#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 6.53 -0.19 8.00 2.15 -1.26 -5.04 116.67 126.85 1niq s ASP 3 Ca 0.00 2.88 -0.11 0.00 0.43 0.00 0.00 52.55 55.75 1niq s ASP 3 Cb 0.00 -2.66 0.06 0.00 -0.30 0.00 0.00 42.92 40.03 1niq s ASP 3 CO 0.00 -0.74 0.47 0.00 -0.17 0.00 0.00 175.17 174.73 1niq s GLN 4 N -1.74 0.47 -0.28 4.34 -2.07 -1.26 -5.11 119.66 114.01 1niq s GLN 4 Ca 0.53 0.86 -0.16 0.00 -1.82 0.00 0.00 55.36 54.76 1niq s GLN 4 Cb -0.44 0.04 -0.03 0.00 -1.09 0.00 0.00 33.01 31.49 1niq s GLN 4 CO 0.57 -0.15 0.44 0.00 -1.32 0.00 0.00 175.29 174.83 1niq s ALA 5 N 1.33 3.56 -0.04 2.60 0.00 -1.26 -5.10 121.76 122.86 1niq s ALA 5 Ca -0.09 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.06 1niq s ALA 5 Cb -0.07 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1niq s ALA 5 CO -0.13 -0.79 0.08 0.95 0.00 0.00 0.00 175.76 175.87 1niq s THR 6 N 2.20 4.81 -0.17 0.00 -4.23 -1.26 -5.10 115.64 111.88 1niq s THR 6 Ca 0.17 -0.28 -0.29 0.00 -1.18 0.00 0.00 61.69 60.12 1niq s THR 6 Cb -0.16 -3.16 -0.01 0.00 1.34 0.00 0.00 72.50 70.52 1niq s THR 6 CO 0.10 0.43 1.12 -2.16 -0.54 0.00 0.00 174.62 173.58 1niq s PRO 7 N -1.49 4.29 -0.28 3.99 0.04 -1.26 -5.00 135.00 135.28 1niq s PRO 7 Ca 0.20 1.49 -0.15 0.00 0.04 0.00 0.00 61.00 62.58 1niq s PRO 7 Cb -0.12 -3.65 -0.03 0.00 0.04 0.00 0.00 34.50 30.73 1niq s PRO 7 CO 0.11 -0.59 0.37 -0.80 0.04 0.00 0.00 177.00 176.13 1niq s ASN 8 N 1.45 6.24 0.17 6.66 0.02 -1.26 -2.33 114.94 125.89 1niq s ASN 8 Ca 0.49 0.22 0.06 0.00 -1.02 0.00 0.00 52.86 52.61 1niq s ASN 8 Cb -0.19 -2.21 -0.04 0.00 0.02 0.00 0.00 41.25 38.83 1niq s ASN 8 CO 0.12 -0.20 -0.12 -0.76 0.02 0.00 0.00 177.10 176.16 1niq s LEU 9 N 2.07 2.53 0.01 0.60 1.43 0.27 -4.98 118.68 120.61 1niq s LEU 9 Ca 0.15 -1.00 -0.19 0.00 -1.03 0.00 0.00 54.13 52.06 1niq s LEU 9 Cb -0.16 -0.50 -0.06 0.00 0.03 0.00 0.00 46.19 45.51 1niq s LEU 9 CO 0.10 -0.25 0.53 -2.16 0.23 0.00 0.00 176.35 174.80 1niq s PRO 10 N -3.61 4.20 -0.11 1.29 0.04 -1.26 -1.09 135.00 134.46 1niq s PRO 10 Ca 0.18 0.63 -0.01 0.00 0.04 0.00 0.00 61.00 61.84 1niq s PRO 10 Cb 0.01 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 31.28 1niq s PRO 10 CO 0.03 0.49 -0.05 0.45 0.04 0.00 0.00 177.00 177.97 1niq s SER 11 N -0.56 2.11 -0.05 6.66 0.15 -0.36 -4.87 113.70 116.79 1niq s SER 11 Ca 0.28 -0.30 -0.12 0.00 0.70 0.00 0.00 55.95 56.51 1niq s SER 11 Cb -0.18 -0.73 -0.06 0.00 -1.71 0.00 0.00 66.02 63.34 1niq s SER 11 CO 0.16 -0.15 0.48 0.03 1.20 0.00 0.00 173.24 174.96 1niq h ARG 12 N 8.22 -0.40 -6.31 5.44 3.08 -1.87 -0.18 114.38 122.36 1niq h ARG 12 Ca -0.26 0.03 -0.69 0.00 0.07 0.00 0.00 59.98 59.13 1niq h ARG 12 Cb 1.13 0.09 -0.22 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 0.00 179.97 178.59 1niq s ASP 13 N -5.01 4.20 -0.05 7.04 2.15 -1.26 -4.35 116.67 119.40 1niq s ASP 13 Ca -0.06 -0.18 -0.26 0.00 0.43 0.00 0.00 52.55 52.48 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 0.18 0.33 1.16 -0.26 -0.17 0.00 0.00 175.17 176.41 1niq h PHE 14 N 5.15 0.01 -0.96 -5.34 -1.00 -1.99 -2.17 116.94 110.64 1niq h PHE 14 Ca -0.47 -0.00 0.01 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 0.52 0.60 0.64 -0.44 -1.61 0.00 0.00 178.31 178.03 1niq h ASP 15 N -0.59 1.10 -0.09 2.17 3.32 -1.99 -1.43 116.42 118.90 1niq h ASP 15 Ca -0.00 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.06 1niq h ASP 15 Cb 0.60 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.84 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 -2.19 113.55 116.59 1niq h SER 16 Ca 0.36 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1niq h SER 16 Cb -0.12 0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1niq h SER 16 CO -0.08 -0.25 -0.03 0.74 -1.14 0.00 0.00 176.83 176.06 1niq h THR 17 N -0.27 1.18 -0.43 -2.27 2.02 -1.42 -3.37 112.91 108.35 1niq h THR 17 Ca 0.09 -0.93 0.06 0.00 0.77 0.00 0.00 66.41 66.39 1niq h THR 17 Cb 0.39 1.78 -0.05 0.00 -1.74 0.00 0.00 68.15 68.53 1niq h THR 17 CO -0.25 0.23 0.15 0.00 0.37 0.00 0.00 175.52 176.02 1niq h ALA 18 N 0.36 0.51 -0.83 6.16 0.00 -1.31 -3.17 119.26 120.98 1niq h ALA 18 Ca -0.01 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.05 1niq h ALA 18 Cb 0.45 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1niq h ALA 18 CO 0.02 -0.24 0.54 0.00 0.00 0.00 0.00 179.25 179.56 1niq h ALA 19 N 1.29 1.72 -0.12 0.00 0.00 -1.57 -0.47 119.26 120.11 1niq h ALA 19 Ca 0.20 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1niq h ALA 19 Cb 0.20 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1niq h ALA 19 CO -0.21 0.11 -0.09 0.35 0.00 0.00 0.00 179.25 179.40 1niq h PHE 20 N 0.78 -0.22 -0.15 0.00 3.57 -1.71 -3.05 116.94 116.16 1niq h PHE 20 Ca 0.38 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.71 1niq h PHE 20 Cb 0.44 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 1niq h PHE 20 CO -0.00 -0.14 -0.67 1.88 -2.23 0.00 0.00 178.31 177.15 1niq h TYR 21 N -0.10 0.77 0.00 0.41 0.05 -1.45 -3.22 116.97 113.43 1niq h TYR 21 Ca 0.08 -0.31 -0.07 0.00 0.05 0.00 0.00 58.73 58.48 1niq h TYR 21 Cb 0.21 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 1niq h TYR 21 CO -0.21 1.09 -0.33 1.49 -1.05 0.00 0.00 178.16 179.14 1niq h GLU 22 N 0.42 0.00 -0.82 4.88 4.81 -1.14 -1.56 114.58 121.18 1niq h GLU 22 Ca -0.02 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.33 1niq h GLU 22 Cb 1.25 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.55 1niq h GLU 22 CO 0.13 0.33 0.44 0.00 -0.73 0.00 0.00 179.01 179.17 1niq h ARG 23 N 0.00 0.67 -1.00 1.92 3.08 -1.62 -3.12 114.38 114.31 1niq h ARG 23 Ca -0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1niq h ARG 23 Cb 0.67 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1niq h ARG 23 CO 0.04 0.44 0.03 1.28 -1.07 0.00 0.00 179.97 180.70 1niq n LEU 24 N -4.82 3.05 0.00 3.04 4.77 -0.68 -4.90 117.00 117.46 1niq n LEU 24 Ca 0.15 -1.54 0.00 0.00 -0.03 0.00 0.00 56.01 54.59 1niq n LEU 24 Cb 0.34 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1niq n LEU 24 CO 0.24 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 1niq n GLY 25 N 0.39 2.37 3.48 -0.72 0.00 -1.18 -4.98 105.19 104.55 1niq n GLY 25 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.90 3.14 0.61 1.61 0.40 -0.67 -4.07 117.98 116.09 1niq s PHE 26 Ca 0.00 -1.59 -0.17 0.00 -0.60 0.00 0.00 56.93 54.57 1niq s PHE 26 Cb 0.00 -4.39 -0.03 0.00 0.51 0.00 0.00 43.02 39.11 1niq s PHE 26 CO 0.00 -1.55 1.12 0.20 0.70 0.00 0.00 175.22 175.70 1niq s GLY 27 N 3.60 2.40 -1.14 4.36 0.00 -1.11 -3.50 107.32 111.92 1niq s GLY 27 Ca 0.40 0.70 -0.21 0.00 0.00 0.00 0.00 44.72 45.60 1niq s GLY 27 CO -0.05 1.05 1.63 -0.42 0.00 0.00 0.00 173.10 175.31 1niq s ILE 28 N -2.05 3.96 0.14 0.90 1.01 -1.26 -1.85 121.20 122.05 1niq s ILE 28 Ca 0.70 -1.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.03 1niq s ILE 28 Cb -0.23 -5.04 -0.13 0.00 0.01 0.00 0.00 42.46 37.08 1niq s ILE 28 CO 0.35 -1.88 1.38 -0.37 0.00 0.00 0.00 174.94 174.42 1niq h VAL 29 N 6.25 1.33 -3.92 2.92 -1.51 -1.88 -3.45 116.25 116.00 1niq h VAL 29 Ca 0.30 -2.08 -0.33 0.00 -1.23 0.00 0.00 66.70 63.37 1niq h VAL 29 Cb 0.94 2.06 -0.28 0.00 -2.13 0.00 0.00 31.29 31.89 1niq h VAL 29 CO 1.42 0.64 -0.76 0.12 -1.23 0.00 0.00 177.57 177.76 1niq s PHE 30 N -3.66 0.51 -0.20 5.19 2.19 -1.24 -5.04 117.98 115.73 1niq s PHE 30 Ca -0.08 -0.10 -0.09 0.00 0.33 0.00 0.00 56.93 57.00 1niq s PHE 30 Cb 0.10 -0.33 0.08 0.00 -1.31 0.00 0.00 43.02 41.56 1niq s PHE 30 CO 0.87 -0.01 0.45 0.50 1.83 0.00 0.00 175.22 178.86 1niq s ARG 31 N -0.14 0.40 0.00 10.12 3.52 -1.26 -2.10 118.95 129.48 1niq s ARG 31 Ca 0.02 0.95 0.00 0.00 -0.13 0.00 0.00 55.73 56.57 1niq s ARG 31 Cb -0.02 0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.54 1niq s ARG 31 CO -0.00 -0.20 0.00 -0.40 -0.81 0.00 0.00 175.30 173.89 1niq n ASP 32 N 4.77 0.00 0.00 -2.12 5.68 -1.17 -5.07 116.55 118.63 1niq n ASP 32 Ca -0.17 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.12 1niq n ASP 32 Cb 0.53 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 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 -2.75 0.00 0.07 2.12 0.00 -1.26 -4.96 120.51 113.73 1niq n ALA 33 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1niq n ALA 33 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -4.91 0.00 0.00 -1.97 -3.43 103.07 92.76 1niq h GLY 34 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 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 -2.83 0.70 -0.22 5.60 -0.11 -1.26 -1.40 118.94 119.42 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 0.09 -0.43 0.11 0.00 -1.50 0.00 0.00 33.47 31.74 1niq s TRP 35 CO 0.79 -0.04 0.25 1.41 -4.62 0.00 0.00 176.95 174.74 1niq s MET 36 N -1.14 0.23 -0.32 5.86 -2.45 -0.39 -3.07 119.30 118.03 1niq s MET 36 Ca -0.05 0.20 -0.17 0.00 -1.25 0.00 0.00 55.69 54.43 1niq s MET 36 Cb -0.08 -1.02 -0.01 0.00 1.25 0.00 0.00 34.83 34.96 1niq s MET 36 CO 0.00 -0.70 0.45 0.42 1.05 0.00 0.00 175.02 176.24 1niq s ILE 37 N 2.36 5.09 -0.32 10.11 1.01 -0.89 -0.97 121.20 137.59 1niq s ILE 37 Ca 0.08 0.37 -0.06 0.00 0.00 0.00 0.00 60.65 61.05 1niq s ILE 37 Cb -0.15 -3.87 0.03 0.00 0.01 0.00 0.00 42.46 38.48 1niq s ILE 37 CO -0.16 -0.08 0.08 -0.76 0.00 0.00 0.00 174.94 174.02 1niq s LEU 38 N 2.23 4.12 -0.14 2.97 1.43 -0.37 -2.80 118.68 126.12 1niq s LEU 38 Ca 0.17 -1.05 -0.01 0.00 -1.03 0.00 0.00 54.13 52.21 1niq s LEU 38 Cb -0.16 -1.85 0.04 0.00 0.03 0.00 0.00 46.19 44.26 1niq s LEU 38 CO 0.12 -0.28 -0.03 -1.58 0.23 0.00 0.00 176.35 174.81 1niq s GLN 39 N 1.41 1.12 -1.16 1.70 0.74 -0.77 -1.64 119.66 121.05 1niq s GLN 39 Ca -0.01 -0.32 -0.13 0.00 0.05 0.00 0.00 55.36 54.94 1niq s GLN 39 Cb -0.19 -1.73 0.19 0.00 1.10 0.00 0.00 33.01 32.37 1niq s GLN 39 CO 0.02 -0.42 1.35 0.50 -0.55 0.00 0.00 175.29 176.19 1niq s ARG 40 N 1.76 4.06 4.63 1.67 3.52 -1.05 -2.75 118.95 130.80 1niq s ARG 40 Ca 0.02 -2.62 0.00 0.00 -0.13 0.00 0.00 55.73 53.00 1niq s ARG 40 Cb -0.15 -4.96 0.00 0.00 -1.56 0.00 0.00 34.95 28.29 1niq s ARG 40 CO -0.07 -1.67 0.00 0.41 -0.81 0.00 0.00 175.30 173.16 1niq n GLY 41 N 3.98 1.30 0.15 8.12 0.00 -1.26 -2.47 105.19 115.00 1niq n GLY 41 Ca 0.33 0.21 0.04 0.00 0.00 0.00 0.00 46.02 46.60 1niq n GLY 41 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1niq h ASP 42 N 0.00 0.00 -0.72 1.61 3.32 -2.02 -3.44 116.42 115.17 1niq h ASP 42 Ca 0.00 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.59 1niq h ASP 42 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1niq h ASP 42 CO 0.00 0.40 1.39 -0.76 -1.72 0.00 0.00 179.24 178.55 1niq s LEU 43 N -6.27 3.36 -0.19 1.55 1.43 -1.03 -4.98 118.68 112.54 1niq s LEU 43 Ca 0.03 -1.67 -0.27 0.00 -1.03 0.00 0.00 54.13 51.19 1niq s LEU 43 Cb 0.07 -2.58 -0.00 0.00 0.03 0.00 0.00 46.19 43.71 1niq s LEU 43 CO 0.74 -2.25 0.92 -0.32 0.23 0.00 0.00 176.35 175.67 1niq s MET 44 N 5.72 4.28 -0.22 1.70 1.75 -1.26 -2.52 119.30 128.76 1niq s MET 44 Ca 0.61 1.17 0.01 0.00 -1.25 0.00 0.00 55.69 56.23 1niq s MET 44 Cb -0.00 -3.60 0.03 0.00 2.84 0.00 0.00 34.83 34.10 1niq s MET 44 CO 0.06 -0.45 -0.15 -0.51 -0.65 0.00 0.00 175.02 173.32 1niq s LEU 45 N 2.58 2.73 -0.54 4.11 1.43 -0.65 -4.49 118.68 123.84 1niq s LEU 45 Ca 0.41 -0.93 -0.18 0.00 -1.03 0.00 0.00 54.13 52.40 1niq s LEU 45 Cb -0.16 -1.53 0.09 0.00 0.03 0.00 0.00 46.19 44.62 1niq s LEU 45 CO 0.10 -0.08 0.60 -1.61 0.23 0.00 0.00 176.35 175.59 1niq s GLU 46 N 1.23 3.04 -0.46 1.70 2.02 -0.98 -1.24 118.70 124.01 1niq s GLU 46 Ca -0.00 -1.31 -0.17 0.00 0.02 0.00 0.00 54.97 53.50 1niq s GLU 46 Cb -0.16 -4.22 0.05 0.00 0.10 0.00 0.00 34.13 29.90 1niq s GLU 46 CO -0.09 -1.35 0.45 -0.06 0.02 0.00 0.00 175.26 174.23 1niq s PHE 47 N 2.28 3.18 0.29 1.61 0.08 -0.14 -0.56 117.98 124.71 1niq s PHE 47 Ca 0.09 -0.64 -0.16 0.00 0.12 0.00 0.00 56.93 56.34 1niq s PHE 47 Cb -0.24 -3.11 -0.09 0.00 -0.57 0.00 0.00 43.02 39.01 1niq s PHE 47 CO 0.07 -0.80 0.73 -0.59 -0.10 0.00 0.00 175.22 174.53 1niq s PHE 48 N 2.02 3.46 -0.48 0.36 -0.12 -0.25 -1.26 117.98 121.72 1niq s PHE 48 Ca 0.09 1.27 -0.27 0.00 -0.05 0.00 0.00 56.93 57.97 1niq s PHE 48 Cb -0.20 -2.56 -0.03 0.00 -0.63 0.00 0.00 43.02 39.60 1niq s PHE 48 CO 0.10 0.18 1.95 0.00 -0.05 0.00 0.00 175.22 177.40 1niq s ALA 49 N -1.83 2.34 -0.54 1.99 0.00 -0.49 -1.23 121.76 122.00 1niq s ALA 49 Ca 0.50 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.36 1niq s ALA 49 Cb -0.12 -4.20 0.23 0.00 0.00 0.00 0.00 23.12 19.02 1niq s ALA 49 CO 0.19 -3.52 0.58 1.58 0.00 0.00 0.00 175.76 174.59 1niq n HIS 50 N 12.42 1.68 0.26 0.00 -0.00 -0.08 -4.91 115.22 124.60 1niq n HIS 50 Ca 0.24 -3.88 0.15 0.00 -0.00 0.00 0.00 57.72 54.24 1niq n HIS 50 Cb 0.50 -0.39 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 -3.56 1.57 0.13 -1.76 -3.34 132.00 129.53 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 31.86 1niq h PRO 51 CO 0.64 0.08 3.12 0.41 -0.23 0.00 0.00 178.00 182.02 1niq n GLY 52 N -0.13 4.48 3.02 1.56 0.00 -1.26 -4.94 105.19 107.92 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 1.02 1.61 -0.35 0.99 2.96 -1.25 -5.12 118.68 118.54 1niq s LEU 53 Ca 0.52 -0.33 -0.21 0.00 -0.22 0.00 0.00 54.13 53.89 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 0.00 176.35 175.03 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 0.26 0.28 0.00 0.43 0.00 0.00 52.55 53.41 1niq s ASP 54 Cb -0.15 -2.34 1.55 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 0.00 175.17 175.76 1niq h PRO 55 N 8.40 0.00 -0.09 4.34 0.11 -1.95 -2.76 132.00 140.07 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 0.23 -0.24 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 41.51 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 -0.85 6.41 -1.49 0.00 0.15 -1.06 -4.94 113.70 111.93 1niq s SER 58 Ca 0.00 -1.49 -0.13 0.00 0.70 0.00 0.00 55.95 55.03 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 -1.59 2.36 0.79 1.20 0.00 0.00 173.24 176.00 1niq n TRP 59 N 9.29 3.32 -3.62 3.44 7.02 -1.26 -4.84 117.44 130.80 1niq n TRP 59 Ca 0.35 -3.00 -0.29 0.00 -1.02 0.00 0.00 57.50 53.54 1niq n TRP 59 Cb 0.50 -2.54 -0.14 0.00 -2.42 0.00 0.00 31.31 26.72 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 2.95 1.21 0.13 -5.99 0.08 -1.26 -5.12 117.98 109.98 1niq s PHE 60 Ca 0.51 -1.68 0.06 0.00 0.12 0.00 0.00 56.93 55.94 1niq s PHE 60 Cb 0.15 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 41.19 1niq s PHE 60 CO -0.08 -0.83 -0.03 -1.54 -0.10 0.00 0.00 175.22 172.63 1niq s SER 61 N 1.28 4.74 -0.21 1.36 1.04 -1.26 -1.29 113.70 119.37 1niq s SER 61 Ca 0.14 -0.33 -0.12 0.00 0.48 0.00 0.00 55.95 56.12 1niq s SER 61 Cb -0.20 -1.02 0.07 0.00 0.10 0.00 0.00 66.02 64.96 1niq s SER 61 CO -0.15 0.14 0.52 0.00 0.98 0.00 0.00 173.24 174.73 1niq s LEU 64 N 0.55 4.64 -0.99 0.00 1.43 -0.70 -4.91 118.68 118.70 1niq s LEU 64 Ca 0.41 -0.64 -0.19 0.00 -1.03 0.00 0.00 54.13 52.68 1niq s LEU 64 Cb -0.19 -2.61 0.12 0.00 0.03 0.00 0.00 46.19 43.54 1niq s LEU 64 CO 0.22 -0.95 1.24 -0.13 0.23 0.00 0.00 176.35 176.96 1niq s ARG 65 N 3.01 3.67 -0.19 1.70 0.52 -1.26 -1.71 118.95 124.69 1niq s ARG 65 Ca 0.21 -1.77 -0.14 0.00 -0.52 0.00 0.00 55.73 53.51 1niq s ARG 65 Cb -0.16 -5.03 -0.04 0.00 0.52 0.00 0.00 34.95 30.23 1niq s ARG 65 CO 0.15 -1.86 0.30 -0.51 0.02 0.00 0.00 175.30 173.41 1niq s LEU 66 N 2.96 4.18 0.51 2.53 1.43 -0.62 -4.91 118.68 124.76 1niq s LEU 66 Ca 0.37 0.42 0.31 0.00 -1.03 0.00 0.00 54.13 54.20 1niq s LEU 66 Cb -0.03 -2.37 1.18 0.00 0.03 0.00 0.00 46.19 44.99 1niq s LEU 66 CO -0.08 0.02 1.91 0.44 0.23 0.00 0.00 176.35 178.87 1niq h ASP 67 N 7.12 0.00 -3.55 2.29 3.32 -1.93 -2.50 116.42 121.18 1niq h ASP 67 Ca -0.38 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 55.99 1niq h ASP 67 Cb 1.16 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.40 1niq h ASP 67 CO 0.72 0.00 -0.85 -0.62 -1.72 0.00 0.00 179.24 176.77 1niq s ASP 68 N -5.65 3.30 0.28 6.45 2.15 -1.26 -4.73 116.67 117.22 1niq s ASP 68 Ca 0.02 -0.49 0.24 0.00 0.43 0.00 0.00 52.55 52.75 1niq s ASP 68 Cb 0.08 -1.27 0.32 0.00 -0.30 0.00 0.00 42.92 41.76 1niq s ASP 68 CO 0.55 0.19 1.43 0.25 -0.17 0.00 0.00 175.17 177.42 1niq h LEU 69 N 6.47 0.00 -0.50 -1.34 5.85 -1.86 -3.41 115.31 120.51 1niq h LEU 69 Ca -0.25 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 1niq h LEU 69 Cb 1.21 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 1niq h LEU 69 CO 0.49 0.02 0.11 0.00 -0.34 0.00 0.00 178.44 178.72 1niq h ALA 70 N 2.18 0.67 0.06 1.25 0.00 -1.98 -3.11 119.26 118.33 1niq h ALA 70 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1niq h ALA 70 Cb 0.91 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1niq h ALA 70 CO 0.00 0.37 -0.20 1.49 0.00 0.00 0.00 179.25 180.91 1niq h GLU 71 N 0.70 -0.29 -0.28 0.00 4.22 -2.00 -2.30 114.58 114.63 1niq h GLU 71 Ca 0.16 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.61 1niq h GLU 71 Cb 0.35 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1niq h GLU 71 CO 0.00 -0.19 0.13 0.35 -2.18 0.00 0.00 179.01 177.12 1niq h PHE 72 N -0.30 0.38 -0.21 0.92 3.57 -1.83 0.81 116.94 120.28 1niq h PHE 72 Ca -0.00 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 1niq h PHE 72 Cb 0.30 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 1niq h PHE 72 CO -0.34 0.29 -0.27 -0.92 -2.23 0.00 0.00 178.31 174.85 1niq h TYR 73 N 0.39 0.67 -0.92 0.41 3.20 -1.61 -2.31 116.97 116.80 1niq h TYR 73 Ca 0.10 -0.21 0.06 0.00 3.14 0.00 0.00 58.73 61.81 1niq h TYR 73 Cb 0.05 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.13 1niq h TYR 73 CO 0.00 0.92 0.58 0.00 -1.64 0.00 0.00 178.16 178.03 1niq h ARG 74 N 0.22 1.05 -0.17 1.82 3.08 -1.16 -2.70 114.38 116.52 1niq h ARG 74 Ca 0.03 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.06 1niq h ARG 74 Cb 0.84 -0.24 -0.07 0.00 0.08 0.00 0.00 29.97 30.58 1niq h ARG 74 CO 0.06 0.69 -0.29 0.37 -1.07 0.00 0.00 179.97 179.74 1niq h GLN 75 N 1.08 -0.33 -0.40 0.04 4.15 -0.89 -1.46 115.11 117.30 1niq h GLN 75 Ca 0.39 0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.91 1niq h GLN 75 Cb 0.13 0.07 -0.07 0.00 0.21 0.00 0.00 27.48 27.82 1niq h GLN 75 CO -0.16 -0.22 -0.05 0.00 -1.93 0.00 0.00 178.83 176.47 1niq h LYS 77 N 0.04 1.13 -0.04 0.00 1.57 -1.49 -2.38 116.57 115.41 1niq h LYS 77 Ca 0.19 -0.19 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 1niq h LYS 77 Cb 0.29 -0.19 0.02 0.00 0.08 0.00 0.00 32.23 32.42 1niq h LYS 77 CO -0.37 0.90 -0.96 0.66 -0.57 0.00 0.00 179.45 179.11 1niq h SER 78 N 1.10 0.87 -0.31 0.86 4.64 -1.13 -3.36 113.55 116.22 1niq h SER 78 Ca 0.26 -0.66 -0.10 0.00 -0.47 0.00 0.00 61.79 60.82 1niq h SER 78 Cb 0.18 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 1niq h SER 78 CO -0.03 1.46 -0.15 -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 -1.24 -3.48 116.25 112.64 1niq h VAL 79 Ca -0.10 -1.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.15 1niq h VAL 79 Cb 1.60 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.88 1niq h VAL 79 CO 0.19 0.41 0.00 0.61 -1.23 0.00 0.00 177.57 177.55 1niq n GLY 80 N -0.38 -0.00 2.74 5.19 0.00 -1.19 -5.12 105.19 106.42 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 0.29 0.15 -0.61 1.01 -0.90 -5.05 121.20 116.08 1niq s ILE 81 Ca 0.00 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.42 1niq s ILE 81 Cb 0.00 -0.54 -0.07 0.00 0.01 0.00 0.00 42.46 41.86 1niq s ILE 81 CO 0.00 0.15 0.94 0.00 0.00 0.00 0.00 174.94 176.03 1niq s GLN 82 N 2.00 4.73 -0.64 2.79 -2.07 -1.26 -4.31 119.66 120.90 1niq s GLN 82 Ca 0.04 1.43 -0.27 0.00 -1.82 0.00 0.00 55.36 54.74 1niq s GLN 82 Cb -0.13 -3.35 0.03 0.00 -1.09 0.00 0.00 33.01 28.48 1niq s GLN 82 CO -0.05 0.32 1.19 -2.00 -1.32 0.00 0.00 175.29 173.42 1niq s GLU 83 N -0.37 3.37 -0.14 9.60 2.12 -1.26 -2.42 118.70 129.59 1niq s GLU 83 Ca 0.44 -0.01 -0.10 0.00 0.36 0.00 0.00 54.97 55.66 1niq s GLU 83 Cb -0.24 -4.08 0.04 0.00 0.26 0.00 0.00 34.13 30.11 1niq s GLU 83 CO 0.30 -1.83 0.35 -0.08 -0.54 0.00 0.00 175.26 173.45 1niq s THR 84 N 5.10 -0.02 0.11 -1.70 -1.32 -1.20 -4.95 115.64 111.66 1niq s THR 84 Ca 0.38 0.06 -0.18 0.00 -1.21 0.00 0.00 61.69 60.74 1niq s THR 84 Cb -0.08 -0.50 -0.05 0.00 -1.51 0.00 0.00 72.50 70.35 1niq s THR 84 CO 0.21 0.02 1.62 0.77 -2.21 0.00 0.00 174.62 175.03 1niq h SER 85 N 6.39 0.42 -3.54 8.08 4.64 -1.94 -3.43 113.55 124.17 1niq h SER 85 Ca -0.32 -0.20 -0.63 0.00 -0.47 0.00 0.00 61.79 60.16 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 0.31 0.52 -0.55 -0.55 -0.87 0.00 0.00 176.83 175.69 1niq s SER 86 N -5.79 5.75 0.00 4.97 0.15 -1.26 -5.07 113.70 112.45 1niq s SER 86 Ca -0.13 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.54 1niq s SER 86 Cb 0.08 -2.03 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 3.78 3.09 9.45 0.00 -1.26 -5.07 105.19 119.44 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 -0.73 0.46 1.61 1.13 -1.26 -4.32 117.35 112.25 1niq s TYR 88 Ca 0.00 1.17 -0.22 0.00 -1.41 0.00 0.00 57.07 56.61 1niq s TYR 88 Cb 0.00 0.14 -0.08 0.00 -1.10 0.00 0.00 41.96 40.91 1niq s TYR 88 CO 0.00 -0.54 1.07 -1.25 -2.51 0.00 0.00 175.55 172.31 1niq s PRO 89 N 2.55 3.86 0.03 -3.49 0.04 -1.25 -4.71 135.00 132.03 1niq s PRO 89 Ca 0.04 1.48 -0.03 0.00 0.04 0.00 0.00 61.00 62.53 1niq s PRO 89 Cb -0.13 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 1niq s PRO 89 CO -0.13 -0.40 0.04 -0.98 0.04 0.00 0.00 177.00 175.57 1niq s ARG 90 N -2.95 0.47 0.08 4.56 1.70 -0.82 -4.53 118.95 117.46 1niq s ARG 90 Ca 0.64 -0.72 0.06 0.00 -0.47 0.00 0.00 55.73 55.25 1niq s ARG 90 Cb -0.20 0.18 -0.03 0.00 -0.57 0.00 0.00 34.95 34.33 1niq s ARG 90 CO 0.25 -0.10 -0.17 0.96 -1.08 0.00 0.00 175.30 175.15 1niq s ILE 91 N -2.20 1.38 0.01 4.99 -4.36 -1.02 -0.84 121.20 119.16 1niq s ILE 91 Ca -0.09 -1.35 0.04 0.00 -0.26 0.00 0.00 60.65 58.99 1niq s ILE 91 Cb -0.04 -1.27 -0.01 0.00 1.25 0.00 0.00 42.46 42.38 1niq s ILE 91 CO -0.03 -0.11 -0.13 -1.00 0.24 0.00 0.00 174.94 173.91 1niq s HIS 92 N -1.15 1.20 0.87 1.37 3.76 -1.02 -3.23 115.29 117.08 1niq s HIS 92 Ca 0.02 -0.26 -0.11 0.00 -0.15 0.00 0.00 55.06 54.56 1niq s HIS 92 Cb -0.10 -0.75 0.11 0.00 1.11 0.00 0.00 32.58 32.95 1niq s HIS 92 CO 0.03 -0.00 1.11 0.00 -0.85 0.00 0.00 174.74 175.02 1niq s ALA 93 N -0.48 1.70 -0.77 -1.40 0.00 -1.26 -1.67 121.76 117.88 1niq s ALA 93 Ca 0.04 0.29 -0.26 0.00 0.00 0.00 0.00 51.96 52.03 1niq s ALA 93 Cb -0.06 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 1niq s ALA 93 CO 0.00 -2.33 2.28 -2.14 0.00 0.00 0.00 175.76 173.56 1niq s PRO 94 N -4.80 1.93 0.16 0.00 0.02 -1.26 -4.31 135.00 126.74 1niq s PRO 94 Ca 0.64 0.43 -0.05 0.00 0.02 0.00 0.00 61.00 62.04 1niq s PRO 94 Cb -0.20 -4.80 -0.06 0.00 0.02 0.00 0.00 34.50 29.46 1niq s PRO 94 CO 0.57 -3.97 0.40 -1.21 -0.33 0.00 0.00 177.00 172.46 1niq s GLU 95 N 8.29 3.64 0.26 5.54 2.02 -1.23 -4.86 118.70 132.37 1niq s GLU 95 Ca 0.87 -0.04 -0.30 0.00 0.02 0.00 0.00 54.97 55.52 1niq s GLU 95 Cb -0.12 -2.81 -0.09 0.00 0.10 0.00 0.00 34.13 31.20 1niq s GLU 95 CO 0.09 0.44 1.11 -0.51 0.02 0.00 0.00 175.26 176.41 1niq s LEU 96 N -2.70 4.54 0.04 1.80 1.43 -1.26 -2.49 118.68 120.03 1niq s LEU 96 Ca 0.42 2.26 0.08 0.00 -1.03 0.00 0.00 54.13 55.85 1niq s LEU 96 Cb -0.12 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 1niq s LEU 96 CO 0.24 -0.18 -0.21 -1.10 0.23 0.00 0.00 176.35 175.34 1niq s GLN 97 N -1.24 2.00 -1.56 1.70 -1.52 -0.76 -4.96 119.66 113.31 1niq s GLN 97 Ca 0.46 -1.01 -0.09 0.00 -1.95 0.00 0.00 55.36 52.76 1niq s GLN 97 Cb -0.32 -2.12 -0.04 0.00 -0.22 0.00 0.00 33.01 30.31 1niq s GLN 97 CO 0.40 0.54 2.82 0.39 -0.25 0.00 0.00 175.29 179.19 1niq n GLU 98 N 1.69 3.85 0.11 2.91 -0.58 -1.26 -3.97 120.64 123.39 1niq n GLU 98 Ca -0.16 -2.47 0.00 0.00 -0.42 0.00 0.00 57.16 54.11 1niq n GLU 98 Cb 0.52 -2.79 0.00 0.00 -0.57 0.00 0.00 31.44 28.60 1niq n GLU 98 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1niq n TRP 99 N 3.32 -3.32 0.00 -0.32 4.27 -1.26 -5.13 117.44 115.01 1niq n TRP 99 Ca 0.74 0.76 0.00 0.00 -3.89 0.00 0.00 57.50 55.12 1niq n TRP 99 Cb 0.24 2.12 0.00 0.00 -1.36 0.00 0.00 31.31 32.31 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 -1.28 -0.16 0.00 -1.67 0.00 -1.25 -5.16 105.19 95.66 1niq n GLY 100 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.17 0.64 3.27 -0.02 0.00 -1.26 -4.80 105.19 103.18 1niq n GLY 101 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.82 0.01 -0.05 2.61 -1.32 -1.26 -1.83 115.64 114.62 1niq s THR 102 Ca 0.00 -0.08 -0.00 0.00 -1.21 0.00 0.00 61.69 60.40 1niq s THR 102 Cb 0.00 -0.55 0.03 0.00 -1.51 0.00 0.00 72.50 70.46 1niq s THR 102 CO 0.00 -0.05 -0.02 -0.32 -2.21 0.00 0.00 174.62 172.03 1niq s MET 103 N -0.09 0.62 0.43 7.08 0.00 -1.04 -1.35 119.30 124.95 1niq s MET 103 Ca -0.03 0.02 0.08 0.00 0.00 0.00 0.00 55.69 55.76 1niq s MET 103 Cb -0.03 -0.80 0.02 0.00 0.00 0.00 0.00 34.83 34.01 1niq s MET 103 CO 0.01 -0.18 0.59 0.00 0.00 0.00 0.00 175.02 175.45 1niq s ALA 104 N 1.34 4.54 0.06 4.11 0.00 -0.66 -3.50 121.76 127.66 1niq s ALA 104 Ca -0.05 -1.71 0.07 0.00 0.00 0.00 0.00 51.96 50.28 1niq s ALA 104 Cb -0.13 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 1niq s ALA 104 CO -0.02 -0.33 -0.15 0.00 0.00 0.00 0.00 175.76 175.25 1niq s ALA 105 N -2.38 2.72 -0.10 0.00 0.00 -0.67 -0.62 121.76 120.71 1niq s ALA 105 Ca 0.56 -1.21 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 1niq s ALA 105 Cb -0.10 -0.79 0.04 0.00 0.00 0.00 0.00 23.12 22.27 1niq s ALA 105 CO 0.34 0.59 0.03 -1.17 0.00 0.00 0.00 175.76 175.55 1niq s LEU 106 N -1.71 0.57 -0.09 0.00 2.96 -0.63 -2.45 118.68 117.33 1niq s LEU 106 Ca 0.17 -0.24 0.00 0.00 -0.22 0.00 0.00 54.13 53.84 1niq s LEU 106 Cb -0.11 -0.38 -0.03 0.00 0.50 0.00 0.00 46.19 46.18 1niq s LEU 106 CO 0.08 -0.24 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.09 1niq s VAL 107 N 2.01 3.53 0.40 1.68 1.01 -0.02 -1.02 120.40 128.00 1niq s VAL 107 Ca 0.04 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1niq s VAL 107 Cb -0.13 -2.46 0.08 0.00 0.00 0.00 0.00 36.38 33.86 1niq s VAL 107 CO -0.06 0.56 0.55 -0.90 0.00 0.00 0.00 175.10 175.26 1niq n ASP 108 N 2.73 0.85 0.19 3.32 5.75 -1.25 -1.94 116.55 126.20 1niq n ASP 108 Ca -0.18 -1.69 0.12 0.00 -0.01 0.00 0.00 54.79 53.03 1niq n ASP 108 Cb 0.53 -0.35 0.67 0.00 -1.03 0.00 0.00 41.12 40.94 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 -0.05 0.11 0.11 -1.94 -3.25 132.00 126.98 1niq h PRO 109 Ca -0.18 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.74 1niq h PRO 109 Cb 0.70 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 1niq h PRO 109 CO 0.21 0.00 -0.78 -0.44 -0.21 0.00 0.00 178.00 176.77 1niq h ASP 110 N 0.00 0.45 0.00 -2.05 3.32 -1.95 -3.47 116.42 112.73 1niq h ASP 110 Ca 0.08 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1niq h ASP 110 Cb 0.31 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1niq h ASP 110 CO -0.00 1.07 0.00 0.61 -1.72 0.00 0.00 179.24 179.20 1niq n GLY 111 N 0.66 0.58 3.31 2.75 0.00 -1.23 -4.08 105.19 107.18 1niq n GLY 111 Ca -0.05 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.08 3.36 -0.93 2.61 2.01 -1.26 -4.67 115.64 115.68 1niq s THR 112 Ca 0.00 -0.50 -0.18 0.00 0.31 0.00 0.00 61.69 61.32 1niq s THR 112 Cb 0.00 -2.53 0.14 0.00 0.01 0.00 0.00 72.50 70.12 1niq s THR 112 CO 0.00 0.42 1.11 -0.22 -0.69 0.00 0.00 174.62 175.24 1niq s LEU 113 N 1.48 5.14 -0.45 4.42 2.96 -0.41 -3.81 118.68 128.01 1niq s LEU 113 Ca 0.06 -2.09 -0.25 0.00 -0.22 0.00 0.00 54.13 51.62 1niq s LEU 113 Cb -0.14 -2.39 0.03 0.00 0.50 0.00 0.00 46.19 44.19 1niq s LEU 113 CO -0.03 -1.03 0.92 -0.76 -1.32 0.00 0.00 176.35 174.12 1niq s LEU 114 N 2.54 4.01 -0.52 -0.68 1.02 -0.19 -2.19 118.68 122.67 1niq s LEU 114 Ca 0.32 0.15 -0.22 0.00 0.02 0.00 0.00 54.13 54.40 1niq s LEU 114 Cb -0.05 -3.19 0.05 0.00 0.02 0.00 0.00 46.19 43.01 1niq s LEU 114 CO -0.09 -1.03 0.79 -0.13 0.02 0.00 0.00 176.35 175.90 1niq s ARG 115 N 3.72 3.25 -0.82 1.70 0.52 -0.74 -1.61 118.95 124.98 1niq s ARG 115 Ca 0.37 -0.51 -0.20 0.00 -0.52 0.00 0.00 55.73 54.87 1niq s ARG 115 Cb -0.10 -4.06 0.11 0.00 0.52 0.00 0.00 34.95 31.42 1niq s ARG 115 CO 0.26 -1.33 1.04 -0.51 0.02 0.00 0.00 175.30 174.77 1niq s LEU 116 N 3.32 4.87 -0.04 2.53 1.43 0.21 -1.72 118.68 129.28 1niq s LEU 116 Ca 0.24 -1.66 -0.20 0.00 -1.03 0.00 0.00 54.13 51.47 1niq s LEU 116 Cb -0.15 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 1niq s LEU 116 CO 0.16 -1.19 0.58 -0.63 0.23 0.00 0.00 176.35 175.51 1niq s ILE 117 N 3.12 4.99 -0.35 -0.59 1.01 -0.69 -1.65 121.20 127.04 1niq s ILE 117 Ca 0.28 1.20 -0.27 0.00 0.00 0.00 0.00 60.65 61.85 1niq s ILE 117 Cb -0.10 -3.92 0.02 0.00 0.01 0.00 0.00 42.46 38.47 1niq s ILE 117 CO -0.02 0.38 1.01 -1.58 0.00 0.00 0.00 174.94 174.72 1niq s GLN 118 N 0.11 3.94 0.51 2.79 2.00 -0.46 -1.59 119.66 126.95 1niq s GLN 118 Ca 0.31 0.80 -0.20 0.00 -2.00 0.00 0.00 55.36 54.27 1niq s GLN 118 Cb -0.17 -3.78 -0.07 0.00 0.80 0.00 0.00 33.01 29.79 1niq s GLN 118 CO 0.16 -0.95 1.11 -0.80 -0.50 0.00 0.00 175.29 174.30 1niq s ASN 119 N 1.82 6.01 0.00 6.67 0.01 -0.94 -4.32 114.94 124.18 1niq s ASN 119 Ca 0.42 2.13 0.00 0.00 -0.71 0.00 0.00 52.86 54.70 1niq s ASN 119 Cb -0.12 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.96 1niq s ASN 119 CO 0.18 -1.02 0.00 -0.62 -1.51 0.00 0.00 177.10 174.13 1niq n GLU 120 N -1.02 3.25 -0.22 -0.60 4.71 -1.26 -4.96 120.64 120.55 1niq n GLU 120 Ca 0.10 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.17 1niq n GLU 120 Cb 0.51 0.00 0.05 0.00 -1.01 0.00 0.00 31.44 30.99 1niq n GLU 120 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1niq h LEU 121 N 0.00 1.03 -6.14 -4.62 -0.00 -2.00 -3.25 115.31 100.33 1niq h LEU 121 Ca 0.00 -0.26 -0.72 0.00 -0.00 0.00 0.00 57.88 56.90 1niq h LEU 121 Cb 0.00 -0.27 -0.07 0.00 -0.00 0.00 0.00 40.66 40.32 1niq h LEU 121 CO 0.00 1.04 2.85 0.18 -0.00 0.00 0.00 178.44 182.52 1niq n LEU 122 N -4.20 6.78 -4.40 1.67 4.77 -1.26 -4.92 117.00 115.44 1niq n LEU 122 Ca 0.04 -4.26 -0.41 0.00 -0.03 0.00 0.00 56.01 51.35 1niq n LEU 122 Cb 0.31 -1.62 -0.01 0.00 -2.33 0.00 0.00 43.42 39.77 1niq n LEU 122 CO 0.43 1.16 2.03 0.00 -1.33 0.00 0.00 177.39 179.68 1niq n ALA 123 N 5.60 3.61 -2.50 -1.18 0.00 -1.23 -4.92 120.51 119.88 1niq n ALA 123 Ca 0.49 -3.70 -0.40 0.00 0.00 0.00 0.00 53.44 49.82 1niq n ALA 123 Cb 0.38 -3.58 -0.02 0.00 0.00 0.00 0.00 19.45 16.23 1niq n ALA 123 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1niq s GLY 124 N 4.43 1.27 -0.32 0.00 0.00 -1.26 -4.96 107.32 106.48 1niq s GLY 124 Ca 0.55 -2.49 -0.28 0.00 0.00 0.00 0.00 44.72 42.50 1niq s GLY 124 CO 0.06 2.82 1.88 -0.42 0.00 0.00 0.00 173.10 177.44 1niq s ILE 125 N 5.44 3.39 -2.07 0.90 1.01 -1.26 -5.26 121.20 123.35 1niq s ILE 125 Ca 0.53 0.39 0.31 0.00 0.00 0.00 0.00 60.65 61.88 1niq s ILE 125 Cb 0.01 -3.54 0.86 0.00 0.01 0.00 0.00 42.46 39.80 1niq s ILE 125 CO 0.00 -0.35 2.16 -1.54 0.00 0.00 0.00 174.94 175.21