLN 82 Ca 0.04 1.44 -0.27 0.00 -1.82 0.00 0.00 55.36 54.75 1niq s GLN 82 Cb -0.13 -3.35 0.03 0.00 -1.09 0.00 0.00 33.01 28.47 1niq s GLN 82 CO -0.06 0.31 1.20 -2.00 -1.32 0.00 0.00 175.29 173.42 1niq s GLU 83 N -0.34 3.36 -0.13 9.60 2.12 -1.26 -2.56 118.70 129.48 1niq s GLU 83 Ca 0.45 -0.03 -0.10 0.00 0.36 0.00 0.00 54.97 55.66 1niq s GLU 83 Cb -0.24 -4.09 0.04 0.00 0.26 0.00 0.00 34.13 30.10 1niq s GLU 83 CO 0.30 -1.86 0.33 -0.08 -0.54 0.00 0.00 175.26 173.41 1niq s THR 84 N 5.16 -0.01 0.10 -1.70 -1.32 -1.22 -4.95 115.64 111.69 1niq s THR 84 Ca 0.38 0.05 -0.18 0.00 -1.21 0.00 0.00 61.69 60.73 1niq s THR 84 Cb -0.08 -0.48 -0.06 0.00 -1.51 0.00 0.00 72.50 70.37 1niq s THR 84 CO 0.20 0.02 1.59 0.77 -2.21 0.00 0.00 174.62 175.00 1niq h SER 85 N 6.31 0.43 -3.54 8.08 4.64 -1.94 -3.43 113.55 124.10 1niq h SER 85 Ca -0.32 -0.23 -0.63 0.00 -0.47 0.00 0.00 61.79 60.14 1niq h SER 85 Cb 1.18 -0.11 -0.17 0.00 -0.31 0.00 0.00 62.40 62.99 1niq h SER 85 CO 0.32 0.55 -0.55 -0.55 -0.87 0.00 0.00 176.83 175.73 1niq s SER 86 N -5.83 5.74 0.00 4.97 0.15 -1.26 -5.07 113.70 112.40 1niq s SER 86 Ca -0.13 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1niq s SER 86 Cb 0.08 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 1niq s SER 86 CO 0.74 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.85 1niq n GLY 87 N 4.27 3.81 3.07 9.45 0.00 -1.26 -5.07 105.19 119.46 1niq n GLY 87 Ca -0.16 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 1niq n GLY 87 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1niq s TYR 88 N -2.00 -0.70 0.49 1.61 1.13 -1.26 -4.33 117.35 112.29 1niq s TYR 88 Ca 0.00 1.12 -0.20 0.00 -1.41 0.00 0.00 57.07 56.58 1niq s TYR 88 Cb 0.00 0.11 -0.08 0.00 -1.10 0.00 0.00 41.96 40.89 1niq s TYR 88 CO 0.00 -0.53 1.06 -1.25 -2.51 0.00 0.00 175.55 172.31 1niq s PRO 89 N 2.54 3.73 0.04 -3.49 0.04 -1.25 -4.70 135.00 131.91 1niq s PRO 89 Ca 0.04 1.41 -0.05 0.00 0.04 0.00 0.00 61.00 62.44 1niq s PRO 89 Cb -0.13 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 1niq s PRO 89 CO -0.13 -0.50 0.08 -0.98 0.04 0.00 0.00 177.00 175.52 1niq s ARG 90 N -3.22 0.60 0.06 4.56 1.70 -0.84 -4.54 118.95 117.27 1niq s ARG 90 Ca 0.68 -0.81 0.05 0.00 -0.47 0.00 0.00 55.73 55.17 1niq s ARG 90 Cb -0.18 0.23 -0.03 0.00 -0.57 0.00 0.00 34.95 34.41 1niq s ARG 90 CO 0.21 -0.15 -0.13 0.96 -1.08 0.00 0.00 175.30 175.11 1niq s ILE 91 N -2.79 1.03 0.02 4.99 -4.36 -1.06 -0.66 121.20 118.37 1niq s ILE 91 Ca -0.03 -1.18 0.04 0.00 -0.26 0.00 0.00 60.65 59.21 1niq s ILE 91 Cb -0.00 -0.99 -0.02 0.00 1.25 0.00 0.00 42.46 42.71 1niq s ILE 91 CO -0.05 -0.18 -0.11 -1.00 0.24 0.00 0.00 174.94 173.83 1niq s HIS 92 N -1.16 0.99 0.84 1.37 3.76 -0.98 -3.40 115.29 116.72 1niq s HIS 92 Ca -0.02 -0.29 -0.12 0.00 -0.15 0.00 0.00 55.06 54.48 1niq s HIS 92 Cb -0.09 -0.61 0.10 0.00 1.11 0.00 0.00 32.58 33.09 1niq s HIS 92 CO 0.02 -0.00 1.10 0.00 -0.85 0.00 0.00 174.74 175.00 1niq s ALA 93 N -0.66 1.95 -0.17 -1.40 0.00 -1.26 -1.57 121.76 118.66 1niq s ALA 93 Ca 0.01 -0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.50 1niq s ALA 93 Cb -0.06 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1niq s ALA 93 CO 0.00 -2.00 1.83 -2.14 0.00 0.00 0.00 175.76 173.45 1niq s PRO 94 N -5.08 3.70 0.49 0.00 0.02 -1.26 -4.35 135.00 128.52 1niq s PRO 94 Ca 0.62 1.93 0.02 0.00 0.02 0.00 0.00 61.00 63.59 1niq s PRO 94 Cb -0.16 -4.14 -0.02 0.00 0.02 0.00 0.00 34.50 30.20 1niq s PRO 94 CO 0.55 -1.43 0.01 -1.21 -0.33 0.00 0.00 177.00 174.60 1niq s GLU 95 N 5.04 2.16 -0.02 5.54 2.02 -0.68 -4.87 118.70 127.89 1niq s GLU 95 Ca 0.82 -2.36 0.03 0.00 0.02 0.00 0.00 54.97 53.47 1niq s GLU 95 Cb -0.30 -1.46 -0.00 0.00 0.10 0.00 0.00 34.13 32.47 1niq s GLU 95 CO 0.33 -0.35 -0.11 -0.51 0.02 0.00 0.00 175.26 174.64 1niq s LEU 96 N -3.84 1.88 0.00 1.80 1.43 -1.26 -3.28 118.68 115.41 1niq s LEU 96 Ca 0.09 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1niq s LEU 96 Cb 0.02 -0.62 0.00 0.00 0.03 0.00 0.00 46.19 45.62 1niq s LEU 96 CO 0.05 0.10 0.00 0.00 0.23 0.00 0.00 176.35 176.73 1niq n GLN 97 N 3.12 0.00 -2.70 1.70 6.02 -1.26 -5.05 117.38 119.21 1niq n GLN 97 Ca -0.17 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.75 1niq n GLN 97 Cb 0.55 0.00 0.11 0.00 1.02 0.00 0.00 30.24 31.91 1niq n GLN 97 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1niq n GLU 98 N -0.39 1.11 0.00 -1.09 4.07 -0.97 -4.67 120.64 118.69 1niq n GLU 98 Ca 0.00 -1.74 0.00 0.00 -0.06 0.00 0.00 57.16 55.36 1niq n GLU 98 Cb 0.00 -0.12 0.00 0.00 -0.06 0.00 0.00 31.44 31.26 1niq n GLU 98 CO 0.00 0.00 0.00 -2.67 -0.06 0.00 0.00 177.13 174.40 1niq n TRP 99 N -0.50 0.00 0.00 4.31 4.27 -1.26 -3.93 117.44 120.33 1niq n TRP 99 Ca -0.04 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.57 1niq n TRP 99 Cb 0.82 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.77 1niq n TRP 99 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1niq n GLY 100 N 0.01 0.00 0.00 -1.67 0.00 -0.25 -4.87 105.19 98.41 1niq n GLY 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1niq n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1niq n GLY 101 N 1.89 3.38 3.18 -0.02 0.00 -0.76 -4.77 105.19 108.09 1niq n GLY 101 Ca 0.00 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 1niq n GLY 101 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1niq s THR 102 N 3.14 1.01 -0.03 2.61 -1.32 -1.21 -2.55 115.64 117.29 1niq s THR 102 Ca 0.00 -1.57 -0.05 0.00 -1.21 0.00 0.00 61.69 58.86 1niq s THR 102 Cb 0.00 -1.30 0.01 0.00 -1.51 0.00 0.00 72.50 69.70 1niq s THR 102 CO 0.00 -0.47 0.12 -0.32 -2.21 0.00 0.00 174.62 171.74 1niq s MET 103 N -2.53 0.28 0.41 7.08 0.00 -1.20 -3.97 119.30 119.36 1niq s MET 103 Ca 0.04 -0.08 0.01 0.00 0.00 0.00 0.00 55.69 55.66 1niq s MET 103 Cb -0.05 0.12 -0.00 0.00 0.00 0.00 0.00 34.83 34.90 1niq s MET 103 CO 0.01 -0.05 0.02 0.00 0.00 0.00 0.00 175.02 175.00 1niq n ALA 104 N 2.36 0.38 -2.71 4.11 0.00 -0.22 -1.68 120.51 122.75 1niq n ALA 104 Ca -0.17 -1.86 -0.17 0.00 0.00 0.00 0.00 53.44 51.25 1niq n ALA 104 Cb 0.58 1.05 -0.12 0.00 0.00 0.00 0.00 19.45 20.96 1niq n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1niq s ALA 105 N -2.75 1.05 -0.03 0.00 0.00 -0.61 -0.91 121.76 118.51 1niq s ALA 105 Ca 0.03 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 1niq s ALA 105 Cb 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.10 1niq s ALA 105 CO 0.02 0.11 0.05 -1.17 0.00 0.00 0.00 175.76 174.77 1niq s LEU 106 N -1.79 0.80 -0.04 0.00 2.96 -0.44 -2.32 118.68 117.86 1niq s LEU 106 Ca -0.03 0.09 0.07 0.00 -0.22 0.00 0.00 54.13 54.04 1niq s LEU 106 Cb -0.09 -0.02 -0.02 0.00 0.50 0.00 0.00 46.19 46.56 1niq s LEU 106 CO 0.02 -0.16 -0.25 -0.69 -1.32 0.00 0.00 176.35 173.94 1niq s VAL 107 N 1.35 2.07 0.42 1.68 1.01 0.17 -0.78 120.40 126.32 1niq s VAL 107 Ca -0.06 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 60.86 1niq s VAL 107 Cb -0.13 -1.73 0.08 0.00 0.00 0.00 0.00 36.38 34.61 1niq s VAL 107 CO -0.03 0.58 0.58 -0.90 0.00 0.00 0.00 175.10 175.32 1niq n ASP 108 N 2.65 0.99 0.20 3.32 5.75 -1.25 -1.98 116.55 126.23 1niq n ASP 108 Ca -0.17 -1.79 0.11 0.00 -0.01 0.00 0.00 54.79 52.94 1niq n ASP 108 Cb 0.51 -0.35 0.67 0.00 -1.03 0.00 0.00 41.12 40.92 1niq n ASP 108 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 1niq h PRO 109 N 0.00 0.00 -0.06 0.11 0.11 -1.94 -3.26 132.00 126.97 1niq h PRO 109 Ca -0.19 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.73 1niq h PRO 109 Cb 0.76 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 1niq h PRO 109 CO 0.23 0.00 -0.77 -0.44 -0.21 0.00 0.00 178.00 176.80 1niq h ASP 110 N 0.00 0.47 0.00 -2.05 3.32 -1.95 -3.47 116.42 112.74 1niq h ASP 110 Ca 0.06 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1niq h ASP 110 Cb 0.24 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1niq h ASP 110 CO -0.00 1.08 0.00 0.61 -1.72 0.00 0.00 179.24 179.21 1niq n GLY 111 N 0.64 0.62 3.29 2.75 0.00 -1.23 -4.09 105.19 107.17 1niq n GLY 111 Ca -0.05 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 1niq n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1niq s THR 112 N -1.12 3.15 -0.84 2.61 2.01 -1.26 -4.66 115.64 115.53 1niq s THR 112 Ca 0.00 -0.58 -0.18 0.00 0.31 0.00 0.00 61.69 61.24 1niq s THR 112 Cb 0.00 -2.41 0.14 0.00 0.01 0.00 0.00 72.50 70.24 1niq s THR 112 CO 0.00 0.45 0.98 -0.22 -0.69 0.00 0.00 174.62 175.14 1niq s LEU 113 N 1.30 5.41 -0.38 4.42 2.96 -0.41 -3.77 118.68 128.21 1niq s LEU 113 Ca 0.04 -2.01 -0.22 0.00 -0.22 0.00 0.00 54.13 51.72 1niq s LEU 113 Cb -0.14 -2.35 0.01 0.00 0.50 0.00 0.00 46.19 44.21 1niq s LEU 113 CO -0.04 -1.00 0.73 -0.76 -1.32 0.00 0.00 176.35 173.96 1niq s LEU 114 N 2.26 4.22 -0.37 -0.68 1.02 0.04 -2.09 118.68 123.07 1niq s LEU 114 Ca 0.26 0.16 -0.18 0.00 0.02 0.00 0.00 54.13 54.38 1niq s LEU 114 Cb -0.10 -2.92 0.00 0.00 0.02 0.00 0.00 46.19 43.20 1niq s LEU 114 CO -0.06 -0.72 0.51 -0.13 0.02 0.00 0.00 176.35 175.97 1niq s ARG 115 N 2.99 3.52 -0.24 1.70 0.52 -0.81 -1.33 118.95 125.30 1niq s ARG 115 Ca 0.28 -0.27 -0.10 0.00 -0.52 0.00 0.00 55.73 55.13 1niq s ARG 115 Cb -0.13 -3.84 -0.05 0.00 0.52 0.00 0.00 34.95 31.45 1niq s ARG 115 CO 0.17 -0.70 0.14 -0.51 0.02 0.00 0.00 175.30 174.42 1niq s LEU 116 N 2.39 3.95 0.00 2.53 1.43 -0.09 -1.27 118.68 127.62 1niq s LEU 116 Ca 0.18 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1niq s LEU 116 Cb -0.16 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.01 1niq s LEU 116 CO 0.14 0.04 0.00 -0.38 0.23 0.00 0.00 176.35 176.38 1niq n ILE 117 N 4.44 0.00 -3.08 -0.59 5.41 -0.76 -1.06 119.36 123.72 1niq n ILE 117 Ca -0.15 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.44 1niq n ILE 117 Cb 0.52 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.45 1niq n ILE 117 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1niq n GLN 118 N 0.00 0.97 -1.65 0.38 -0.06 -1.19 -3.46 117.38 112.36 1niq n GLN 118 Ca 0.00 -3.01 -0.45 0.00 -2.00 0.00 0.00 57.00 51.54 1niq n GLN 118 Cb 0.00 -1.52 -0.02 0.00 -4.06 0.00 0.00 30.24 24.63 1niq n GLN 118 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1niq n ASN 119 N 0.38 2.25 0.00 1.69 5.15 0.92 -0.89 115.26 124.75 1niq n ASN 119 Ca 0.20 1.16 0.00 0.00 -0.60 0.00 0.00 54.58 55.34 1niq n ASN 119 Cb 0.66 -1.38 0.00 0.00 -0.53 0.00 0.00 39.78 38.54 1niq n ASN 119 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1niq n GLU 120 N 1.47 0.00 0.00 1.20 4.71 -1.26 -3.64 120.64 123.12 1niq n GLU 120 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 1niq n GLU 120 Cb 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.74 1niq n GLU 120 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1niq n LEU 121 N 0.00 0.00 -0.33 -4.62 7.99 -1.26 -4.97 117.00 113.81 1niq n LEU 121 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 56.01 56.08 1niq n LEU 121 Cb 0.00 0.00 0.18 0.00 -0.11 0.00 0.00 43.42 43.49 1niq n LEU 121 CO 0.00 0.00 0.73 -0.07 -1.51 0.00 0.00 177.39 176.54 1niq h LEU 122 N 0.00 -0.68 0.00 2.23 3.38 -1.08 -3.43 115.31 115.73 1niq h LEU 122 Ca 0.00 0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1niq h LEU 122 Cb 0.00 0.52 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1niq h LEU 122 CO 0.00 -0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.22 1niq n ALA 123 N -3.33 0.00 -3.52 1.53 0.00 -1.26 -3.30 120.51 110.63 1niq n ALA 123 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.33 1niq n ALA 123 Cb 0.57 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.04 1niq n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1niq n GLY 124 N -0.12 -0.58 3.70 0.00 0.00 -1.25 -1.09 105.19 105.85 1niq n GLY 124 Ca 0.00 0.94 -0.44 0.00 0.00 0.00 0.00 46.02 46.52 1niq n GLY 124 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1niq n ILE 125 N -1.15 0.21 0.61 -0.61 5.41 -1.06 -4.48 119.36 118.28 1niq n ILE 125 Ca -0.14 -0.05 0.07 0.00 1.00 0.00 0.00 62.75 63.63 1niq n ILE 125 Cb 0.66 -1.79 0.06 0.00 -0.71 0.00 0.00 39.64 37.86 1niq n ILE 125 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01