#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ikc s VAL 2 N 0.00 3.77 -0.04 6.31 1.01 -1.26 -4.09 120.40 126.11 3ikc s VAL 2 Ca 0.00 1.26 0.05 0.00 0.00 0.00 0.00 61.98 63.29 3ikc s VAL 2 Cb 0.00 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 3ikc s VAL 2 CO 0.00 0.08 -0.18 -0.04 0.00 0.00 0.00 175.10 174.97 3ikc s MET 3 N 1.26 1.72 -0.12 2.72 -1.94 -0.18 -5.00 119.30 117.77 3ikc s MET 3 Ca 0.61 -0.63 -0.01 0.00 -1.71 0.00 0.00 55.69 53.95 3ikc s MET 3 Cb -0.32 -1.53 0.04 0.00 2.01 0.00 0.00 34.83 35.03 3ikc s MET 3 CO 0.29 0.29 -0.01 -0.51 -0.01 0.00 0.00 175.02 175.07 3ikc s LEU 4 N -0.09 0.92 -0.13 -0.03 1.02 -1.26 -2.57 118.68 116.54 3ikc s LEU 4 Ca -0.01 -0.35 0.00 0.00 0.02 0.00 0.00 54.13 53.79 3ikc s LEU 4 Cb -0.10 -0.59 0.02 0.00 0.02 0.00 0.00 46.19 45.54 3ikc s LEU 4 CO 0.01 -0.21 -0.13 -0.69 0.02 0.00 0.00 176.35 175.36 3ikc s VAL 5 N 1.87 1.41 0.30 -1.59 1.01 -0.23 -3.95 120.40 119.21 3ikc s VAL 5 Ca 0.03 -0.54 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 3ikc s VAL 5 Cb -0.14 -1.33 -0.07 0.00 0.00 0.00 0.00 36.38 34.84 3ikc s VAL 5 CO -0.07 0.43 0.64 -1.61 0.00 0.00 0.00 175.10 174.49 3ikc s GLU 6 N 1.44 3.82 0.22 2.72 8.01 -1.26 -1.30 118.70 132.34 3ikc s GLU 6 Ca 0.02 0.36 -0.14 0.00 0.01 0.00 0.00 54.97 55.22 3ikc s GLU 6 Cb -0.13 -2.55 0.01 0.00 -4.31 0.00 0.00 34.13 27.15 3ikc s GLU 6 CO -0.08 0.19 0.47 -1.12 0.01 0.00 0.00 175.26 174.73 3ikc s SER 7 N -2.63 -0.13 0.00 -0.19 0.01 -0.06 -4.85 113.70 105.84 3ikc s SER 7 Ca 0.49 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 57.01 3ikc s SER 7 Cb -0.11 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.69 3ikc s SER 7 CO 0.24 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.42 3ikc n GLY 8 N -0.34 0.16 3.59 3.44 0.00 -1.26 -1.84 105.19 108.93 3ikc n GLY 8 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 3ikc n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ikc s GLY 9 N -2.04 1.55 0.00 -0.02 0.00 -1.26 -4.86 107.32 100.69 3ikc s GLY 9 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.18 3ikc s GLY 9 CO 0.00 0.21 0.00 0.61 0.00 0.00 0.00 173.10 173.92 3ikc n GLY 10 N -0.53 0.76 3.74 0.20 0.00 -0.37 -4.96 105.19 104.03 3ikc n GLY 10 Ca 0.07 -1.74 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 3ikc n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ikc s LEU 11 N 0.00 4.32 0.00 0.99 2.96 -1.26 -1.31 118.68 124.38 3ikc s LEU 11 Ca 0.00 0.94 0.01 0.00 -0.22 0.00 0.00 54.13 54.87 3ikc s LEU 11 Cb 0.00 -2.79 -0.01 0.00 0.50 0.00 0.00 46.19 43.89 3ikc s LEU 11 CO 0.00 0.02 -0.05 0.54 -1.32 0.00 0.00 176.35 175.54 3ikc s VAL 12 N 0.41 0.36 0.29 1.68 0.11 -0.66 -4.97 120.40 117.62 3ikc s VAL 12 Ca 0.29 -0.31 -0.24 0.00 -2.93 0.00 0.00 61.98 58.78 3ikc s VAL 12 Cb -0.16 -0.33 -0.09 0.00 -1.53 0.00 0.00 36.38 34.27 3ikc s VAL 12 CO 0.13 0.02 0.87 -1.10 -3.33 0.00 0.00 175.10 171.69 3ikc s GLN 13 N -0.32 4.47 0.27 1.54 -1.52 -1.26 -1.67 119.66 121.16 3ikc s GLN 13 Ca -0.00 1.17 -0.30 0.00 -1.95 0.00 0.00 55.36 54.28 3ikc s GLN 13 Cb -0.03 -2.81 -0.13 0.00 -0.22 0.00 0.00 33.01 29.82 3ikc s GLN 13 CO -0.00 0.31 1.36 -2.30 -0.25 0.00 0.00 175.29 174.41 3ikc n PRO 14 N 0.58 2.04 0.00 2.91 -0.02 -1.26 -1.75 135.00 137.50 3ikc n PRO 14 Ca 0.01 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3ikc n PRO 14 Cb 0.50 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3ikc n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ikc n GLY 15 N 1.76 3.10 2.44 -1.23 0.00 -0.37 -4.97 105.19 105.91 3ikc n GLY 15 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 3ikc n GLY 15 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ikc n ASN 16 N 0.12 -0.06 -4.46 1.61 3.02 -0.72 -3.90 115.26 110.88 3ikc n ASN 16 Ca 0.00 -1.28 -0.23 0.00 -0.03 0.00 0.00 54.58 53.04 3ikc n ASN 16 Cb 0.00 -0.65 -0.10 0.00 -0.61 0.00 0.00 39.78 38.42 3ikc n ASN 16 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3ikc s SER 17 N -4.05 3.17 -0.15 6.41 0.01 -1.26 -0.97 113.70 116.87 3ikc s SER 17 Ca 0.48 -1.13 -0.12 0.00 1.31 0.00 0.00 55.95 56.48 3ikc s SER 17 Cb -0.01 -0.24 0.04 0.00 0.21 0.00 0.00 66.02 66.02 3ikc s SER 17 CO 0.34 -0.20 0.38 -0.22 0.41 0.00 0.00 173.24 173.95 3ikc s LEU 18 N -3.48 0.43 -0.14 2.44 2.96 0.36 -4.98 118.68 116.27 3ikc s LEU 18 Ca 0.29 0.78 -0.01 0.00 -0.22 0.00 0.00 54.13 54.97 3ikc s LEU 18 Cb 0.01 1.29 -0.01 0.00 0.50 0.00 0.00 46.19 47.98 3ikc s LEU 18 CO 0.13 -0.14 -0.12 -0.60 -1.32 0.00 0.00 176.35 174.30 3ikc s ARG 19 N 0.45 3.39 0.09 1.98 3.52 -1.26 -0.08 118.95 127.03 3ikc s ARG 19 Ca -0.02 -0.67 0.04 0.00 -0.13 0.00 0.00 55.73 54.95 3ikc s ARG 19 Cb -0.04 -2.70 -0.04 0.00 -1.56 0.00 0.00 34.95 30.62 3ikc s ARG 19 CO -0.02 0.15 0.04 -0.51 -0.81 0.00 0.00 175.30 174.14 3ikc s LEU 20 N 0.53 3.62 0.18 -0.88 1.43 -0.25 -4.65 118.68 118.66 3ikc s LEU 20 Ca -0.08 -0.10 0.07 0.00 -1.03 0.00 0.00 54.13 52.99 3ikc s LEU 20 Cb -0.15 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 3ikc s LEU 20 CO 0.04 0.17 -0.14 -0.94 0.23 0.00 0.00 176.35 175.71 3ikc s SER 21 N -2.36 2.31 -0.40 2.29 1.04 -0.77 -0.78 113.70 115.03 3ikc s SER 21 Ca 0.27 -0.98 0.03 0.00 0.48 0.00 0.00 55.95 55.76 3ikc s SER 21 Cb -0.12 -0.10 0.16 0.00 0.10 0.00 0.00 66.02 66.07 3ikc s SER 21 CO 0.20 -0.20 0.36 0.00 0.98 0.00 0.00 173.24 174.59 3ikc s ALA 23 N 0.54 3.38 0.20 0.00 0.00 -0.42 -1.85 121.76 123.62 3ikc s ALA 23 Ca 0.27 1.41 0.02 0.00 0.00 0.00 0.00 51.96 53.66 3ikc s ALA 23 Cb -0.05 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 3ikc s ALA 23 CO -0.12 -0.98 0.04 0.95 0.00 0.00 0.00 175.76 175.65 3ikc s THR 24 N -1.19 0.62 -0.09 0.00 -4.23 -0.65 -1.07 115.64 109.03 3ikc s THR 24 Ca 0.56 -1.99 -0.32 0.00 -1.18 0.00 0.00 61.69 58.76 3ikc s THR 24 Cb -0.42 -2.31 0.12 0.00 1.34 0.00 0.00 72.50 71.23 3ikc s THR 24 CO 0.56 -0.30 1.10 -0.94 -0.54 0.00 0.00 174.62 174.50 3ikc s SER 25 N -3.22 -0.20 0.00 3.99 1.04 -1.06 -4.85 113.70 109.39 3ikc s SER 25 Ca 0.29 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.68 3ikc s SER 25 Cb 0.07 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.43 3ikc s SER 25 CO 0.08 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.50 3ikc n GLY 26 N -0.20 0.68 3.54 7.32 0.00 -1.26 -1.01 105.19 114.26 3ikc n GLY 26 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 3ikc n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ikc s PHE 27 N -2.39 -0.11 -0.78 1.61 -0.71 -1.26 -4.42 117.98 109.92 3ikc s PHE 27 Ca 0.00 -0.24 -0.26 0.00 -1.04 0.00 0.00 56.93 55.40 3ikc s PHE 27 Cb 0.00 0.40 0.01 0.00 -1.21 0.00 0.00 43.02 42.22 3ikc s PHE 27 CO 0.00 -0.94 1.58 0.99 -1.34 0.00 0.00 175.22 175.52 3ikc s THR 28 N -3.88 3.61 0.20 -4.49 2.01 -1.26 -4.88 115.64 106.95 3ikc s THR 28 Ca 0.10 0.02 -0.15 0.00 0.31 0.00 0.00 61.69 61.96 3ikc s THR 28 Cb -0.01 -4.52 0.20 0.00 0.01 0.00 0.00 72.50 68.18 3ikc s THR 28 CO -0.02 -1.46 1.63 0.15 -0.69 0.00 0.00 174.62 174.23 3ikc h PHE 29 N 11.65 -0.40 0.00 4.92 3.57 -1.96 -0.78 116.94 133.94 3ikc h PHE 29 Ca -0.13 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.43 3ikc h PHE 29 Cb 1.07 0.27 0.00 0.00 2.79 0.00 0.00 35.95 40.08 3ikc h PHE 29 CO 1.14 -0.28 0.00 0.25 -2.23 0.00 0.00 178.31 177.20 3ikc n THR 30 N -5.42 0.69 0.72 4.41 -2.24 -1.26 -1.82 114.28 109.37 3ikc n THR 30 Ca 0.06 0.17 0.13 0.00 -2.27 0.00 0.00 64.05 62.15 3ikc n THR 30 Cb 0.32 -0.92 0.42 0.00 -2.10 0.00 0.00 70.33 68.04 3ikc n THR 30 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3ikc n ASP 31 N -1.35 0.60 -4.39 3.42 8.00 -0.30 -1.33 116.55 121.20 3ikc n ASP 31 Ca 0.06 0.46 -0.32 0.00 0.71 0.00 0.00 54.79 55.70 3ikc n ASP 31 Cb 0.13 -0.55 -0.15 0.00 -0.02 0.00 0.00 41.12 40.54 3ikc n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3ikc s TYR 32 N -3.08 2.54 0.57 1.24 2.02 -0.76 -4.34 117.35 115.54 3ikc s TYR 32 Ca 0.11 -0.34 -0.20 0.00 -0.37 0.00 0.00 57.07 56.26 3ikc s TYR 32 Cb 0.14 -1.59 -0.04 0.00 -0.40 0.00 0.00 41.96 40.08 3ikc s TYR 32 CO 0.60 0.04 1.29 0.71 -1.57 0.00 0.00 175.55 176.63 3ikc s TYR 33 N -0.58 2.30 -0.05 2.71 1.51 0.13 -3.89 117.35 119.48 3ikc s TYR 33 Ca 0.08 1.44 0.04 0.00 -1.01 0.00 0.00 57.07 57.63 3ikc s TYR 33 Cb -0.11 -3.67 -0.00 0.00 -0.11 0.00 0.00 41.96 38.06 3ikc s TYR 33 CO 0.00 -2.65 -0.18 -1.64 -1.11 0.00 0.00 175.55 169.97 3ikc s MET 34 N -3.09 1.93 0.24 -0.62 -1.94 0.11 -0.98 119.30 114.95 3ikc s MET 34 Ca 0.75 -0.65 0.10 0.00 -1.71 0.00 0.00 55.69 54.18 3ikc s MET 34 Cb -0.37 -1.66 -0.04 0.00 2.01 0.00 0.00 34.83 34.77 3ikc s MET 34 CO 0.42 0.25 -0.07 -1.12 -0.01 0.00 0.00 175.02 174.49 3ikc s SER 35 N 0.06 4.29 -0.02 3.03 0.01 -0.70 -0.82 113.70 119.54 3ikc s SER 35 Ca -0.05 -0.69 0.06 0.00 1.31 0.00 0.00 55.95 56.58 3ikc s SER 35 Cb -0.12 -0.71 -0.02 0.00 0.21 0.00 0.00 66.02 65.37 3ikc s SER 35 CO 0.03 0.04 -0.19 0.26 0.41 0.00 0.00 173.24 173.78 3ikc s TRP 36 N -2.15 2.53 -0.01 2.43 0.52 -0.64 -1.63 118.94 119.99 3ikc s TRP 36 Ca 0.29 -0.28 0.02 0.00 0.02 0.00 0.00 56.10 56.15 3ikc s TRP 36 Cb -0.07 -1.55 -0.00 0.00 -1.15 0.00 0.00 33.47 30.70 3ikc s TRP 36 CO 0.17 0.11 -0.06 0.08 0.02 0.00 0.00 176.95 177.28 3ikc s VAL 37 N -0.72 0.49 0.25 4.03 1.01 0.01 -1.80 120.40 123.68 3ikc s VAL 37 Ca 0.11 -0.24 0.10 0.00 0.00 0.00 0.00 61.98 61.96 3ikc s VAL 37 Cb -0.10 -0.43 -0.05 0.00 0.00 0.00 0.00 36.38 35.80 3ikc s VAL 37 CO 0.01 0.15 -0.18 0.00 0.00 0.00 0.00 175.10 175.08 3ikc s ARG 38 N 0.01 1.55 -0.25 2.72 1.70 -0.35 0.11 118.95 124.44 3ikc s ARG 38 Ca 0.00 -1.70 -0.02 0.00 -0.47 0.00 0.00 55.73 53.54 3ikc s ARG 38 Cb -0.04 -1.54 0.14 0.00 -0.57 0.00 0.00 34.95 32.93 3ikc s ARG 38 CO -0.00 0.28 0.37 -1.14 -1.08 0.00 0.00 175.30 173.72 3ikc s GLN 39 N -3.55 0.35 0.50 3.89 0.74 0.19 -0.52 119.66 121.26 3ikc s GLN 39 Ca 0.27 0.37 -0.23 0.00 0.05 0.00 0.00 55.36 55.82 3ikc s GLN 39 Cb -0.04 -0.51 -0.06 0.00 1.10 0.00 0.00 33.01 33.50 3ikc s GLN 39 CO 0.12 -0.76 1.29 -2.14 -0.55 0.00 0.00 175.29 173.26 3ikc s PRO 40 N 2.51 3.44 -0.25 1.67 0.02 -1.26 -0.55 135.00 140.58 3ikc s PRO 40 Ca 0.11 2.09 -0.40 0.00 0.02 0.00 0.00 61.00 62.82 3ikc s PRO 40 Cb -0.15 -2.37 -0.16 0.00 0.02 0.00 0.00 34.50 31.84 3ikc s PRO 40 CO -0.20 -0.90 1.66 -2.30 -0.33 0.00 0.00 177.00 174.93 3ikc n PRO 41 N -0.71 1.00 -1.16 5.54 -0.02 -1.26 -0.51 135.00 137.88 3ikc n PRO 41 Ca 0.08 0.37 -0.06 0.00 -2.02 0.00 0.00 63.50 61.87 3ikc n PRO 41 Cb 0.46 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.89 3ikc n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ikc n GLY 42 N 3.89 0.77 3.80 -1.23 0.00 -1.26 -5.00 105.19 106.17 3ikc n GLY 42 Ca 0.26 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3ikc n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ikc s LYS 43 N -2.03 2.22 0.66 1.61 -0.14 0.33 -5.14 119.74 117.25 3ikc s LYS 43 Ca 0.00 -2.34 -0.11 0.00 -1.36 0.00 0.00 55.97 52.16 3ikc s LYS 43 Cb 0.00 -1.64 -0.02 0.00 -1.68 0.00 0.00 37.83 34.49 3ikc s LYS 43 CO 0.00 -0.43 1.05 0.00 -0.76 0.00 0.00 175.35 175.21 3ikc s ALA 44 N -2.87 2.91 0.41 5.17 0.00 -1.26 -4.70 121.76 121.42 3ikc s ALA 44 Ca 0.10 -0.05 -0.26 0.00 0.00 0.00 0.00 51.96 51.75 3ikc s ALA 44 Cb 0.00 -3.11 -0.09 0.00 0.00 0.00 0.00 23.12 19.93 3ikc s ALA 44 CO 0.06 -0.95 1.28 -0.51 0.00 0.00 0.00 175.76 175.65 3ikc s LEU 45 N -5.34 4.20 -0.15 0.00 1.43 -1.26 -4.42 118.68 113.14 3ikc s LEU 45 Ca 0.56 2.60 -0.02 0.00 -1.03 0.00 0.00 54.13 56.25 3ikc s LEU 45 Cb -0.12 -3.93 0.05 0.00 0.03 0.00 0.00 46.19 42.21 3ikc s LEU 45 CO 0.54 -0.84 0.02 -0.70 0.23 0.00 0.00 176.35 175.60 3ikc s GLU 46 N -2.27 0.67 0.23 1.70 2.12 0.33 -4.99 118.70 116.49 3ikc s GLU 46 Ca 0.57 -0.24 -0.30 0.00 0.36 0.00 0.00 54.97 55.36 3ikc s GLU 46 Cb -0.37 -1.72 -0.10 0.00 0.26 0.00 0.00 34.13 32.21 3ikc s GLU 46 CO 0.47 -0.51 1.44 -0.46 -0.54 0.00 0.00 175.26 175.66 3ikc s TRP 47 N 1.89 3.04 -0.20 5.30 -0.00 -1.26 -1.21 118.94 126.49 3ikc s TRP 47 Ca 0.01 1.00 -0.01 0.00 -0.00 0.00 0.00 56.10 57.09 3ikc s TRP 47 Cb -0.15 -3.81 -0.12 0.00 -0.00 0.00 0.00 33.47 29.38 3ikc s TRP 47 CO -0.07 -2.69 -0.20 1.28 -0.00 0.00 0.00 176.95 175.27 3ikc n LEU 48 N 2.56 2.62 0.00 5.86 4.77 -0.75 -4.67 117.00 127.40 3ikc n LEU 48 Ca 0.08 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3ikc n LEU 48 Cb 0.40 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3ikc n LEU 48 CO 0.60 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 178.02 3ikc n GLY 49 N 2.32 0.19 3.21 -0.72 0.00 -1.25 0.23 105.19 109.17 3ikc n GLY 49 Ca -0.37 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 3ikc n GLY 49 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ikc s PHE 50 N -2.00 1.20 -0.02 1.61 -0.12 -0.24 -1.62 117.98 116.78 3ikc s PHE 50 Ca 0.00 -1.39 0.05 0.00 -0.05 0.00 0.00 56.93 55.54 3ikc s PHE 50 Cb 0.00 -0.58 -0.01 0.00 -0.63 0.00 0.00 43.02 41.80 3ikc s PHE 50 CO 0.00 -0.64 -0.17 -1.50 -0.05 0.00 0.00 175.22 172.85 3ikc s ILE 51 N -4.11 1.39 0.64 -4.49 2.07 -0.00 -2.15 121.20 114.55 3ikc s ILE 51 Ca 0.39 -0.73 -0.07 0.00 -1.41 0.00 0.00 60.65 58.83 3ikc s ILE 51 Cb 0.07 -1.18 0.02 0.00 0.13 0.00 0.00 42.46 41.50 3ikc s ILE 51 CO 0.13 0.40 0.96 -0.13 -1.91 0.00 0.00 174.94 174.39 3ikc s ARG 52 N -0.23 2.73 1.07 3.50 0.52 -0.48 -0.71 118.95 125.35 3ikc s ARG 52 Ca 0.03 0.02 -0.16 0.00 -0.52 0.00 0.00 55.73 55.10 3ikc s ARG 52 Cb -0.09 -2.20 0.23 0.00 0.52 0.00 0.00 34.95 33.41 3ikc s ARG 52 CO 0.00 -0.90 1.13 0.54 0.02 0.00 0.00 175.30 176.10 3ikc s ASN 52 N -4.37 2.05 0.16 0.23 2.20 -1.25 -3.61 114.94 110.35 3ikc s ASN 52 Ca 0.56 0.79 -0.19 0.00 -0.94 0.00 0.00 52.86 53.08 3ikc s ASN 52 Cb -0.11 -1.19 0.08 0.00 -2.00 0.00 0.00 41.25 38.03 3ikc s ASN 52 CO 0.46 -3.44 1.65 0.50 -2.94 0.00 0.00 177.10 173.33 3ikc h LYS 52 N -2.11 -0.10 -0.52 3.55 3.64 -1.52 -2.01 116.57 117.49 3ikc h LYS 52 Ca -0.49 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.05 3ikc h LYS 52 Cb 1.31 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.13 3ikc h LYS 52 CO 0.46 -0.07 0.47 0.00 -2.27 0.00 0.00 179.45 178.04 3ikc h ALA 52 N 1.16 2.33 -0.02 5.00 0.00 -1.93 0.23 119.26 126.03 3ikc h ALA 52 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ikc h ALA 52 Cb 0.37 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3ikc h ALA 52 CO -0.42 -0.74 -0.18 1.63 0.00 0.00 0.00 179.25 179.54 3ikc n LYS 53 N -3.95 1.89 -0.61 0.00 4.76 -0.81 -4.96 118.16 114.48 3ikc n LYS 53 Ca 0.10 -1.56 0.00 0.00 -2.87 0.00 0.00 58.31 53.98 3ikc n LYS 53 Cb 0.68 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 3ikc n LYS 53 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ikc n GLY 54 N 1.37 0.70 3.92 0.72 0.00 0.82 -4.22 105.19 108.49 3ikc n GLY 54 Ca 0.12 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 3ikc n GLY 54 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ikc n TYR 55 N -2.57 -2.16 -2.71 1.61 4.01 -0.87 -4.93 117.16 109.55 3ikc n TYR 55 Ca 0.00 0.85 -0.33 0.00 -0.16 0.00 0.00 57.90 58.26 3ikc n TYR 55 Cb 0.03 -3.71 -0.06 0.00 -0.31 0.00 0.00 39.34 35.29 3ikc n TYR 55 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3ikc s THR 56 N -3.26 4.43 0.05 -0.72 -4.23 -1.26 -4.47 115.64 106.18 3ikc s THR 56 Ca 0.66 1.41 0.03 0.00 -1.18 0.00 0.00 61.69 62.61 3ikc s THR 56 Cb -0.34 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 69.83 3ikc s THR 56 CO 0.81 -0.41 -0.00 0.42 -0.54 0.00 0.00 174.62 174.90 3ikc s THR 57 N -2.29 4.06 0.02 3.99 -4.23 -1.26 -1.38 115.64 114.55 3ikc s THR 57 Ca 0.61 -0.81 0.02 0.00 -1.18 0.00 0.00 61.69 60.33 3ikc s THR 57 Cb -0.09 -2.87 -0.01 0.00 1.34 0.00 0.00 72.50 70.86 3ikc s THR 57 CO 0.18 0.24 -0.06 -1.61 -0.54 0.00 0.00 174.62 172.83 3ikc s GLU 58 N -1.94 0.43 0.12 3.99 0.41 -0.91 -5.01 118.70 115.78 3ikc s GLU 58 Ca 0.23 -0.49 0.04 0.00 -0.41 0.00 0.00 54.97 54.34 3ikc s GLU 58 Cb -0.12 -0.28 -0.04 0.00 -1.78 0.00 0.00 34.13 31.92 3ikc s GLU 58 CO 0.14 0.06 -0.10 0.71 -0.49 0.00 0.00 175.26 175.58 3ikc s TYR 59 N -0.85 1.14 0.52 1.61 2.02 -1.26 -1.08 117.35 119.45 3ikc s TYR 59 Ca -0.06 -0.72 -0.19 0.00 -0.37 0.00 0.00 57.07 55.73 3ikc s TYR 59 Cb -0.06 -0.60 -0.07 0.00 -0.40 0.00 0.00 41.96 40.82 3ikc s TYR 59 CO 0.00 0.02 1.07 -1.54 -1.57 0.00 0.00 175.55 173.53 3ikc s SER 60 N -2.80 6.07 0.24 2.29 1.04 0.13 -4.86 113.70 115.82 3ikc s SER 60 Ca 0.11 1.99 -0.14 0.00 0.48 0.00 0.00 55.95 58.38 3ikc s SER 60 Cb 0.00 -2.56 0.31 0.00 0.10 0.00 0.00 66.02 63.86 3ikc s SER 60 CO -0.00 -0.97 1.56 0.00 0.98 0.00 0.00 173.24 174.80 3ikc h ALA 61 N 1.29 0.32 -0.49 5.32 0.00 -1.94 -1.47 119.26 122.28 3ikc h ALA 61 Ca -0.49 0.31 0.11 0.00 0.00 0.00 0.00 54.91 54.84 3ikc h ALA 61 Cb 1.23 0.90 -0.03 0.00 0.00 0.00 0.00 17.79 19.90 3ikc h ALA 61 CO 0.58 -0.54 0.34 0.66 0.00 0.00 0.00 179.25 180.29 3ikc h SER 62 N -0.01 0.15 -0.07 0.00 4.64 -1.95 -2.94 113.55 113.36 3ikc h SER 62 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3ikc h SER 62 Cb 0.64 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3ikc h SER 62 CO -0.98 0.09 0.00 1.33 -0.87 0.00 0.00 176.83 176.40 3ikc n VAL 63 N -4.44 0.31 -1.67 0.95 0.24 -0.59 -4.98 118.33 108.15 3ikc n VAL 63 Ca 0.08 -0.66 -0.44 0.00 -2.04 0.00 0.00 64.34 61.29 3ikc n VAL 63 Cb 0.45 0.94 -0.02 0.00 -1.47 0.00 0.00 33.84 33.74 3ikc n VAL 63 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3ikc n LYS 64 N 0.31 1.94 -0.89 7.34 5.02 -0.96 -1.14 118.16 129.79 3ikc n LYS 64 Ca 0.05 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 3ikc n LYS 64 Cb 0.23 -2.25 0.00 0.00 -0.02 0.00 0.00 35.03 32.99 3ikc n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ikc n GLY 65 N 1.36 0.63 0.23 0.72 0.00 -1.26 -4.74 105.19 102.12 3ikc n GLY 65 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3ikc n GLY 65 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ikc n ARG 66 N -1.97 0.00 -4.13 1.61 0.63 -0.29 -5.04 116.66 107.47 3ikc n ARG 66 Ca 0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 3ikc n ARG 66 Cb 0.03 -0.76 -0.08 0.00 0.45 0.00 0.00 32.46 32.10 3ikc n ARG 66 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3ikc s PHE 67 N -1.75 2.98 -0.01 -0.14 0.40 -0.57 -2.57 117.98 116.32 3ikc s PHE 67 Ca 0.00 -0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.30 3ikc s PHE 67 Cb 0.00 -1.52 0.01 0.00 0.51 0.00 0.00 43.02 42.02 3ikc s PHE 67 CO 0.00 0.49 -0.00 0.99 0.70 0.00 0.00 175.22 177.39 3ikc s THR 68 N -1.38 0.05 0.00 0.64 2.01 0.16 -4.86 115.64 112.27 3ikc s THR 68 Ca 0.26 0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.34 3ikc s THR 68 Cb -0.11 -0.08 -0.03 0.00 0.01 0.00 0.00 72.50 72.29 3ikc s THR 68 CO 0.19 0.04 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.32 3ikc s ILE 69 N 0.22 2.60 0.20 1.82 1.01 -1.26 0.63 121.20 126.41 3ikc s ILE 69 Ca -0.02 -1.06 -0.14 0.00 0.00 0.00 0.00 60.65 59.43 3ikc s ILE 69 Cb -0.03 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.43 3ikc s ILE 69 CO -0.01 0.47 0.45 -0.94 0.00 0.00 0.00 174.94 174.92 3ikc s SER 70 N -1.01 -0.14 -0.03 3.58 1.04 -1.15 -4.97 113.70 111.02 3ikc s SER 70 Ca 0.12 -0.67 -0.02 0.00 0.48 0.00 0.00 55.95 55.86 3ikc s SER 70 Cb -0.10 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.58 3ikc s SER 70 CO 0.02 -1.03 0.08 0.00 0.98 0.00 0.00 173.24 173.29 3ikc s ARG 71 N -3.92 0.06 -0.63 4.02 1.70 -1.26 -0.74 118.95 118.18 3ikc s ARG 71 Ca 0.14 0.17 -0.20 0.00 -0.47 0.00 0.00 55.73 55.37 3ikc s ARG 71 Cb 0.00 -0.07 0.10 0.00 -0.57 0.00 0.00 34.95 34.41 3ikc s ARG 71 CO 0.00 -0.08 0.80 0.34 -1.08 0.00 0.00 175.30 175.28 3ikc s ASP 72 N 0.51 6.20 0.35 -2.89 -1.08 0.07 -4.93 116.67 114.90 3ikc s ASP 72 Ca -0.04 -1.34 0.27 0.00 -0.52 0.00 0.00 52.55 50.92 3ikc s ASP 72 Cb -0.06 -2.34 0.95 0.00 -1.46 0.00 0.00 42.92 40.02 3ikc s ASP 72 CO -0.02 -1.21 1.78 0.78 0.52 0.00 0.00 175.17 177.03 3ikc h ASN 73 N 9.27 0.00 1.24 -0.34 -0.26 -1.97 -0.47 115.58 123.06 3ikc h ASN 73 Ca -0.27 0.00 -0.16 0.00 -0.56 0.00 0.00 56.30 55.31 3ikc h ASN 73 Cb 1.08 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.32 3ikc h ASN 73 CO 1.12 0.00 -0.74 0.77 -1.06 0.00 0.00 177.43 177.52 3ikc h SER 74 N 0.00 0.00 -0.03 5.81 4.64 -1.96 -3.31 113.55 118.69 3ikc h SER 74 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ikc h SER 74 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3ikc h SER 74 CO 0.00 0.74 0.00 0.00 -0.87 0.00 0.00 176.83 176.70 3ikc n GLN 75 N -3.29 0.57 -3.70 4.77 6.02 -1.12 -5.01 117.38 115.63 3ikc n GLN 75 Ca 0.01 -1.16 -0.21 0.00 -0.01 0.00 0.00 57.00 55.62 3ikc n GLN 75 Cb 0.83 -1.20 0.03 0.00 1.02 0.00 0.00 30.24 30.93 3ikc n GLN 75 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3ikc n SER 76 N 0.56 -1.30 -4.22 1.08 7.64 -0.26 -4.72 113.62 112.40 3ikc n SER 76 Ca 0.06 -0.83 -0.31 0.00 1.01 0.00 0.00 58.87 58.81 3ikc n SER 76 Cb 0.26 -4.05 -0.17 0.00 -1.01 0.00 0.00 64.21 59.25 3ikc n SER 76 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3ikc s ILE 77 N -3.67 1.95 0.11 0.44 1.01 -0.76 -1.63 121.20 118.66 3ikc s ILE 77 Ca 0.02 -0.98 -0.02 0.00 0.00 0.00 0.00 60.65 59.67 3ikc s ILE 77 Cb -0.00 -1.68 -0.05 0.00 0.01 0.00 0.00 42.46 40.74 3ikc s ILE 77 CO 0.81 0.54 0.31 -0.22 0.00 0.00 0.00 174.94 176.38 3ikc s LEU 78 N 0.17 4.30 0.08 2.97 2.96 -0.77 -0.75 118.68 127.64 3ikc s LEU 78 Ca -0.12 0.44 0.05 0.00 -0.22 0.00 0.00 54.13 54.27 3ikc s LEU 78 Cb -0.16 -3.15 -0.03 0.00 0.50 0.00 0.00 46.19 43.35 3ikc s LEU 78 CO 0.06 0.09 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.74 3ikc s TYR 79 N -1.61 1.20 -0.21 5.38 2.02 0.08 -0.36 117.35 123.85 3ikc s TYR 79 Ca 0.38 -0.49 -0.01 0.00 -0.37 0.00 0.00 57.07 56.58 3ikc s TYR 79 Cb -0.12 -0.67 0.06 0.00 -0.40 0.00 0.00 41.96 40.83 3ikc s TYR 79 CO 0.26 0.06 0.00 -1.17 -1.57 0.00 0.00 175.55 173.13 3ikc s LEU 80 N -1.87 1.70 -0.25 -1.29 2.96 0.04 -2.91 118.68 117.08 3ikc s LEU 80 Ca -0.01 -0.96 -0.21 0.00 -0.22 0.00 0.00 54.13 52.73 3ikc s LEU 80 Cb -0.09 -0.81 -0.02 0.00 0.50 0.00 0.00 46.19 45.77 3ikc s LEU 80 CO 0.02 -0.28 0.68 -1.58 -1.32 0.00 0.00 176.35 173.87 3ikc s GLN 81 N 1.68 4.14 -0.16 1.98 2.00 0.20 -1.09 119.66 128.42 3ikc s GLN 81 Ca -0.03 0.65 0.00 0.00 -2.00 0.00 0.00 55.36 53.98 3ikc s GLN 81 Cb -0.18 -3.64 -0.00 0.00 0.80 0.00 0.00 33.01 29.99 3ikc s GLN 81 CO -0.07 -0.42 -0.15 -1.64 -0.50 0.00 0.00 175.29 172.51 3ikc s MET 82 N 2.53 3.23 0.11 1.67 -1.94 0.89 -0.67 119.30 125.11 3ikc s MET 82 Ca 0.28 -0.74 0.10 0.00 -1.71 0.00 0.00 55.69 53.62 3ikc s MET 82 Cb -0.15 -2.64 -0.04 0.00 2.01 0.00 0.00 34.83 34.01 3ikc s MET 82 CO 0.08 0.02 -0.25 -0.80 -0.01 0.00 0.00 175.02 174.06 3ikc s ASN 82 N 0.81 3.08 -1.32 3.03 0.01 -1.06 -0.49 114.94 119.01 3ikc s ASN 82 Ca -0.05 -0.70 -0.02 0.00 -0.71 0.00 0.00 52.86 51.38 3ikc s ASN 82 Cb -0.15 -0.21 0.01 0.00 0.41 0.00 0.00 41.25 41.31 3ikc s ASN 82 CO 0.00 0.17 0.81 0.41 -1.51 0.00 0.00 177.10 176.98 3ikc n THR 82 N 1.14 -4.34 -1.90 1.60 -1.04 -0.75 -4.87 114.28 104.13 3ikc n THR 82 Ca -0.18 -0.41 -0.38 0.00 -2.04 0.00 0.00 64.05 61.04 3ikc n THR 82 Cb 0.53 -3.88 0.03 0.00 -1.82 0.00 0.00 70.33 65.19 3ikc n THR 82 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3ikc s LEU 82 N -6.74 3.86 0.41 -4.42 1.43 -0.14 -4.68 118.68 108.40 3ikc s LEU 82 Ca 0.12 2.63 0.03 0.00 -1.03 0.00 0.00 54.13 55.88 3ikc s LEU 82 Cb -0.06 -4.31 -0.04 0.00 0.03 0.00 0.00 46.19 41.82 3ikc s LEU 82 CO 0.80 -1.45 0.08 -0.13 0.23 0.00 0.00 176.35 175.87 3ikc s ARG 83 N -2.92 1.91 0.44 1.70 3.00 -1.26 -1.24 118.95 120.58 3ikc s ARG 83 Ca 0.71 -2.15 0.14 0.00 0.00 0.00 0.00 55.73 54.43 3ikc s ARG 83 Cb -0.37 -0.90 1.04 0.00 0.00 0.00 0.00 34.95 34.72 3ikc s ARG 83 CO 0.43 -0.36 2.01 0.00 0.00 0.00 0.00 175.30 177.38 3ikc h ALA 84 N 1.79 2.00 0.00 2.13 0.00 -1.97 0.32 119.26 123.53 3ikc h ALA 84 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3ikc h ALA 84 Cb 1.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3ikc h ALA 84 CO 0.65 -0.11 0.00 0.39 0.00 0.00 0.00 179.25 180.18 3ikc n GLU 85 N -4.47 0.11 0.00 0.00 4.71 -1.26 -1.18 120.64 118.55 3ikc n GLU 85 Ca 0.08 0.52 0.13 0.00 -0.01 0.00 0.00 57.16 57.88 3ikc n GLU 85 Cb 0.32 -1.80 0.31 0.00 -1.01 0.00 0.00 31.44 29.26 3ikc n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3ikc n ASP 86 N -2.02 1.85 -4.62 1.62 10.43 0.10 -4.87 116.55 119.04 3ikc n ASP 86 Ca 0.00 -1.50 -0.43 0.00 2.57 0.00 0.00 54.79 55.44 3ikc n ASP 86 Cb 0.09 0.10 -0.03 0.00 1.84 0.00 0.00 41.12 43.12 3ikc n ASP 86 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3ikc s SER 87 N -2.18 5.95 0.09 -2.24 0.01 -0.32 -4.88 113.70 110.13 3ikc s SER 87 Ca 0.30 1.79 -0.27 0.00 1.31 0.00 0.00 55.95 59.08 3ikc s SER 87 Cb 0.20 -2.52 0.08 0.00 0.21 0.00 0.00 66.02 63.99 3ikc s SER 87 CO 0.40 -1.58 1.02 0.00 0.41 0.00 0.00 173.24 173.49 3ikc s ALA 88 N 6.58 -1.79 -0.05 1.44 0.00 -0.27 -4.39 121.76 123.28 3ikc s ALA 88 Ca 0.86 0.38 -0.25 0.00 0.00 0.00 0.00 51.96 52.94 3ikc s ALA 88 Cb -0.30 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 3ikc s ALA 88 CO 0.34 -0.99 0.78 0.99 0.00 0.00 0.00 175.76 176.88 3ikc s THR 89 N -3.08 4.99 -0.25 0.00 2.01 0.29 -0.55 115.64 119.04 3ikc s THR 89 Ca 0.12 1.62 -0.07 0.00 0.31 0.00 0.00 61.69 63.67 3ikc s THR 89 Cb -0.00 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 3ikc s THR 89 CO -0.00 0.23 0.05 -0.31 -0.69 0.00 0.00 174.62 173.90 3ikc s TYR 90 N 0.84 3.07 -0.03 4.92 1.51 -0.21 -0.64 117.35 126.81 3ikc s TYR 90 Ca 0.42 -0.54 -0.02 0.00 -1.01 0.00 0.00 57.07 55.92 3ikc s TYR 90 Cb -0.19 -2.22 -0.04 0.00 -0.11 0.00 0.00 41.96 39.41 3ikc s TYR 90 CO 0.21 -0.40 0.09 0.71 -1.11 0.00 0.00 175.55 175.04 3ikc s TYR 91 N 1.59 3.33 -0.00 2.71 2.02 0.29 -1.73 117.35 125.56 3ikc s TYR 91 Ca 0.06 0.26 0.00 0.00 -0.37 0.00 0.00 57.07 57.02 3ikc s TYR 91 Cb -0.15 -1.78 -0.04 0.00 -0.40 0.00 0.00 41.96 39.59 3ikc s TYR 91 CO 0.02 0.57 0.06 0.00 -1.57 0.00 0.00 175.55 174.64 3ikc s ALA 93 N -1.17 0.04 -0.01 0.00 0.00 -0.65 -1.24 121.76 118.72 3ikc s ALA 93 Ca 0.22 -0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.86 3ikc s ALA 93 Cb -0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 3ikc s ALA 93 CO 0.13 0.01 1.24 0.50 0.00 0.00 0.00 175.76 177.64 3ikc s ARG 94 N -0.00 4.36 0.00 0.00 3.52 -0.55 -1.73 118.95 124.55 3ikc s ARG 94 Ca 0.00 1.76 0.00 0.00 -0.13 0.00 0.00 55.73 57.36 3ikc s ARG 94 Cb -0.00 -3.50 0.00 0.00 -1.56 0.00 0.00 34.95 29.89 3ikc s ARG 94 CO -0.00 -0.42 0.00 -3.47 -0.81 0.00 0.00 175.30 170.60 3ikc n ASP 95 N 4.87 0.00 -4.75 -2.12 4.64 -0.15 -3.43 116.55 115.61 3ikc n ASP 95 Ca 0.11 -0.01 -0.33 0.00 -1.38 0.00 0.00 54.79 53.17 3ikc n ASP 95 Cb 0.46 0.00 0.06 0.00 -1.04 0.00 0.00 41.12 40.60 3ikc n ASP 95 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 3ikc s ILE 96 N 1.96 2.93 -0.48 5.18 -4.36 -1.26 -4.44 121.20 120.73 3ikc s ILE 96 Ca 0.00 0.45 0.03 0.00 -0.26 0.00 0.00 60.65 60.86 3ikc s ILE 96 Cb 0.00 -2.98 0.14 0.00 1.25 0.00 0.00 42.46 40.87 3ikc s ILE 96 CO 0.00 -0.26 0.28 -0.94 0.24 0.00 0.00 174.94 174.26 3ikc s SER 97 N -2.37 3.75 0.00 4.36 1.04 -1.26 -0.70 113.70 118.53 3ikc s SER 97 Ca 0.70 -2.86 0.26 0.00 0.48 0.00 0.00 55.95 54.52 3ikc s SER 97 Cb -0.23 -1.17 0.77 0.00 0.10 0.00 0.00 66.02 65.48 3ikc s SER 97 CO 0.42 -0.23 1.59 -0.81 0.98 0.00 0.00 173.24 175.19 3ikc n PRO 98 N 3.24 0.22 -0.02 4.02 -0.05 -1.26 -4.14 135.00 137.01 3ikc n PRO 98 Ca 0.11 -0.11 0.04 0.00 -0.05 0.00 0.00 63.50 63.49 3ikc n PRO 98 Cb 0.35 -1.50 -0.12 0.00 -0.05 0.00 0.00 33.50 32.18 3ikc n PRO 98 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 175.50 175.88 3ikc n SER 99 N -1.30 1.30 -3.71 3.54 7.64 -1.26 -4.98 113.62 114.86 3ikc n SER 99 Ca 0.08 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.84 3ikc n SER 99 Cb 0.33 1.51 -0.10 0.00 -1.01 0.00 0.00 64.21 64.94 3ikc n SER 99 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3ikc s TYR 100 N -2.92 -0.54 0.00 1.43 5.04 -1.26 -5.12 117.35 113.97 3ikc s TYR 100 Ca -0.06 1.23 0.00 0.00 -2.44 0.00 0.00 57.07 55.79 3ikc s TYR 100 Cb 0.09 0.22 0.00 0.00 0.35 0.00 0.00 41.96 42.62 3ikc s TYR 100 CO 0.66 -0.29 0.00 0.41 -1.34 0.00 0.00 175.55 174.99 3ikc n GLY 100 N 3.57 -0.46 3.21 8.97 0.00 -1.26 -4.90 105.19 114.32 3ikc n GLY 100 Ca -0.18 -1.13 -0.26 0.00 0.00 0.00 0.00 46.02 44.45 3ikc n GLY 100 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ikc n VAL 100 N 0.00 0.00 0.00 1.61 0.31 -1.26 -4.98 118.33 114.01 3ikc n VAL 100 Ca 0.00 -0.63 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 3ikc n VAL 100 Cb 0.00 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 3ikc n VAL 100 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3ikc n TYR 100 N -4.10 0.00 -2.36 3.52 4.11 -1.26 -4.55 117.16 112.52 3ikc n TYR 100 Ca 0.14 0.00 -0.36 0.00 -0.00 0.00 0.00 57.90 57.68 3ikc n TYR 100 Cb 0.51 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.81 3ikc n TYR 100 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 3ikc s GLU 100 N -3.05 3.19 -0.22 -3.48 0.41 -1.26 -4.74 118.70 109.55 3ikc s GLU 100 Ca 0.00 -0.78 -0.35 0.00 -0.41 0.00 0.00 54.97 53.42 3ikc s GLU 100 Cb 0.00 -5.23 0.15 0.00 -1.78 0.00 0.00 34.13 27.27 3ikc s GLU 100 CO 0.00 -2.66 1.25 0.20 -0.49 0.00 0.00 175.26 173.57 3ikc s GLY 100 N 6.15 -0.25 -0.60 -1.39 0.00 -1.26 -5.09 107.32 104.87 3ikc s GLY 100 Ca 0.55 1.76 -0.20 0.00 0.00 0.00 0.00 44.72 46.83 3ikc s GLY 100 CO -0.06 0.60 0.79 -1.36 0.00 0.00 0.00 173.10 173.08 3ikc s PHE 100 N -2.21 2.89 0.23 1.90 2.99 -1.26 -4.41 117.98 118.10 3ikc s PHE 100 Ca 0.10 -0.72 0.03 0.00 0.00 0.00 0.00 56.93 56.34 3ikc s PHE 100 Cb -0.01 -4.05 0.24 0.00 0.00 0.00 0.00 43.02 39.20 3ikc s PHE 100 CO -0.04 -1.38 1.56 0.00 -0.00 0.00 0.00 175.22 175.35 3ikc h ALA 101 N 9.29 0.83 -3.72 5.36 0.00 -1.89 -3.45 119.26 125.68 3ikc h ALA 101 Ca -0.29 -0.53 -0.31 0.00 0.00 0.00 0.00 54.91 53.78 3ikc h ALA 101 Cb 1.08 -0.08 -0.27 0.00 0.00 0.00 0.00 17.79 18.52 3ikc h ALA 101 CO 1.11 0.72 -0.75 0.71 0.00 0.00 0.00 179.25 181.04 3ikc s TYR 102 N -3.81 0.51 0.10 0.00 2.02 -1.26 -5.04 117.35 109.88 3ikc s TYR 102 Ca -0.05 -0.19 0.07 0.00 -0.37 0.00 0.00 57.07 56.53 3ikc s TYR 102 Cb 0.12 -0.32 -0.03 0.00 -0.40 0.00 0.00 41.96 41.32 3ikc s TYR 102 CO 0.80 -0.03 -0.16 -1.58 -1.57 0.00 0.00 175.55 173.01 3ikc s TRP 103 N -0.43 1.49 1.02 2.71 0.52 -1.26 -1.49 118.94 121.50 3ikc s TRP 103 Ca -0.01 -0.48 -0.15 0.00 0.02 0.00 0.00 56.10 55.48 3ikc s TRP 103 Cb -0.04 -0.80 0.20 0.00 -1.15 0.00 0.00 33.47 31.68 3ikc s TRP 103 CO -0.00 0.15 1.17 0.20 0.02 0.00 0.00 176.95 178.49 3ikc s GLY 104 N -2.09 1.63 0.00 0.98 0.00 -0.38 -4.69 107.32 102.77 3ikc s GLY 104 Ca 0.05 -0.81 0.30 0.00 0.00 0.00 0.00 44.72 44.26 3ikc s GLY 104 CO 0.03 -0.09 1.98 0.61 0.00 0.00 0.00 173.10 175.63 3ikc n GLN 105 N -4.11 0.31 -0.14 2.90 0.00 -1.25 -4.82 117.38 110.26 3ikc n GLN 105 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 57.00 57.08 3ikc n GLN 105 Cb 0.59 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.33 3ikc n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ikc n GLY 106 N 1.36 -2.97 3.04 2.61 0.00 -1.26 -5.01 105.19 102.95 3ikc n GLY 106 Ca 0.12 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 3ikc n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ikc s THR 107 N -3.60 1.48 -0.12 2.61 -1.32 -0.70 -4.89 115.64 109.09 3ikc s THR 107 Ca 0.00 -0.61 -0.29 0.00 -1.21 0.00 0.00 61.69 59.57 3ikc s THR 107 Cb 0.00 -1.37 -0.02 0.00 -1.51 0.00 0.00 72.50 69.60 3ikc s THR 107 CO 0.00 0.44 1.22 -0.22 -2.21 0.00 0.00 174.62 173.85 3ikc s LEU 108 N 1.16 4.22 -0.17 9.08 2.96 -1.26 -1.04 118.68 133.63 3ikc s LEU 108 Ca -0.03 1.72 -0.05 0.00 -0.22 0.00 0.00 54.13 55.55 3ikc s LEU 108 Cb -0.14 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 3ikc s LEU 108 CO -0.04 -0.67 0.00 -0.69 -1.32 0.00 0.00 176.35 173.62 3ikc s VAL 109 N 2.91 4.21 -0.09 1.68 1.01 0.28 -1.24 120.40 129.17 3ikc s VAL 109 Ca 0.54 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.30 3ikc s VAL 109 Cb -0.22 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.30 3ikc s VAL 109 CO 0.17 0.48 -0.11 0.28 0.00 0.00 0.00 175.10 175.91 3ikc s THR 110 N 0.43 1.17 -0.49 3.92 -1.32 -0.43 -1.11 115.64 117.81 3ikc s THR 110 Ca -0.01 -0.45 -0.14 0.00 -1.21 0.00 0.00 61.69 59.87 3ikc s THR 110 Cb -0.14 -1.10 0.10 0.00 -1.51 0.00 0.00 72.50 69.85 3ikc s THR 110 CO 0.02 0.38 0.41 -0.69 -2.21 0.00 0.00 174.62 172.53 3ikc s VAL 111 N 1.05 4.99 -0.09 5.08 1.01 -1.26 -1.65 120.40 129.52 3ikc s VAL 111 Ca -0.07 -1.34 -0.18 0.00 0.00 0.00 0.00 61.98 60.39 3ikc s VAL 111 Cb -0.15 -4.10 0.04 0.00 0.00 0.00 0.00 36.38 32.18 3ikc s VAL 111 CO -0.01 -0.70 0.45 -0.55 0.00 0.00 0.00 175.10 174.29 3ikc s SER 112 N 2.91 -0.41 0.00 3.32 0.15 -0.67 -4.33 113.70 114.67 3ikc s SER 112 Ca 0.04 0.59 0.26 0.00 0.70 0.00 0.00 55.95 57.54 3ikc s SER 112 Cb -0.26 0.65 1.39 0.00 -1.71 0.00 0.00 66.02 66.09 3ikc s SER 112 CO 0.04 -0.34 1.89 0.00 1.20 0.00 0.00 173.24 176.02 3ikc n ALA 113 N 1.93 2.36 -1.00 5.45 0.00 -1.26 -4.27 120.51 123.72 3ikc n ALA 113 Ca -0.17 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3ikc n ALA 113 Cb 0.57 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3ikc n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ikc n ALA 114 N -1.18 0.00 -3.50 0.00 0.00 -1.26 -5.05 120.51 109.52 3ikc n ALA 114 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.26 3ikc n ALA 114 Cb 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.46 3ikc n ALA 114 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ikc s THR 115 N -0.56 2.74 -0.31 0.00 2.01 -1.26 -5.06 115.64 113.19 3ikc s THR 115 Ca 0.00 -0.74 -0.27 0.00 0.31 0.00 0.00 61.69 60.99 3ikc s THR 115 Cb 0.00 -2.17 -0.06 0.00 0.01 0.00 0.00 72.50 70.28 3ikc s THR 115 CO 0.00 0.50 2.30 0.41 -0.69 0.00 0.00 174.62 177.14 3ikc n THR 116 N 4.18 0.19 -3.83 -0.82 -1.04 -1.26 -4.61 114.28 107.09 3ikc n THR 116 Ca -0.19 -0.59 -0.27 0.00 -2.04 0.00 0.00 64.05 60.96 3ikc n THR 116 Cb 0.51 -2.66 -0.17 0.00 -1.82 0.00 0.00 70.33 66.20 3ikc n THR 116 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3ikc s THR 117 N 9.73 0.83 0.66 12.58 -1.32 0.12 -4.96 115.64 133.28 3ikc s THR 117 Ca 1.00 -0.49 -0.17 0.00 -1.21 0.00 0.00 61.69 60.82 3ikc s THR 117 Cb -0.28 -1.10 -0.01 0.00 -1.51 0.00 0.00 72.50 69.60 3ikc s THR 117 CO 0.32 0.06 1.11 0.00 -2.21 0.00 0.00 174.62 173.89 3ikc n ALA 118 N 4.96 0.46 -1.91 11.08 0.00 -1.26 -1.09 120.51 132.76 3ikc n ALA 118 Ca -0.10 -0.06 -0.31 0.00 0.00 0.00 0.00 53.44 52.97 3ikc n ALA 118 Cb 0.48 -2.20 -0.01 0.00 0.00 0.00 0.00 19.45 17.72 3ikc n ALA 118 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ikc s PRO 119 N -3.21 3.73 -0.08 0.00 0.04 -1.26 -4.61 135.00 129.60 3ikc s PRO 119 Ca 0.78 0.77 -0.06 0.00 0.04 0.00 0.00 61.00 62.53 3ikc s PRO 119 Cb -0.38 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 3ikc s PRO 119 CO 0.45 -0.41 0.16 -1.12 0.04 0.00 0.00 177.00 176.12 3ikc s SER 120 N -3.72 6.40 -0.29 6.66 0.01 -0.61 -4.96 113.70 117.19 3ikc s SER 120 Ca 0.56 0.45 0.02 0.00 1.31 0.00 0.00 55.95 58.29 3ikc s SER 120 Cb -0.11 -2.06 0.07 0.00 0.21 0.00 0.00 66.02 64.14 3ikc s SER 120 CO 0.44 0.36 -0.05 -0.69 0.41 0.00 0.00 173.24 173.72 3ikc s VAL 121 N -1.12 2.35 -0.03 3.43 1.01 -1.26 -1.73 120.40 123.05 3ikc s VAL 121 Ca 0.19 -1.77 -0.03 0.00 0.00 0.00 0.00 61.98 60.36 3ikc s VAL 121 Cb -0.12 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 3ikc s VAL 121 CO 0.08 -0.19 0.15 -0.31 0.00 0.00 0.00 175.10 174.84 3ikc s TYR 122 N 1.08 3.50 0.42 5.22 2.02 0.34 -4.94 117.35 124.99 3ikc s TYR 122 Ca -0.03 0.35 -0.23 0.00 -0.37 0.00 0.00 57.07 56.80 3ikc s TYR 122 Cb -0.20 -1.83 -0.09 0.00 -0.40 0.00 0.00 41.96 39.44 3ikc s TYR 122 CO -0.05 0.64 1.01 -1.25 -1.57 0.00 0.00 175.55 174.33 3ikc s PRO 123 N -1.72 4.13 -0.33 -1.71 0.04 -1.26 0.10 135.00 134.25 3ikc s PRO 123 Ca 0.24 1.36 -0.01 0.00 0.04 0.00 0.00 61.00 62.63 3ikc s PRO 123 Cb -0.12 -2.36 0.07 0.00 0.04 0.00 0.00 34.50 32.13 3ikc s PRO 123 CO 0.15 -0.15 0.05 -0.51 0.04 0.00 0.00 177.00 176.58 3ikc s LEU 124 N -2.93 4.33 0.04 -3.56 1.43 0.19 -4.75 118.68 113.43 3ikc s LEU 124 Ca 0.60 -1.63 0.03 0.00 -1.03 0.00 0.00 54.13 52.11 3ikc s LEU 124 Cb -0.17 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 3ikc s LEU 124 CO 0.22 -0.34 -0.11 0.68 0.23 0.00 0.00 176.35 177.03 3ikc s VAL 125 N 1.15 0.80 0.76 -1.59 -7.23 -1.26 -2.34 120.40 110.69 3ikc s VAL 125 Ca 0.00 -0.92 -0.15 0.00 -1.81 0.00 0.00 61.98 59.11 3ikc s VAL 125 Cb -0.20 -0.77 0.05 0.00 0.56 0.00 0.00 36.38 36.02 3ikc s VAL 125 CO -0.03 -0.12 1.20 -2.65 -0.31 0.00 0.00 175.10 173.18 3ikc n PRO 126 N 1.89 0.46 0.26 4.82 -0.02 -1.26 -5.03 135.00 136.11 3ikc n PRO 126 Ca -0.19 0.22 0.09 0.00 -2.02 0.00 0.00 63.50 61.60 3ikc n PRO 126 Cb 0.55 -2.44 0.66 0.00 -0.02 0.00 0.00 33.50 32.26 3ikc n PRO 126 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3ikc h GLY 127 N -0.47 0.00 0.00 -1.23 0.00 -2.01 -3.45 103.07 95.92 3ikc h GLY 127 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3ikc h GLY 127 CO 0.48 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.63 3ikc n GLY 133 N -1.37 0.61 0.12 4.60 0.00 -1.26 -5.06 105.19 102.83 3ikc n GLY 133 Ca -0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.04 3ikc n GLY 133 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ikc h SER 134 N 0.00 0.00 -3.35 1.61 4.64 -2.00 -3.44 113.55 111.02 3ikc h SER 134 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 3ikc h SER 134 Cb 0.00 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 61.91 3ikc h SER 134 CO 0.00 0.33 -0.81 -0.94 -0.87 0.00 0.00 176.83 174.54 3ikc s SER 135 N -5.75 3.13 -0.01 4.97 1.04 -1.26 0.59 113.70 116.40 3ikc s SER 135 Ca -0.00 -0.86 0.03 0.00 0.48 0.00 0.00 55.95 55.60 3ikc s SER 135 Cb 0.09 -0.21 -0.01 0.00 0.10 0.00 0.00 66.02 65.98 3ikc s SER 135 CO 0.79 0.06 -0.10 0.54 0.98 0.00 0.00 173.24 175.51 3ikc s VAL 136 N -1.79 0.81 -0.18 5.02 0.11 0.10 -4.72 120.40 119.76 3ikc s VAL 136 Ca 0.18 -0.43 -0.05 0.00 -2.93 0.00 0.00 61.98 58.76 3ikc s VAL 136 Cb -0.07 -0.69 -0.03 0.00 -1.53 0.00 0.00 36.38 34.06 3ikc s VAL 136 CO 0.08 0.23 -0.00 -0.89 -3.33 0.00 0.00 175.10 171.19 3ikc s THR 137 N -0.16 4.05 0.48 5.04 2.01 -1.26 -1.32 115.64 124.48 3ikc s THR 137 Ca 0.03 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.76 3ikc s THR 137 Cb -0.05 -2.81 -0.02 0.00 0.01 0.00 0.00 72.50 69.63 3ikc s THR 137 CO -0.00 0.46 0.03 -0.76 -0.69 0.00 0.00 174.62 173.65 3ikc s LEU 138 N 0.68 2.25 0.00 4.42 1.43 -0.61 -4.65 118.68 122.19 3ikc s LEU 138 Ca -0.00 -1.65 0.00 0.00 -1.03 0.00 0.00 54.13 51.45 3ikc s LEU 138 Cb -0.14 -0.60 0.00 0.00 0.03 0.00 0.00 46.19 45.48 3ikc s LEU 138 CO 0.02 -0.85 0.00 0.61 0.23 0.00 0.00 176.35 176.36 3ikc n GLY 139 N -1.17 -0.24 3.19 -3.19 0.00 -0.99 -1.19 105.19 101.61 3ikc n GLY 139 Ca -0.16 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 3ikc n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ikc s LEU 141 N 0.85 4.10 -0.28 0.00 2.96 0.12 -1.91 118.68 124.52 3ikc s LEU 141 Ca -0.06 1.05 -0.05 0.00 -0.22 0.00 0.00 54.13 54.86 3ikc s LEU 141 Cb -0.15 -3.18 0.02 0.00 0.50 0.00 0.00 46.19 43.37 3ikc s LEU 141 CO -0.02 -0.49 0.02 -0.69 -1.32 0.00 0.00 176.35 173.85 3ikc s VAL 142 N 2.68 3.50 0.24 1.68 1.01 0.12 -0.50 120.40 129.14 3ikc s VAL 142 Ca 0.35 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.55 3ikc s VAL 142 Cb -0.16 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 3ikc s VAL 142 CO 0.08 0.12 -0.08 -0.54 0.00 0.00 0.00 175.10 174.68 3ikc s LYS 143 N 1.42 1.42 -1.28 2.72 1.02 -0.70 -0.47 119.74 123.86 3ikc s LYS 143 Ca 0.01 -1.69 -0.07 0.00 0.02 0.00 0.00 55.97 54.25 3ikc s LYS 143 Cb -0.17 -1.04 0.01 0.00 -0.52 0.00 0.00 37.83 36.11 3ikc s LYS 143 CO -0.00 0.07 1.12 0.41 -0.92 0.00 0.00 175.35 176.02 3ikc n GLY 144 N -0.47 -0.47 3.54 -3.33 0.00 -0.44 -1.57 105.19 102.45 3ikc n GLY 144 Ca -0.06 0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3ikc n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ikc s TYR 145 N -3.32 2.67 -0.26 1.61 1.13 -1.01 -4.46 117.35 113.71 3ikc s TYR 145 Ca 0.47 -0.19 -0.22 0.00 -1.41 0.00 0.00 57.07 55.72 3ikc s TYR 145 Cb -0.21 -1.42 0.07 0.00 -1.10 0.00 0.00 41.96 39.30 3ikc s TYR 145 CO 0.70 0.39 0.68 0.12 -2.51 0.00 0.00 175.55 174.93 3ikc s PHE 146 N -1.15 -0.82 0.00 -3.49 5.36 -0.25 -1.74 117.98 115.90 3ikc s PHE 146 Ca 0.19 1.89 0.00 0.00 -0.96 0.00 0.00 56.93 58.05 3ikc s PHE 146 Cb -0.11 0.34 0.00 0.00 -0.34 0.00 0.00 43.02 42.92 3ikc s PHE 146 CO 0.11 -0.40 0.00 -0.35 -1.46 0.00 0.00 175.22 173.12 3ikc n PRO 147 N 3.12 1.16 -1.20 10.12 -0.04 -1.26 0.12 135.00 147.01 3ikc n PRO 147 Ca -0.16 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.00 3ikc n PRO 147 Cb 0.56 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.15 3ikc n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3ikc s GLU 148 N -0.79 1.50 0.32 0.54 2.02 -1.26 -4.81 118.70 116.22 3ikc s GLU 148 Ca 0.00 0.93 0.03 0.00 0.02 0.00 0.00 54.97 55.95 3ikc s GLU 148 Cb 0.00 -1.83 0.03 0.00 0.10 0.00 0.00 34.13 32.44 3ikc s GLU 148 CO 0.00 -2.11 0.29 -0.35 0.02 0.00 0.00 175.26 173.11 3ikc n PRO 149 N -3.81 0.96 -4.27 0.39 -0.04 -1.26 -4.78 135.00 122.19 3ikc n PRO 149 Ca 0.08 -1.97 -0.21 0.00 -0.04 0.00 0.00 63.50 61.36 3ikc n PRO 149 Cb 0.55 0.14 -0.12 0.00 -0.04 0.00 0.00 33.50 34.02 3ikc n PRO 149 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3ikc s VAL 150 N -1.48 1.37 0.07 0.52 -7.23 -1.26 -4.17 120.40 108.22 3ikc s VAL 150 Ca 0.22 -1.34 0.09 0.00 -1.81 0.00 0.00 61.98 59.14 3ikc s VAL 150 Cb -0.02 -1.26 -0.03 0.00 0.56 0.00 0.00 36.38 35.63 3ikc s VAL 150 CO 0.14 -0.10 -0.23 0.42 -0.31 0.00 0.00 175.10 175.01 3ikc s THR 151 N -1.14 2.42 -0.06 5.32 -4.23 -0.15 -4.95 115.64 112.86 3ikc s THR 151 Ca 0.02 -1.44 0.05 0.00 -1.18 0.00 0.00 61.69 59.14 3ikc s THR 151 Cb -0.10 -2.02 -0.01 0.00 1.34 0.00 0.00 72.50 71.72 3ikc s THR 151 CO 0.03 0.26 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.44 3ikc s VAL 152 N -0.94 1.95 0.29 2.29 1.01 -1.26 -0.26 120.40 123.48 3ikc s VAL 152 Ca 0.14 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.20 3ikc s VAL 152 Cb -0.10 -1.66 -0.06 0.00 0.00 0.00 0.00 36.38 34.56 3ikc s VAL 152 CO 0.05 0.54 -0.08 -0.54 0.00 0.00 0.00 175.10 175.07 3ikc s LYS 153 N -0.01 1.62 -0.04 2.72 1.02 -0.60 -4.93 119.74 119.52 3ikc s LYS 153 Ca -0.07 -1.82 0.05 0.00 0.02 0.00 0.00 55.97 54.15 3ikc s LYS 153 Cb -0.14 -1.32 -0.01 0.00 -0.52 0.00 0.00 37.83 35.84 3ikc s LYS 153 CO 0.05 0.08 -0.17 -1.58 -0.92 0.00 0.00 175.35 172.80 3ikc s TRP 154 N -2.89 1.68 -1.50 3.18 0.52 -1.26 -0.23 118.94 118.45 3ikc s TRP 154 Ca 0.30 -0.44 -0.03 0.00 0.02 0.00 0.00 56.10 55.95 3ikc s TRP 154 Cb 0.03 -1.12 0.03 0.00 -1.15 0.00 0.00 33.47 31.25 3ikc s TRP 154 CO 0.13 -0.13 0.36 0.09 0.02 0.00 0.00 176.95 177.41 3ikc n ASN 155 N 3.03 -0.39 -2.70 2.95 4.13 0.11 -0.67 115.26 121.71 3ikc n ASN 155 Ca -0.17 -1.09 -0.16 0.00 1.68 0.00 0.00 54.58 54.84 3ikc n ASN 155 Cb 0.53 -2.58 -0.00 0.00 -1.54 0.00 0.00 39.78 36.19 3ikc n ASN 155 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3ikc n TYR 156 N -4.44 -1.54 -0.36 3.10 4.02 -1.26 -0.88 117.16 115.80 3ikc n TYR 156 Ca -0.26 0.15 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 3ikc n TYR 156 Cb 0.66 -2.95 0.00 0.00 -0.02 0.00 0.00 39.34 37.03 3ikc n TYR 156 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ikc n GLY 157 N -0.95 0.73 0.07 2.72 0.00 0.15 -4.93 105.19 102.99 3ikc n GLY 157 Ca -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 3ikc n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ikc h ALA 158 N 0.00 0.49 -2.35 4.61 0.00 -0.76 -3.40 119.26 117.84 3ikc h ALA 158 Ca 0.00 -1.08 -0.76 0.00 0.00 0.00 0.00 54.91 53.07 3ikc h ALA 158 Cb 0.00 0.04 -0.24 0.00 0.00 0.00 0.00 17.79 17.59 3ikc h ALA 158 CO 0.00 1.34 -0.00 -1.17 0.00 0.00 0.00 179.25 179.42 3ikc s LEU 159 N -6.51 6.27 -0.01 0.00 0.20 -0.90 -4.84 118.68 112.89 3ikc s LEU 159 Ca -0.01 -2.12 0.10 0.00 0.69 0.00 0.00 54.13 52.79 3ikc s LEU 159 Cb 0.09 -2.23 -0.14 0.00 -0.43 0.00 0.00 46.19 43.48 3ikc s LEU 159 CO 0.82 -0.79 0.26 -1.54 -0.29 0.00 0.00 176.35 174.81 3ikc n SER 160 N 4.94 2.26 -4.77 3.68 3.41 -1.26 -4.18 113.62 117.69 3ikc n SER 160 Ca -0.01 -0.15 -0.39 0.00 -0.26 0.00 0.00 58.87 58.06 3ikc n SER 160 Cb 0.43 1.35 -0.06 0.00 -0.26 0.00 0.00 64.21 65.68 3ikc n SER 160 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3ikc s SER 161 N -2.87 7.14 -0.45 4.04 0.01 -1.26 -3.86 113.70 116.45 3ikc s SER 161 Ca -0.02 1.36 0.00 0.00 1.31 0.00 0.00 55.95 58.60 3ikc s SER 161 Cb 0.07 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.87 3ikc s SER 161 CO 0.41 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.78 3ikc n GLY 162 N 2.18 0.60 3.73 3.44 0.00 -1.26 -4.57 105.19 109.30 3ikc n GLY 162 Ca -0.06 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.76 3ikc n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ikc s VAL 163 N -2.18 5.12 -0.09 1.61 1.01 -1.25 -2.27 120.40 122.34 3ikc s VAL 163 Ca 0.00 1.09 0.02 0.00 0.00 0.00 0.00 61.98 63.09 3ikc s VAL 163 Cb 0.00 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.52 3ikc s VAL 163 CO 0.00 0.33 -0.14 -0.13 0.00 0.00 0.00 175.10 175.16 3ikc s ARG 164 N 0.48 1.99 -0.25 2.72 1.81 0.79 -4.99 118.95 121.51 3ikc s ARG 164 Ca 0.29 -0.49 0.01 0.00 -1.72 0.00 0.00 55.73 53.81 3ikc s ARG 164 Cb -0.16 -1.67 0.07 0.00 -0.45 0.00 0.00 34.95 32.73 3ikc s ARG 164 CO 0.13 -0.02 -0.03 0.99 -0.68 0.00 0.00 175.30 175.70 3ikc s THR 165 N 0.84 1.46 0.62 0.02 2.01 -1.26 -0.07 115.64 119.26 3ikc s THR 165 Ca -0.11 -1.28 -0.16 0.00 0.31 0.00 0.00 61.69 60.45 3ikc s THR 165 Cb -0.15 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.53 3ikc s THR 165 CO 0.01 -0.20 1.11 0.68 -0.69 0.00 0.00 174.62 175.54 3ikc s VAL 166 N 1.41 3.23 0.89 3.82 -7.23 -1.09 -5.00 120.40 116.42 3ikc s VAL 166 Ca -0.03 0.63 -0.12 0.00 -1.81 0.00 0.00 61.98 60.65 3ikc s VAL 166 Cb -0.19 -3.16 0.08 0.00 0.56 0.00 0.00 36.38 33.67 3ikc s VAL 166 CO -0.08 -0.30 0.82 -1.54 -0.31 0.00 0.00 175.10 173.69 3ikc n SER 167 N -2.09 -0.57 -4.76 4.85 3.41 -1.26 -4.57 113.62 108.63 3ikc n SER 167 Ca 0.11 0.44 -0.31 0.00 -0.26 0.00 0.00 58.87 58.85 3ikc n SER 167 Cb 0.52 -1.36 0.10 0.00 -0.26 0.00 0.00 64.21 63.21 3ikc n SER 167 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3ikc s SER 168 N -2.19 4.30 0.00 4.04 1.04 -1.26 -4.76 113.70 114.87 3ikc s SER 168 Ca 0.64 1.76 0.03 0.00 0.48 0.00 0.00 55.95 58.86 3ikc s SER 168 Cb -0.25 -2.46 -0.01 0.00 0.10 0.00 0.00 66.02 63.41 3ikc s SER 168 CO 0.60 -2.16 -0.08 0.68 0.98 0.00 0.00 173.24 173.26 3ikc s VAL 169 N -2.91 0.64 -0.21 5.02 -7.23 -0.60 -4.97 120.40 110.14 3ikc s VAL 169 Ca 0.62 -0.46 -0.06 0.00 -1.81 0.00 0.00 61.98 60.26 3ikc s VAL 169 Cb -0.17 -0.56 -0.03 0.00 0.56 0.00 0.00 36.38 36.18 3ikc s VAL 169 CO 0.56 0.10 0.03 -0.22 -0.31 0.00 0.00 175.10 175.26 3ikc s LEU 170 N -0.41 3.39 -0.12 1.32 2.96 -1.26 -2.05 118.68 122.50 3ikc s LEU 170 Ca 0.01 -0.16 -0.06 0.00 -0.22 0.00 0.00 54.13 53.70 3ikc s LEU 170 Cb -0.04 -1.87 0.05 0.00 0.50 0.00 0.00 46.19 44.83 3ikc s LEU 170 CO -0.00 0.05 0.28 -1.58 -1.32 0.00 0.00 176.35 173.78 3ikc s GLN 171 N 1.10 0.25 -1.46 1.98 0.74 -0.23 -4.90 119.66 117.14 3ikc s GLN 171 Ca 0.03 0.60 -0.11 0.00 0.05 0.00 0.00 55.36 55.93 3ikc s GLN 171 Cb -0.14 -0.09 0.07 0.00 1.10 0.00 0.00 33.01 33.94 3ikc s GLN 171 CO 0.02 -0.17 0.76 0.43 -0.55 0.00 0.00 175.29 175.79 3ikc n SER 172 N 4.29 -4.75 0.00 6.67 7.64 -1.26 -1.44 113.62 124.77 3ikc n SER 172 Ca -0.24 -0.56 0.00 0.00 1.01 0.00 0.00 58.87 59.08 3ikc n SER 172 Cb 0.53 -3.83 0.00 0.00 -1.01 0.00 0.00 64.21 59.90 3ikc n SER 172 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ikc n GLY 173 N -1.50 0.86 3.32 0.23 0.00 -1.26 -5.02 105.19 101.83 3ikc n GLY 173 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 3ikc n GLY 173 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ikc s PHE 174 N -3.44 1.92 0.10 1.61 0.08 -0.52 -4.88 117.98 112.84 3ikc s PHE 174 Ca 0.00 -0.42 0.02 0.00 0.12 0.00 0.00 56.93 56.65 3ikc s PHE 174 Cb 0.00 -1.02 -0.04 0.00 -0.57 0.00 0.00 43.02 41.39 3ikc s PHE 174 CO 0.00 0.28 0.18 0.71 -0.10 0.00 0.00 175.22 176.29 3ikc s TYR 175 N -1.38 3.36 -0.03 0.36 2.02 -0.71 -1.06 117.35 119.90 3ikc s TYR 175 Ca 0.11 0.13 -0.11 0.00 -0.37 0.00 0.00 57.07 56.83 3ikc s TYR 175 Cb -0.09 -1.66 0.02 0.00 -0.40 0.00 0.00 41.96 39.83 3ikc s TYR 175 CO 0.05 0.54 0.24 -1.54 -1.57 0.00 0.00 175.55 173.28 3ikc s SER 176 N -2.75 -0.15 0.08 2.29 1.04 -0.87 -1.33 113.70 112.02 3ikc s SER 176 Ca 0.33 0.13 -0.10 0.00 0.48 0.00 0.00 55.95 56.78 3ikc s SER 176 Cb -0.12 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.35 3ikc s SER 176 CO 0.26 -0.31 0.23 -1.48 0.98 0.00 0.00 173.24 172.91 3ikc s LEU 177 N -0.89 1.24 0.05 2.42 0.05 0.38 -1.56 118.68 120.37 3ikc s LEU 177 Ca -0.10 -0.51 0.07 0.00 0.05 0.00 0.00 54.13 53.64 3ikc s LEU 177 Cb -0.05 1.14 -0.02 0.00 -2.05 0.00 0.00 46.19 45.21 3ikc s LEU 177 CO 0.02 -0.70 -0.19 -0.94 -0.55 0.00 0.00 176.35 174.00 3ikc s SER 178 N -2.62 2.23 -0.05 1.48 1.04 -1.26 0.16 113.70 114.67 3ikc s SER 178 Ca 0.02 -0.51 0.04 0.00 0.48 0.00 0.00 55.95 55.97 3ikc s SER 178 Cb 0.03 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.98 3ikc s SER 178 CO -0.09 0.12 -0.16 -0.55 0.98 0.00 0.00 173.24 173.54 3ikc s SER 179 N -1.21 2.10 0.12 7.02 0.15 -0.80 -2.69 113.70 118.39 3ikc s SER 179 Ca 0.06 -0.35 0.07 0.00 0.70 0.00 0.00 55.95 56.43 3ikc s SER 179 Cb -0.09 -0.72 -0.04 0.00 -1.71 0.00 0.00 66.02 63.46 3ikc s SER 179 CO 0.02 0.12 -0.18 -0.76 1.20 0.00 0.00 173.24 173.64 3ikc s LEU 180 N 0.24 2.37 -0.02 3.45 1.02 0.90 -0.97 118.68 125.67 3ikc s LEU 180 Ca -0.08 -0.76 0.01 0.00 0.02 0.00 0.00 54.13 53.31 3ikc s LEU 180 Cb -0.13 -0.75 0.02 0.00 0.02 0.00 0.00 46.19 45.34 3ikc s LEU 180 CO 0.03 -0.03 -0.02 0.54 0.02 0.00 0.00 176.35 176.89 3ikc s VAL 181 N -1.68 0.31 -0.23 -1.59 0.11 -0.33 -0.15 120.40 116.85 3ikc s VAL 181 Ca 0.09 -0.05 -0.10 0.00 -2.93 0.00 0.00 61.98 58.99 3ikc s VAL 181 Cb -0.07 -0.34 -0.05 0.00 -1.53 0.00 0.00 36.38 34.38 3ikc s VAL 181 CO 0.05 0.15 0.15 -0.89 -3.33 0.00 0.00 175.10 171.22 3ikc s THR 182 N 0.61 5.34 0.22 5.04 2.01 -0.96 -1.58 115.64 126.32 3ikc s THR 182 Ca -0.07 0.17 0.05 0.00 0.31 0.00 0.00 61.69 62.16 3ikc s THR 182 Cb -0.10 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 68.89 3ikc s THR 182 CO -0.01 0.37 -0.07 0.68 -0.69 0.00 0.00 174.62 174.91 3ikc s VAL 183 N 0.85 1.34 0.25 3.82 -7.23 -0.44 -4.67 120.40 114.33 3ikc s VAL 183 Ca 0.07 -2.10 -0.30 0.00 -1.81 0.00 0.00 61.98 57.85 3ikc s VAL 183 Cb -0.13 -2.19 -0.09 0.00 0.56 0.00 0.00 36.38 34.52 3ikc s VAL 183 CO 0.03 -0.47 1.30 -2.84 -0.31 0.00 0.00 175.10 172.81 3ikc s PRO 184 N -3.76 4.39 0.64 4.82 0.02 -1.26 -0.72 135.00 139.13 3ikc s PRO 184 Ca 0.25 2.10 0.40 0.00 0.02 0.00 0.00 61.00 63.77 3ikc s PRO 184 Cb 0.03 -3.15 2.19 0.00 0.02 0.00 0.00 34.50 33.59 3ikc s PRO 184 CO 0.07 -0.21 2.23 0.66 -0.33 0.00 0.00 177.00 179.43 3ikc h SER 185 N 4.63 0.00 0.46 2.53 4.64 -0.14 0.54 113.55 126.21 3ikc h SER 185 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3ikc h SER 185 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3ikc h SER 185 CO 0.73 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.15 3ikc n SER 186 N -2.97 0.00 -0.06 4.97 3.41 -1.26 -3.26 113.62 114.45 3ikc n SER 186 Ca -0.03 -0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.45 3ikc n SER 186 Cb 0.12 -0.30 -0.14 0.00 -0.26 0.00 0.00 64.21 63.63 3ikc n SER 186 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3ikc n THR 187 N -1.30 1.55 -4.06 6.66 -1.04 0.19 -4.72 114.28 111.56 3ikc n THR 187 Ca 0.10 -0.76 -0.16 0.00 -2.04 0.00 0.00 64.05 61.20 3ikc n THR 187 Cb 0.19 -1.02 -0.15 0.00 -1.82 0.00 0.00 70.33 67.53 3ikc n THR 187 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 3ikc s TRP 188 N -2.54 0.36 -2.22 -1.42 -0.00 -1.20 -0.26 118.94 111.66 3ikc s TRP 188 Ca -0.14 -0.06 0.19 0.00 -0.00 0.00 0.00 56.10 56.09 3ikc s TRP 188 Cb 0.07 -0.28 0.72 0.00 -0.00 0.00 0.00 33.47 33.98 3ikc s TRP 188 CO 0.78 -0.04 1.52 -2.30 -0.00 0.00 0.00 176.95 176.91 3ikc n PRO 189 N 3.27 1.67 -0.30 5.86 -0.02 -1.26 -4.75 135.00 139.47 3ikc n PRO 189 Ca -0.16 -1.02 0.23 0.00 -2.02 0.00 0.00 63.50 60.53 3ikc n PRO 189 Cb 0.57 -1.37 0.52 0.00 -0.02 0.00 0.00 33.50 33.20 3ikc n PRO 189 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3ikc h SER 190 N 2.00 0.41 -0.42 2.55 4.64 -1.85 -3.41 113.55 117.47 3ikc h SER 190 Ca 0.00 0.07 -0.64 0.00 -0.47 0.00 0.00 61.79 60.75 3ikc h SER 190 Cb 0.44 -0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.43 3ikc h SER 190 CO 0.00 0.10 -0.42 -1.10 -0.87 0.00 0.00 176.83 174.54 3ikc s GLN 191 N -5.44 2.22 -0.04 4.77 -0.21 0.65 -5.08 119.66 116.53 3ikc s GLN 191 Ca -0.08 -2.25 -0.18 0.00 0.02 0.00 0.00 55.36 52.87 3ikc s GLN 191 Cb 0.24 -1.77 -0.05 0.00 1.00 0.00 0.00 33.01 32.43 3ikc s GLN 191 CO 0.79 -0.48 0.49 0.99 -2.12 0.00 0.00 175.29 174.96 3ikc s THR 192 N -2.84 5.04 -0.13 -0.19 2.01 -1.26 -4.64 115.64 113.63 3ikc s THR 192 Ca 0.17 1.00 -0.00 0.00 0.31 0.00 0.00 61.69 63.17 3ikc s THR 192 Cb -0.00 -3.81 0.03 0.00 0.01 0.00 0.00 72.50 68.72 3ikc s THR 192 CO 0.10 0.45 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.71 3ikc s VAL 193 N -0.24 1.12 -0.01 3.82 1.01 -1.26 -4.97 120.40 119.87 3ikc s VAL 193 Ca 0.26 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.86 3ikc s VAL 193 Cb -0.17 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.05 3ikc s VAL 193 CO 0.13 0.33 -0.09 -0.63 0.00 0.00 0.00 175.10 174.84 3ikc s ILE 194 N 1.66 0.72 0.07 2.22 1.01 -1.26 -0.49 121.20 125.12 3ikc s ILE 194 Ca 0.04 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.35 3ikc s ILE 194 Cb -0.13 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 3ikc s ILE 194 CO -0.08 0.21 0.09 0.00 0.00 0.00 0.00 174.94 175.15 3ikc s ASN 196 N -2.35 4.64 -0.29 0.00 -0.87 0.69 -1.63 114.94 115.13 3ikc s ASN 196 Ca 0.29 -1.58 -0.14 0.00 -1.57 0.00 0.00 52.86 49.86 3ikc s ASN 196 Cb -0.12 -1.61 -0.03 0.00 -0.02 0.00 0.00 41.25 39.46 3ikc s ASN 196 CO 0.22 -0.26 0.34 -0.69 -2.57 0.00 0.00 177.10 174.13 3ikc s VAL 197 N 1.09 5.20 -0.13 1.60 1.01 0.03 -1.55 120.40 127.63 3ikc s VAL 197 Ca -0.03 0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 3ikc s VAL 197 Cb -0.20 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 3ikc s VAL 197 CO -0.05 0.11 -0.08 0.00 0.00 0.00 0.00 175.10 175.09 3ikc s ALA 198 N 2.00 2.85 -0.50 5.51 0.00 0.64 -1.07 121.76 131.19 3ikc s ALA 198 Ca 0.13 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.27 3ikc s ALA 198 Cb -0.16 -1.38 0.14 0.00 0.00 0.00 0.00 23.12 21.72 3ikc s ALA 198 CO 0.11 0.28 0.29 -1.58 0.00 0.00 0.00 175.76 174.86 3ikc s HIS 199 N 0.18 2.57 0.27 0.00 2.46 -0.34 -0.97 115.29 119.46 3ikc s HIS 199 Ca -0.04 -2.81 -0.03 0.00 0.47 0.00 0.00 55.06 52.65 3ikc s HIS 199 Cb -0.14 -2.27 0.58 0.00 -0.13 0.00 0.00 32.58 30.62 3ikc s HIS 199 CO 0.04 -0.73 1.61 -1.35 -2.47 0.00 0.00 174.74 171.84 3ikc h PRO 200 N 6.39 0.09 -0.36 2.88 0.11 -1.81 -1.65 132.00 137.64 3ikc h PRO 200 Ca 0.01 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.17 3ikc h PRO 200 Cb 0.89 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 3ikc h PRO 200 CO 0.58 0.06 0.25 0.00 -0.21 0.00 0.00 178.00 178.67 3ikc h ALA 201 N 1.82 2.06 -0.47 -0.75 0.00 -1.86 0.71 119.26 120.76 3ikc h ALA 201 Ca 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3ikc h ALA 201 Cb 0.94 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3ikc h ALA 201 CO -0.76 -0.14 0.00 -1.13 0.00 0.00 0.00 179.25 177.23 3ikc n SER 202 N -4.47 3.37 -3.94 0.00 3.41 -0.65 -4.87 113.62 106.45 3ikc n SER 202 Ca 0.04 -1.96 -0.28 0.00 -0.26 0.00 0.00 58.87 56.42 3ikc n SER 202 Cb 0.28 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 3ikc n SER 202 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ikc n LYS 203 N 1.19 -4.22 -5.19 4.33 4.76 0.24 -4.94 118.16 114.32 3ikc n LYS 203 Ca 0.18 0.50 -0.30 0.00 -2.87 0.00 0.00 58.31 55.82 3ikc n LYS 203 Cb 0.53 -5.04 -0.16 0.00 -1.84 0.00 0.00 35.03 28.53 3ikc n LYS 203 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3ikc s THR 204 N -3.59 1.94 -0.08 -0.18 2.01 -1.11 -5.03 115.64 109.61 3ikc s THR 204 Ca 0.33 -1.07 0.03 0.00 0.31 0.00 0.00 61.69 61.29 3ikc s THR 204 Cb -0.17 -1.62 0.01 0.00 0.01 0.00 0.00 72.50 70.73 3ikc s THR 204 CO 0.86 0.53 -0.17 -1.61 -0.69 0.00 0.00 174.62 173.54 3ikc s GLU 205 N -0.63 2.24 -0.14 4.92 2.02 -1.26 -1.20 118.70 124.66 3ikc s GLU 205 Ca 0.10 -0.61 -0.00 0.00 0.02 0.00 0.00 54.97 54.48 3ikc s GLU 205 Cb -0.09 -1.77 -0.01 0.00 0.10 0.00 0.00 34.13 32.36 3ikc s GLU 205 CO -0.01 0.10 -0.14 -0.51 0.02 0.00 0.00 175.26 174.73 3ikc s LEU 206 N 0.51 2.66 -0.11 1.80 1.43 -0.23 -4.99 118.68 119.75 3ikc s LEU 206 Ca -0.16 -0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 52.55 3ikc s LEU 206 Cb -0.17 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 3ikc s LEU 206 CO 0.06 0.15 0.03 0.27 0.23 0.00 0.00 176.35 177.09 3ikc s ILE 207 N 0.46 4.56 -0.19 -0.59 -4.36 -1.26 -0.79 121.20 119.03 3ikc s ILE 207 Ca -0.10 -0.15 -0.01 0.00 -0.26 0.00 0.00 60.65 60.13 3ikc s ILE 207 Cb -0.16 -2.95 0.05 0.00 1.25 0.00 0.00 42.46 40.65 3ikc s ILE 207 CO 0.05 0.59 -0.01 -0.75 0.24 0.00 0.00 174.94 175.06 3ikc s LYS 208 N -0.72 1.07 -0.07 0.37 2.47 -0.64 -5.01 119.74 117.21 3ikc s LYS 208 Ca 0.12 -0.56 -0.29 0.00 -1.56 0.00 0.00 55.97 53.68 3ikc s LYS 208 Cb -0.12 -2.14 -0.02 0.00 -1.46 0.00 0.00 37.83 34.09 3ikc s LYS 208 CO 0.02 -0.56 0.97 0.50 0.16 0.00 0.00 175.35 176.44 3ikc s ARG 209 N 1.70 4.47 -0.54 4.03 3.52 -1.26 -2.01 118.95 128.86 3ikc s ARG 209 Ca -0.01 1.36 -0.26 0.00 -0.13 0.00 0.00 55.73 56.68 3ikc s ARG 209 Cb -0.17 -3.51 0.03 0.00 -1.56 0.00 0.00 34.95 29.75 3ikc s ARG 209 CO -0.07 -0.19 1.03 0.42 -0.81 0.00 0.00 175.30 175.67 3ikc s ILE 210 N 1.57 4.28 0.15 4.11 -1.09 0.35 -5.01 121.20 125.56 3ikc s ILE 210 Ca 0.49 0.64 0.06 0.00 -2.23 0.00 0.00 60.65 59.60 3ikc s ILE 210 Cb -0.19 -4.58 -0.04 0.00 -1.58 0.00 0.00 42.46 36.07 3ikc s ILE 210 CO 0.22 -1.12 0.07 -1.61 -1.23 0.00 0.00 174.94 171.26 3ikc s GLU 211 N 4.26 2.69 0.65 2.79 0.41 -1.26 -4.65 118.70 123.59 3ikc s GLU 211 Ca 0.37 -0.92 -0.17 0.00 -0.41 0.00 0.00 54.97 53.84 3ikc s GLU 211 Cb -0.10 -2.55 -0.01 0.00 -1.78 0.00 0.00 34.13 29.70 3ikc s GLU 211 CO 0.24 0.49 1.17 -2.14 -0.49 0.00 0.00 175.26 174.53 3ikc s PRO 212 N -2.86 2.72 0.00 0.39 0.02 -1.26 -4.94 135.00 129.07 3ikc s PRO 212 Ca 0.29 1.66 0.25 0.00 0.02 0.00 0.00 61.00 63.22 3ikc s PRO 212 Cb -0.10 -1.92 1.50 0.00 0.02 0.00 0.00 34.50 34.00 3ikc s PRO 212 CO 0.21 -1.36 1.86 0.54 -0.33 0.00 0.00 177.00 177.91