#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 4.51 -0.10 6.31 1.01 -1.26 -4.10 120.40 126.78 3ikc s VAL 2 Ca 0.00 1.82 0.03 0.00 0.00 0.00 0.00 61.98 63.83 3ikc s VAL 2 Cb 0.00 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.21 3ikc s VAL 2 CO 0.00 -0.10 -0.21 -0.04 0.00 0.00 0.00 175.10 174.76 3ikc s MET 3 N 2.85 2.70 -0.07 2.72 -1.94 -0.25 -5.00 119.30 120.30 3ikc s MET 3 Ca 0.50 -0.75 0.05 0.00 -1.71 0.00 0.00 55.69 53.78 3ikc s MET 3 Cb -0.19 -2.10 -0.01 0.00 2.01 0.00 0.00 34.83 34.54 3ikc s MET 3 CO 0.14 0.10 -0.24 -0.51 -0.01 0.00 0.00 175.02 174.50 3ikc s LEU 4 N 0.52 2.07 -0.17 -0.03 1.02 -1.26 -1.36 118.68 119.47 3ikc s LEU 4 Ca -0.16 -0.52 -0.04 0.00 0.02 0.00 0.00 54.13 53.43 3ikc s LEU 4 Cb -0.17 -1.37 0.07 0.00 0.02 0.00 0.00 46.19 44.74 3ikc s LEU 4 CO 0.06 0.22 0.14 -0.69 0.02 0.00 0.00 176.35 176.10 3ikc s VAL 5 N -0.01 -0.19 0.18 -1.59 1.01 0.26 -4.15 120.40 115.90 3ikc s VAL 5 Ca -0.08 -0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.65 3ikc s VAL 5 Cb -0.15 -0.56 -0.08 0.00 0.00 0.00 0.00 36.38 35.59 3ikc s VAL 5 CO 0.05 -0.19 0.67 -1.61 0.00 0.00 0.00 175.10 174.03 3ikc s GLU 6 N 2.22 4.22 0.11 2.72 8.01 -1.26 -0.18 118.70 134.54 3ikc s GLU 6 Ca 0.04 0.81 -0.06 0.00 0.01 0.00 0.00 54.97 55.77 3ikc s GLU 6 Cb -0.15 -2.98 -0.02 0.00 -4.31 0.00 0.00 34.13 26.67 3ikc s GLU 6 CO -0.09 0.46 0.16 -1.12 0.01 0.00 0.00 175.26 174.67 3ikc s SER 7 N -1.54 0.19 0.00 -0.19 0.01 -0.13 -4.68 113.70 107.37 3ikc s SER 7 Ca 0.39 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.80 3ikc s SER 7 Cb -0.17 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.39 3ikc s SER 7 CO 0.21 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.72 3ikc n GLY 8 N -0.08 1.38 1.99 3.44 0.00 -1.26 -1.21 105.19 109.45 3ikc n GLY 8 Ca -0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 3ikc n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ikc n GLY 9 N -0.71 -3.52 0.00 -0.02 0.00 -1.26 -4.86 105.19 94.82 3ikc n GLY 9 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 3ikc n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ikc n GLY 10 N -3.07 0.59 3.78 -0.02 0.00 -0.07 -4.99 105.19 101.41 3ikc n GLY 10 Ca 0.09 -1.92 -0.36 0.00 0.00 0.00 0.00 46.02 43.82 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 4.31 -0.07 0.99 2.96 -1.26 -1.43 118.68 124.17 3ikc s LEU 11 Ca 0.00 0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 54.38 3ikc s LEU 11 Cb 0.00 -2.27 0.04 0.00 0.50 0.00 0.00 46.19 44.45 3ikc s LEU 11 CO 0.00 0.22 0.17 0.54 -1.32 0.00 0.00 176.35 175.97 3ikc s VAL 12 N -0.14 -0.04 0.49 1.68 0.11 -0.90 -4.99 120.40 116.60 3ikc s VAL 12 Ca 0.15 0.14 -0.21 0.00 -2.93 0.00 0.00 61.98 59.13 3ikc s VAL 12 Cb -0.13 -0.27 -0.07 0.00 -1.53 0.00 0.00 36.38 34.38 3ikc s VAL 12 CO 0.04 0.06 1.12 -1.10 -3.33 0.00 0.00 175.10 171.89 3ikc s GLN 13 N 0.98 3.64 0.33 1.54 -1.52 -1.26 -1.53 119.66 121.84 3ikc s GLN 13 Ca -0.07 1.62 -0.28 0.00 -1.95 0.00 0.00 55.36 54.68 3ikc s GLN 13 Cb -0.09 -2.21 -0.13 0.00 -0.22 0.00 0.00 33.01 30.36 3ikc s GLN 13 CO -0.05 -0.61 1.13 -2.30 -0.25 0.00 0.00 175.29 173.20 3ikc n PRO 14 N -0.84 1.68 0.00 2.91 -0.02 -1.26 -2.55 135.00 134.92 3ikc n PRO 14 Ca 0.09 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3ikc n PRO 14 Cb 0.50 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 1.02 3.14 3.77 -1.23 0.00 0.11 -4.89 105.19 107.12 3ikc n GLY 15 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 3ikc n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ikc s ASN 16 N -0.53 3.18 0.22 1.61 0.01 -1.06 -3.37 114.94 115.00 3ikc s ASN 16 Ca 0.00 0.88 0.07 0.00 -0.71 0.00 0.00 52.86 53.10 3ikc s ASN 16 Cb 0.00 -1.39 -0.04 0.00 0.41 0.00 0.00 41.25 40.24 3ikc s ASN 16 CO 0.00 -2.75 0.17 -0.44 -1.51 0.00 0.00 177.10 172.57 3ikc s SER 17 N -4.06 5.47 -0.13 -1.22 0.01 -1.26 -2.56 113.70 109.95 3ikc s SER 17 Ca 0.65 -0.23 -0.12 0.00 1.31 0.00 0.00 55.95 57.56 3ikc s SER 17 Cb -0.14 -1.39 0.03 0.00 0.21 0.00 0.00 66.02 64.74 3ikc s SER 17 CO 0.54 -0.00 0.35 -0.22 0.41 0.00 0.00 173.24 174.32 3ikc s LEU 18 N -3.60 0.65 -0.17 2.44 2.96 -0.50 -5.01 118.68 115.45 3ikc s LEU 18 Ca 0.32 0.71 -0.03 0.00 -0.22 0.00 0.00 54.13 54.91 3ikc s LEU 18 Cb -0.08 1.21 -0.02 0.00 0.50 0.00 0.00 46.19 47.80 3ikc s LEU 18 CO 0.24 -0.12 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.50 3ikc s ARG 19 N 0.18 3.55 0.19 1.98 3.52 -1.26 -0.49 118.95 126.62 3ikc s ARG 19 Ca -0.00 -0.57 -0.01 0.00 -0.13 0.00 0.00 55.73 55.02 3ikc s ARG 19 Cb -0.02 -2.90 -0.04 0.00 -1.56 0.00 0.00 34.95 30.42 3ikc s ARG 19 CO 0.00 0.12 0.37 -0.51 -0.81 0.00 0.00 175.30 174.48 3ikc s LEU 20 N 0.66 4.25 0.07 -0.88 1.43 0.32 -4.69 118.68 119.83 3ikc s LEU 20 Ca -0.03 0.38 0.05 0.00 -1.03 0.00 0.00 54.13 53.51 3ikc s LEU 20 Cb -0.15 -3.14 -0.03 0.00 0.03 0.00 0.00 46.19 42.90 3ikc s LEU 20 CO 0.02 -0.02 -0.15 -0.94 0.23 0.00 0.00 176.35 175.50 3ikc s SER 21 N -3.09 1.75 -0.23 2.29 1.04 -0.35 -1.27 113.70 113.82 3ikc s SER 21 Ca 0.38 -0.60 0.01 0.00 0.48 0.00 0.00 55.95 56.22 3ikc s SER 21 Cb -0.11 -0.06 0.06 0.00 0.10 0.00 0.00 66.02 66.00 3ikc s SER 21 CO 0.29 -0.05 -0.07 0.00 0.98 0.00 0.00 173.24 174.38 3ikc s ALA 23 N 1.33 3.41 0.06 0.00 0.00 0.74 -0.34 121.76 126.95 3ikc s ALA 23 Ca -0.06 0.04 0.08 0.00 0.00 0.00 0.00 51.96 52.02 3ikc s ALA 23 Cb -0.19 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 3ikc s ALA 23 CO -0.06 -0.27 -0.22 0.95 0.00 0.00 0.00 175.76 176.15 3ikc s THR 24 N 1.22 1.78 0.09 0.00 -4.23 -0.97 -0.57 115.64 112.96 3ikc s THR 24 Ca 0.36 -1.33 -0.14 0.00 -1.18 0.00 0.00 61.69 59.39 3ikc s THR 24 Cb -0.17 -1.56 0.02 0.00 1.34 0.00 0.00 72.50 72.13 3ikc s THR 24 CO 0.16 0.17 0.34 -0.94 -0.54 0.00 0.00 174.62 173.80 3ikc s SER 25 N -1.39 -0.15 0.00 3.99 1.04 -0.47 -4.83 113.70 111.90 3ikc s SER 25 Ca 0.08 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.20 3ikc s SER 25 Cb -0.09 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.44 3ikc s SER 25 CO 0.03 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.10 3ikc n GLY 26 N 0.08 0.70 3.75 7.32 0.00 -1.26 -1.09 105.19 114.68 3ikc n GLY 26 Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.09 -0.02 -0.71 1.61 -0.71 -1.26 -4.52 117.98 110.28 3ikc s PHE 27 Ca 0.00 -0.40 -0.27 0.00 -1.04 0.00 0.00 56.93 55.23 3ikc s PHE 27 Cb 0.00 0.53 0.02 0.00 -1.21 0.00 0.00 43.02 42.36 3ikc s PHE 27 CO 0.00 -1.14 1.41 0.99 -1.34 0.00 0.00 175.22 175.14 3ikc s THR 28 N -3.94 3.64 0.14 -4.49 2.01 -1.26 -4.89 115.64 106.85 3ikc s THR 28 Ca 0.14 0.37 -0.22 0.00 0.31 0.00 0.00 61.69 62.29 3ikc s THR 28 Cb -0.04 -4.70 0.01 0.00 0.01 0.00 0.00 72.50 67.77 3ikc s THR 28 CO 0.07 -1.65 1.65 0.15 -0.69 0.00 0.00 174.62 174.15 3ikc h PHE 29 N 11.10 -0.52 0.00 4.92 3.57 -1.96 -1.77 116.94 132.28 3ikc h PHE 29 Ca -0.28 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.25 3ikc h PHE 29 Cb 1.07 0.26 0.00 0.00 2.79 0.00 0.00 35.95 40.07 3ikc h PHE 29 CO 1.11 -0.28 0.00 0.25 -2.23 0.00 0.00 178.31 177.16 3ikc n THR 30 N -5.34 1.44 0.73 4.41 -2.24 -1.26 -1.42 114.28 110.60 3ikc n THR 30 Ca -0.02 0.38 0.13 0.00 -2.27 0.00 0.00 64.05 62.27 3ikc n THR 30 Cb 0.26 -1.25 0.41 0.00 -2.10 0.00 0.00 70.33 67.65 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 -1.55 0.58 -4.37 3.42 8.00 -0.66 -0.95 116.55 121.02 3ikc n ASP 31 Ca 0.02 0.43 -0.32 0.00 0.71 0.00 0.00 54.79 55.63 3ikc n ASP 31 Cb 0.09 -0.51 -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 2.50 0.52 1.24 2.02 -0.51 -4.38 117.35 115.66 3ikc s TYR 32 Ca 0.11 -0.39 -0.22 0.00 -0.37 0.00 0.00 57.07 56.20 3ikc s TYR 32 Cb 0.14 -1.57 -0.06 0.00 -0.40 0.00 0.00 41.96 40.08 3ikc s TYR 32 CO 0.61 0.01 1.32 0.71 -1.57 0.00 0.00 175.55 176.63 3ikc s TYR 33 N -0.55 2.42 -0.09 2.71 1.51 0.38 -4.10 117.35 119.62 3ikc s TYR 33 Ca 0.08 1.40 0.03 0.00 -1.01 0.00 0.00 57.07 57.57 3ikc s TYR 33 Cb -0.11 -3.72 0.01 0.00 -0.11 0.00 0.00 41.96 38.03 3ikc s TYR 33 CO 0.00 -2.62 -0.18 -1.64 -1.11 0.00 0.00 175.55 170.01 3ikc s MET 34 N -2.83 2.40 0.07 -0.62 -1.94 -0.08 0.03 119.30 116.34 3ikc s MET 34 Ca 0.69 -0.65 0.06 0.00 -1.71 0.00 0.00 55.69 54.08 3ikc s MET 34 Cb -0.38 -1.91 -0.04 0.00 2.01 0.00 0.00 34.83 34.51 3ikc s MET 34 CO 0.46 0.06 -0.09 -1.12 -0.01 0.00 0.00 175.02 174.32 3ikc s SER 35 N 0.63 4.44 -0.09 3.03 0.01 -0.15 -1.29 113.70 120.29 3ikc s SER 35 Ca -0.14 -0.31 -0.03 0.00 1.31 0.00 0.00 55.95 56.78 3ikc s SER 35 Cb -0.16 -0.91 -0.03 0.00 0.21 0.00 0.00 66.02 65.13 3ikc s SER 35 CO 0.04 0.21 0.03 0.26 0.41 0.00 0.00 173.24 174.19 3ikc s TRP 36 N -1.14 3.24 -0.01 2.43 0.52 0.19 -0.41 118.94 123.76 3ikc s TRP 36 Ca 0.20 0.25 0.00 0.00 0.02 0.00 0.00 56.10 56.57 3ikc s TRP 36 Cb -0.11 -1.81 0.01 0.00 -1.15 0.00 0.00 33.47 30.41 3ikc s TRP 36 CO 0.12 0.52 -0.01 0.08 0.02 0.00 0.00 176.95 177.68 3ikc s VAL 37 N -0.92 0.11 0.31 4.03 1.01 0.12 -1.00 120.40 124.06 3ikc s VAL 37 Ca 0.14 -0.00 0.11 0.00 0.00 0.00 0.00 61.98 62.23 3ikc s VAL 37 Cb -0.11 -0.14 -0.06 0.00 0.00 0.00 0.00 36.38 36.07 3ikc s VAL 37 CO 0.03 0.07 -0.13 0.00 0.00 0.00 0.00 175.10 175.07 3ikc s ARG 38 N 0.32 1.81 -0.27 2.72 1.70 -0.72 0.16 118.95 124.67 3ikc s ARG 38 Ca -0.03 -1.80 -0.01 0.00 -0.47 0.00 0.00 55.73 53.42 3ikc s ARG 38 Cb -0.05 -1.79 0.14 0.00 -0.57 0.00 0.00 34.95 32.68 3ikc s ARG 38 CO -0.01 0.24 0.38 -1.14 -1.08 0.00 0.00 175.30 173.69 3ikc s GLN 39 N -3.58 0.37 0.63 3.89 0.74 0.79 -1.32 119.66 121.18 3ikc s GLN 39 Ca 0.31 0.28 -0.18 0.00 0.05 0.00 0.00 55.36 55.83 3ikc s GLN 39 Cb -0.02 -0.44 -0.02 0.00 1.10 0.00 0.00 33.01 33.63 3ikc s GLN 39 CO 0.16 -0.85 1.26 -2.14 -0.55 0.00 0.00 175.29 173.17 3ikc s PRO 40 N 2.52 2.68 0.14 1.67 0.02 -1.26 -1.05 135.00 139.72 3ikc s PRO 40 Ca 0.11 1.96 -0.34 0.00 0.02 0.00 0.00 61.00 62.75 3ikc s PRO 40 Cb -0.14 -1.87 -0.14 0.00 0.02 0.00 0.00 34.50 32.37 3ikc s PRO 40 CO -0.24 -1.47 1.57 -2.30 -0.33 0.00 0.00 177.00 174.24 3ikc n PRO 41 N -1.84 2.07 0.00 5.54 -0.02 -1.26 -1.52 135.00 137.98 3ikc n PRO 41 Ca 0.15 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3ikc n PRO 41 Cb 0.49 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 3.39 2.47 0.00 -1.23 0.00 -1.26 -4.99 105.19 103.57 3ikc n GLY 42 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3ikc n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ikc n LYS 43 N -2.00 2.35 -3.22 1.61 4.76 -0.57 -5.13 118.16 115.96 3ikc n LYS 43 Ca 0.00 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.23 3ikc n LYS 43 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3ikc n LYS 43 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ikc s ALA 44 N -2.00 3.97 0.12 7.82 0.00 -1.26 -4.79 121.76 125.62 3ikc s ALA 44 Ca 0.00 -1.24 -0.31 0.00 0.00 0.00 0.00 51.96 50.41 3ikc s ALA 44 Cb 0.00 -1.93 -0.07 0.00 0.00 0.00 0.00 23.12 21.12 3ikc s ALA 44 CO 0.00 -0.22 1.30 -0.51 0.00 0.00 0.00 175.76 176.34 3ikc s LEU 45 N -4.38 4.38 -0.18 0.00 1.43 -1.26 -4.40 118.68 114.28 3ikc s LEU 45 Ca 0.47 2.24 0.00 0.00 -1.03 0.00 0.00 54.13 55.81 3ikc s LEU 45 Cb -0.10 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.57 3ikc s LEU 45 CO 0.35 -0.55 -0.08 -0.70 0.23 0.00 0.00 176.35 175.60 3ikc s GLU 46 N 0.77 1.73 0.20 1.70 2.12 -0.43 -5.01 118.70 119.78 3ikc s GLU 46 Ca 0.61 -0.66 -0.31 0.00 0.36 0.00 0.00 54.97 54.96 3ikc s GLU 46 Cb -0.34 -2.19 -0.11 0.00 0.26 0.00 0.00 34.13 31.75 3ikc s GLU 46 CO 0.32 -0.42 1.58 -0.46 -0.54 0.00 0.00 175.26 175.74 3ikc s TRP 47 N 1.52 2.99 -0.21 5.30 -0.00 -1.26 -1.76 118.94 125.51 3ikc s TRP 47 Ca 0.00 0.66 0.06 0.00 -0.00 0.00 0.00 56.10 56.82 3ikc s TRP 47 Cb -0.16 -3.97 -0.17 0.00 -0.00 0.00 0.00 33.47 29.17 3ikc s TRP 47 CO -0.08 -3.50 -0.12 1.28 -0.00 0.00 0.00 176.95 174.54 3ikc n LEU 48 N 3.48 2.03 0.00 5.86 4.77 -0.17 -4.69 117.00 128.28 3ikc n LEU 48 Ca 0.12 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3ikc n LEU 48 Cb 0.38 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3ikc n LEU 48 CO 0.62 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 178.03 3ikc n GLY 49 N 2.25 1.75 3.24 -0.72 0.00 -1.21 -1.45 105.19 109.05 3ikc n GLY 49 Ca -0.37 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 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 0.89 -0.02 1.61 -0.12 -0.95 -0.64 117.98 116.74 3ikc s PHE 50 Ca 0.00 -1.19 0.05 0.00 -0.05 0.00 0.00 56.93 55.74 3ikc s PHE 50 Cb 0.00 -0.39 -0.01 0.00 -0.63 0.00 0.00 43.02 41.99 3ikc s PHE 50 CO 0.00 -0.65 -0.17 -1.50 -0.05 0.00 0.00 175.22 172.85 3ikc s ILE 51 N -4.09 1.39 0.93 -4.49 2.07 -0.41 -2.02 121.20 114.58 3ikc s ILE 51 Ca 0.30 -0.74 -0.15 0.00 -1.41 0.00 0.00 60.65 58.65 3ikc s ILE 51 Cb 0.06 -1.17 0.18 0.00 0.13 0.00 0.00 42.46 41.66 3ikc s ILE 51 CO 0.07 0.40 1.30 -0.13 -1.91 0.00 0.00 174.94 174.66 3ikc s ARG 52 N -0.29 0.89 0.94 3.50 0.52 0.14 -0.90 118.95 123.74 3ikc s ARG 52 Ca 0.04 -0.31 -0.14 0.00 -0.52 0.00 0.00 55.73 54.80 3ikc s ARG 52 Cb -0.08 -1.87 0.20 0.00 0.52 0.00 0.00 34.95 33.72 3ikc s ARG 52 CO 0.00 -2.26 1.29 0.54 0.02 0.00 0.00 175.30 174.88 3ikc s ASN 52 N -4.83 3.22 0.19 0.23 2.20 -1.26 -3.90 114.94 110.78 3ikc s ASN 52 Ca 0.72 0.16 -0.12 0.00 -0.94 0.00 0.00 52.86 52.68 3ikc s ASN 52 Cb -0.05 -0.23 0.12 0.00 -2.00 0.00 0.00 41.25 39.09 3ikc s ASN 52 CO 0.52 -2.66 1.83 0.50 -2.94 0.00 0.00 177.10 174.36 3ikc h LYS 52 N -1.52 0.70 -0.95 3.55 3.64 -1.36 -0.25 116.57 120.38 3ikc h LYS 52 Ca -0.43 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.00 3ikc h LYS 52 Cb 1.23 -0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.83 3ikc h LYS 52 CO 0.37 0.46 0.61 0.00 -2.27 0.00 0.00 179.45 178.62 3ikc h ALA 52 N 1.25 1.56 -0.01 5.00 0.00 -1.94 0.11 119.26 125.24 3ikc h ALA 52 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ikc h ALA 52 Cb -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3ikc h ALA 52 CO -0.09 0.24 -0.07 1.63 0.00 0.00 0.00 179.25 180.96 3ikc n LYS 53 N -4.55 1.15 -1.85 0.00 4.76 -0.97 -4.93 118.16 111.79 3ikc n LYS 53 Ca 0.16 -0.53 0.00 0.00 -2.87 0.00 0.00 58.31 55.08 3ikc n LYS 53 Cb 0.30 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 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 1.20 0.59 3.30 0.72 0.00 0.39 -4.16 105.19 107.23 3ikc n GLY 54 Ca 0.18 -0.78 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.52 -1.71 -1.35 1.61 4.01 -0.16 -4.92 117.16 111.12 3ikc n TYR 55 Ca 0.00 0.39 -0.30 0.00 -0.16 0.00 0.00 57.90 57.83 3ikc n TYR 55 Cb 0.45 -2.52 0.11 0.00 -0.31 0.00 0.00 39.34 37.07 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 -2.81 2.95 0.17 -0.72 -4.23 -1.26 -4.38 115.64 105.36 3ikc s THR 56 Ca 0.36 0.31 0.09 0.00 -1.18 0.00 0.00 61.69 61.27 3ikc s THR 56 Cb -0.20 -2.89 -0.04 0.00 1.34 0.00 0.00 72.50 70.71 3ikc s THR 56 CO 0.44 -0.40 -0.12 0.42 -0.54 0.00 0.00 174.62 174.42 3ikc s THR 57 N -3.01 3.09 0.03 3.99 -4.23 -1.26 -0.68 115.64 113.56 3ikc s THR 57 Ca 0.62 -1.64 -0.07 0.00 -1.18 0.00 0.00 61.69 59.42 3ikc s THR 57 Cb -0.16 -2.51 -0.00 0.00 1.34 0.00 0.00 72.50 71.17 3ikc s THR 57 CO 0.56 -0.07 0.13 -1.61 -0.54 0.00 0.00 174.62 173.09 3ikc s GLU 58 N -2.69 0.57 0.06 3.99 0.41 -0.86 -5.02 118.70 115.16 3ikc s GLU 58 Ca 0.23 -0.60 0.01 0.00 -0.41 0.00 0.00 54.97 54.20 3ikc s GLU 58 Cb -0.09 0.23 -0.03 0.00 -1.78 0.00 0.00 34.13 32.45 3ikc s GLU 58 CO 0.14 -0.14 -0.05 0.71 -0.49 0.00 0.00 175.26 175.43 3ikc s TYR 59 N -2.15 0.60 0.51 1.61 2.02 -1.26 -2.25 117.35 116.42 3ikc s TYR 59 Ca -0.09 -0.83 -0.18 0.00 -0.37 0.00 0.00 57.07 55.61 3ikc s TYR 59 Cb -0.04 -0.39 -0.08 0.00 -0.40 0.00 0.00 41.96 41.06 3ikc s TYR 59 CO -0.02 -0.23 1.00 -1.54 -1.57 0.00 0.00 175.55 173.19 3ikc s SER 60 N -2.45 6.48 0.24 2.29 1.04 -0.53 -4.87 113.70 115.91 3ikc s SER 60 Ca 0.01 1.71 -0.04 0.00 0.48 0.00 0.00 55.95 58.11 3ikc s SER 60 Cb 0.01 -2.53 0.43 0.00 0.10 0.00 0.00 66.02 64.03 3ikc s SER 60 CO -0.05 -0.68 1.77 0.00 0.98 0.00 0.00 173.24 175.25 3ikc h ALA 61 N 1.17 1.12 0.00 5.32 0.00 -1.94 -0.26 119.26 124.66 3ikc h ALA 61 Ca -0.48 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3ikc h ALA 61 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3ikc h ALA 61 CO 0.60 -0.08 0.12 0.66 0.00 0.00 0.00 179.25 180.55 3ikc h SER 62 N 0.60 0.00 0.00 0.00 4.64 -1.94 -2.20 113.55 114.64 3ikc h SER 62 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3ikc h SER 62 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3ikc h SER 62 CO -0.33 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 176.96 3ikc n VAL 63 N -2.92 0.00 -1.60 0.95 0.24 -0.82 -5.02 118.33 109.17 3ikc n VAL 63 Ca -0.02 -0.36 -0.57 0.00 -2.04 0.00 0.00 64.34 61.35 3ikc n VAL 63 Cb 0.17 1.19 -0.07 0.00 -1.47 0.00 0.00 33.84 33.66 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 -0.23 0.65 -0.95 7.34 5.02 -0.17 -0.47 118.16 129.35 3ikc n LYS 64 Ca 0.00 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 3ikc n LYS 64 Cb 0.05 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.24 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 2.61 0.47 0.00 0.72 0.00 -1.26 -4.75 105.19 102.98 3ikc n GLY 65 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.87 0.43 -4.22 1.61 0.63 0.38 -5.05 116.66 108.57 3ikc n ARG 66 Ca 0.00 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.61 3ikc n ARG 66 Cb 0.10 -0.85 -0.08 0.00 0.45 0.00 0.00 32.46 32.07 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 -1.71 3.05 0.03 -0.14 0.40 -0.57 -1.91 117.98 117.13 3ikc s PHE 67 Ca 0.00 0.04 0.04 0.00 -0.60 0.00 0.00 56.93 56.41 3ikc s PHE 67 Cb 0.00 -1.62 -0.02 0.00 0.51 0.00 0.00 43.02 41.89 3ikc s PHE 67 CO 0.00 0.47 -0.12 0.99 0.70 0.00 0.00 175.22 177.26 3ikc s THR 68 N -1.19 0.96 -0.06 0.64 2.01 0.91 -4.83 115.64 114.08 3ikc s THR 68 Ca 0.22 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.33 3ikc s THR 68 Cb -0.12 -0.88 -0.02 0.00 0.01 0.00 0.00 72.50 71.49 3ikc s THR 68 CO 0.14 -0.04 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.25 3ikc s ILE 69 N -0.85 2.92 0.19 1.82 1.01 -1.26 0.32 121.20 125.34 3ikc s ILE 69 Ca -0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 3ikc s ILE 69 Cb -0.08 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 3ikc s ILE 69 CO 0.01 0.58 0.21 -0.94 0.00 0.00 0.00 174.94 174.80 3ikc s SER 70 N -0.57 0.11 -0.10 3.58 1.04 -1.21 -5.00 113.70 111.54 3ikc s SER 70 Ca 0.08 -1.15 -0.07 0.00 0.48 0.00 0.00 55.95 55.29 3ikc s SER 70 Cb -0.11 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.46 3ikc s SER 70 CO 0.01 -0.89 0.26 0.00 0.98 0.00 0.00 173.24 173.60 3ikc s ARG 71 N -4.07 0.25 -0.55 4.02 1.70 -1.26 -0.54 118.95 118.50 3ikc s ARG 71 Ca 0.28 0.47 -0.20 0.00 -0.47 0.00 0.00 55.73 55.82 3ikc s ARG 71 Cb 0.05 -0.01 0.07 0.00 -0.57 0.00 0.00 34.95 34.49 3ikc s ARG 71 CO 0.07 -0.11 0.70 0.34 -1.08 0.00 0.00 175.30 175.21 3ikc s ASP 72 N 0.83 6.21 0.25 -2.89 -1.08 -0.27 -4.93 116.67 114.79 3ikc s ASP 72 Ca -0.06 -1.07 0.25 0.00 -0.52 0.00 0.00 52.55 51.15 3ikc s ASP 72 Cb -0.07 -2.31 0.89 0.00 -1.46 0.00 0.00 42.92 39.97 3ikc s ASP 72 CO -0.05 -1.03 1.75 0.78 0.52 0.00 0.00 175.17 177.13 3ikc h ASN 73 N 9.13 0.00 0.22 -0.34 -0.26 -1.97 0.18 115.58 122.53 3ikc h ASN 73 Ca -0.28 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.46 3ikc h ASN 73 Cb 1.09 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.35 3ikc h ASN 73 CO 1.04 0.00 -0.42 -1.54 -1.06 0.00 0.00 177.43 175.45 3ikc n SER 74 N -2.30 1.11 0.00 5.81 3.41 -1.26 -4.03 113.62 116.36 3ikc n SER 74 Ca 0.04 -0.89 0.00 0.00 -0.26 0.00 0.00 58.87 57.76 3ikc n SER 74 Cb 0.34 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 3ikc n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ikc n GLN 75 N -0.78 4.72 -3.31 4.33 6.02 -1.05 -5.02 117.38 122.29 3ikc n GLN 75 Ca 0.10 -0.11 -0.18 0.00 -0.01 0.00 0.00 57.00 56.80 3ikc n GLN 75 Cb 0.37 -0.58 0.06 0.00 1.02 0.00 0.00 30.24 31.11 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 -0.71 -4.85 -4.49 1.08 7.64 -0.01 -4.77 113.62 107.51 3ikc n SER 76 Ca 0.00 -0.43 -0.33 0.00 1.01 0.00 0.00 58.87 59.12 3ikc n SER 76 Cb 0.00 -4.01 -0.13 0.00 -1.01 0.00 0.00 64.21 59.06 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 -3.25 3.23 -0.01 0.44 1.01 -0.83 -2.30 121.20 119.49 3ikc s ILE 77 Ca 0.38 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 60.36 3ikc s ILE 77 Cb -0.17 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 3ikc s ILE 77 CO 0.56 0.58 0.14 -0.22 0.00 0.00 0.00 174.94 176.01 3ikc s LEU 78 N -0.59 4.20 0.19 2.97 2.96 0.54 -1.11 118.68 127.83 3ikc s LEU 78 Ca 0.09 0.28 0.08 0.00 -0.22 0.00 0.00 54.13 54.35 3ikc s LEU 78 Cb -0.11 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 3ikc s LEU 78 CO 0.01 0.27 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.83 3ikc s TYR 79 N -1.27 1.81 -0.17 5.38 2.02 0.30 0.10 117.35 125.52 3ikc s TYR 79 Ca 0.25 -0.50 -0.04 0.00 -0.37 0.00 0.00 57.07 56.42 3ikc s TYR 79 Cb -0.12 -0.87 0.06 0.00 -0.40 0.00 0.00 41.96 40.62 3ikc s TYR 79 CO 0.17 0.36 0.06 -1.17 -1.57 0.00 0.00 175.55 173.40 3ikc s LEU 80 N -2.94 0.70 -0.25 -1.29 2.96 -0.40 -3.35 118.68 114.11 3ikc s LEU 80 Ca 0.19 -0.64 -0.19 0.00 -0.22 0.00 0.00 54.13 53.27 3ikc s LEU 80 Cb -0.04 -0.40 -0.03 0.00 0.50 0.00 0.00 46.19 46.23 3ikc s LEU 80 CO 0.07 -0.32 0.55 -1.58 -1.32 0.00 0.00 176.35 173.75 3ikc s GLN 81 N 2.01 4.10 -0.11 1.98 2.00 0.15 -0.53 119.66 129.27 3ikc s GLN 81 Ca 0.01 0.40 0.00 0.00 -2.00 0.00 0.00 55.36 53.77 3ikc s GLN 81 Cb -0.16 -3.64 -0.02 0.00 0.80 0.00 0.00 33.01 29.99 3ikc s GLN 81 CO -0.08 -0.34 -0.12 -1.64 -0.50 0.00 0.00 175.29 172.61 3ikc s MET 82 N 2.26 3.17 0.25 1.67 -1.94 0.36 -0.06 119.30 125.00 3ikc s MET 82 Ca 0.23 -0.67 0.11 0.00 -1.71 0.00 0.00 55.69 53.65 3ikc s MET 82 Cb -0.16 -2.59 -0.05 0.00 2.01 0.00 0.00 34.83 34.04 3ikc s MET 82 CO 0.09 0.34 -0.19 -0.80 -0.01 0.00 0.00 175.02 174.45 3ikc s ASN 82 N 0.03 3.27 -1.17 3.03 0.01 -0.80 -1.41 114.94 117.90 3ikc s ASN 82 Ca -0.04 -1.00 -0.30 0.00 -0.71 0.00 0.00 52.86 50.82 3ikc s ASN 82 Cb -0.14 -0.25 0.03 0.00 0.41 0.00 0.00 41.25 41.30 3ikc s ASN 82 CO 0.04 -0.00 0.71 0.41 -1.51 0.00 0.00 177.10 176.74 3ikc n THR 82 N -0.40 -3.60 -2.50 1.60 -1.04 -1.17 -4.83 114.28 102.35 3ikc n THR 82 Ca -0.07 -0.66 -0.41 0.00 -2.04 0.00 0.00 64.05 60.87 3ikc n THR 82 Cb 0.59 -2.87 -0.04 0.00 -1.82 0.00 0.00 70.33 66.19 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 -7.07 4.46 0.37 -4.42 1.43 -1.06 -4.65 118.68 107.74 3ikc s LEU 82 Ca 0.46 2.06 0.08 0.00 -1.03 0.00 0.00 54.13 55.71 3ikc s LEU 82 Cb -0.23 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 3ikc s LEU 82 CO 0.94 -0.28 0.24 -0.13 0.23 0.00 0.00 176.35 177.35 3ikc s ARG 83 N -0.03 2.46 0.56 1.70 3.00 -1.26 0.06 118.95 125.43 3ikc s ARG 83 Ca 0.51 -1.55 0.24 0.00 0.00 0.00 0.00 55.73 54.94 3ikc s ARG 83 Cb -0.29 -2.25 1.60 0.00 0.00 0.00 0.00 34.95 34.00 3ikc s ARG 83 CO 0.34 -0.01 2.21 0.00 0.00 0.00 0.00 175.30 177.83 3ikc h ALA 84 N 1.33 1.69 0.00 2.13 0.00 -1.97 -0.51 119.26 121.92 3ikc h ALA 84 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3ikc h ALA 84 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3ikc h ALA 84 CO 0.62 0.01 0.00 0.39 0.00 0.00 0.00 179.25 180.27 3ikc n GLU 85 N -4.09 0.11 0.00 0.00 4.71 -1.26 -1.64 120.64 118.46 3ikc n GLU 85 Ca -0.03 0.10 0.14 0.00 -0.01 0.00 0.00 57.16 57.36 3ikc n GLU 85 Cb 0.09 -1.50 0.66 0.00 -1.01 0.00 0.00 31.44 29.69 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 -1.43 0.16 -4.64 1.62 10.43 -0.20 -4.82 116.55 117.68 3ikc n ASP 86 Ca 0.07 -0.16 -0.42 0.00 2.57 0.00 0.00 54.79 56.85 3ikc n ASP 86 Cb 0.24 -0.23 -0.03 0.00 1.84 0.00 0.00 41.12 42.94 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 -2.65 6.20 -0.12 -2.24 0.01 -0.65 -4.85 113.70 109.41 3ikc s SER 87 Ca 0.25 2.27 -0.33 0.00 1.31 0.00 0.00 55.95 59.45 3ikc s SER 87 Cb 0.20 -2.53 0.13 0.00 0.21 0.00 0.00 66.02 64.03 3ikc s SER 87 CO 0.49 -1.31 1.24 0.00 0.41 0.00 0.00 173.24 174.08 3ikc s ALA 88 N 5.52 -2.14 0.07 1.44 0.00 0.77 -4.34 121.76 123.09 3ikc s ALA 88 Ca 0.87 1.22 -0.28 0.00 0.00 0.00 0.00 51.96 53.77 3ikc s ALA 88 Cb -0.37 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.79 3ikc s ALA 88 CO 0.37 -0.79 0.88 0.99 0.00 0.00 0.00 175.76 177.21 3ikc s THR 89 N -2.43 4.63 -0.23 0.00 2.01 -0.22 -0.13 115.64 119.28 3ikc s THR 89 Ca 0.11 1.89 -0.04 0.00 0.31 0.00 0.00 61.69 63.97 3ikc s THR 89 Cb 0.01 -4.24 -0.00 0.00 0.01 0.00 0.00 72.50 68.28 3ikc s THR 89 CO -0.04 0.32 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.86 3ikc s TYR 90 N 0.09 2.98 -0.17 4.92 1.51 0.04 -0.15 117.35 126.56 3ikc s TYR 90 Ca 0.44 -1.00 -0.07 0.00 -1.01 0.00 0.00 57.07 55.43 3ikc s TYR 90 Cb -0.22 -2.11 -0.04 0.00 -0.11 0.00 0.00 41.96 39.48 3ikc s TYR 90 CO 0.27 -0.57 0.05 0.71 -1.11 0.00 0.00 175.55 174.90 3ikc s TYR 91 N 1.47 3.23 0.30 2.71 2.02 0.41 -2.50 117.35 124.99 3ikc s TYR 91 Ca 0.05 0.05 -0.10 0.00 -0.37 0.00 0.00 57.07 56.71 3ikc s TYR 91 Cb -0.15 -2.04 -0.07 0.00 -0.40 0.00 0.00 41.96 39.30 3ikc s TYR 91 CO -0.03 0.17 0.63 0.00 -1.57 0.00 0.00 175.55 174.75 3ikc s ALA 93 N -2.03 -1.07 -0.09 0.00 0.00 0.45 -2.39 121.76 116.62 3ikc s ALA 93 Ca 0.49 1.27 -0.30 0.00 0.00 0.00 0.00 51.96 53.42 3ikc s ALA 93 Cb -0.11 -0.75 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 3ikc s ALA 93 CO 0.25 -0.21 1.55 0.50 0.00 0.00 0.00 175.76 177.84 3ikc s ARG 94 N 0.40 4.17 0.00 0.00 3.52 -0.77 -0.98 118.95 125.30 3ikc s ARG 94 Ca -0.01 2.02 0.00 0.00 -0.13 0.00 0.00 55.73 57.60 3ikc s ARG 94 Cb -0.04 -3.93 0.00 0.00 -1.56 0.00 0.00 34.95 29.42 3ikc s ARG 94 CO -0.01 -0.84 0.00 -3.47 -0.81 0.00 0.00 175.30 170.17 3ikc n ASP 95 N 7.08 0.00 -4.80 -2.12 4.64 0.10 -3.53 116.55 117.92 3ikc n ASP 95 Ca 0.16 0.00 -0.31 0.00 -1.38 0.00 0.00 54.79 53.27 3ikc n ASP 95 Cb 0.43 0.00 0.08 0.00 -1.04 0.00 0.00 41.12 40.59 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 1.05 3.52 -0.46 5.18 -4.36 -1.26 -4.49 121.20 120.38 3ikc s ILE 96 Ca 0.00 0.49 0.03 0.00 -0.26 0.00 0.00 60.65 60.91 3ikc s ILE 96 Cb 0.00 -3.16 0.15 0.00 1.25 0.00 0.00 42.46 40.70 3ikc s ILE 96 CO 0.00 -0.65 0.30 -0.94 0.24 0.00 0.00 174.94 173.89 3ikc s SER 97 N -3.70 3.20 0.01 4.36 1.04 -1.26 -0.47 113.70 116.89 3ikc s SER 97 Ca 0.60 -2.84 0.27 0.00 0.48 0.00 0.00 55.95 54.46 3ikc s SER 97 Cb -0.15 -0.89 0.91 0.00 0.10 0.00 0.00 66.02 65.99 3ikc s SER 97 CO 0.55 -0.22 1.71 -0.81 0.98 0.00 0.00 173.24 175.45 3ikc n PRO 98 N 3.22 0.02 -0.05 4.02 -0.05 -1.26 -4.07 135.00 136.84 3ikc n PRO 98 Ca 0.16 0.01 0.01 0.00 -0.05 0.00 0.00 63.50 63.63 3ikc n PRO 98 Cb 0.38 -1.52 -0.16 0.00 -0.05 0.00 0.00 33.50 32.15 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 -1.56 0.05 -3.68 3.54 7.64 -1.26 -4.97 113.62 113.37 3ikc n SER 99 Ca 0.06 0.02 -0.13 0.00 1.01 0.00 0.00 58.87 59.83 3ikc n SER 99 Cb 0.35 1.44 -0.09 0.00 -1.01 0.00 0.00 64.21 64.90 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 -3.01 -0.64 0.00 1.43 5.04 -1.26 -5.12 117.35 113.79 3ikc s TYR 100 Ca -0.09 1.53 0.00 0.00 -2.44 0.00 0.00 57.07 56.07 3ikc s TYR 100 Cb 0.10 0.23 0.00 0.00 0.35 0.00 0.00 41.96 42.64 3ikc s TYR 100 CO 0.87 -0.31 0.00 0.41 -1.34 0.00 0.00 175.55 175.18 3ikc n GLY 100 N 2.89 -0.34 2.73 8.97 0.00 -1.26 -4.91 105.19 113.28 3ikc n GLY 100 Ca -0.14 -1.06 -0.22 0.00 0.00 0.00 0.00 46.02 44.59 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 -4.99 118.33 114.00 3ikc n VAL 100 Ca 0.00 -0.54 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 3ikc n VAL 100 Cb 0.00 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 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 -3.82 0.00 -2.79 3.52 4.11 -1.26 -4.55 117.16 112.37 3ikc n TYR 100 Ca 0.12 0.00 -0.43 0.00 -0.00 0.00 0.00 57.90 57.59 3ikc n TYR 100 Cb 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.76 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 -2.68 3.81 -0.11 -3.48 0.41 -1.26 -4.71 118.70 110.68 3ikc s GLU 100 Ca 0.00 -1.91 -0.32 0.00 -0.41 0.00 0.00 54.97 52.33 3ikc s GLU 100 Cb 0.00 -5.17 0.12 0.00 -1.78 0.00 0.00 34.13 27.30 3ikc s GLU 100 CO 0.00 -1.95 1.06 0.20 -0.49 0.00 0.00 175.26 174.07 3ikc s GLY 100 N 3.79 -0.35 -0.78 -1.39 0.00 -1.26 -5.10 107.32 102.24 3ikc s GLY 100 Ca 0.42 1.46 -0.19 0.00 0.00 0.00 0.00 44.72 46.41 3ikc s GLY 100 CO -0.03 0.53 0.97 -1.36 0.00 0.00 0.00 173.10 173.21 3ikc s PHE 100 N -2.50 3.03 0.31 1.90 2.99 -1.26 -4.39 117.98 118.06 3ikc s PHE 100 Ca 0.06 -1.14 0.22 0.00 0.00 0.00 0.00 56.93 56.08 3ikc s PHE 100 Cb -0.01 -4.19 1.08 0.00 0.00 0.00 0.00 43.02 39.90 3ikc s PHE 100 CO -0.06 -1.45 1.92 0.00 -0.00 0.00 0.00 175.22 175.63 3ikc h ALA 101 N 9.01 1.21 -3.34 5.36 0.00 -1.87 -3.45 119.26 126.17 3ikc h ALA 101 Ca -0.05 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.46 3ikc h ALA 101 Cb 1.05 -0.04 -0.25 0.00 0.00 0.00 0.00 17.79 18.55 3ikc h ALA 101 CO 1.10 0.28 -0.63 0.71 0.00 0.00 0.00 179.25 180.72 3ikc s TYR 102 N -3.99 -0.00 0.19 0.00 2.02 -1.26 -5.06 117.35 109.24 3ikc s TYR 102 Ca -0.02 0.02 0.07 0.00 -0.37 0.00 0.00 57.07 56.78 3ikc s TYR 102 Cb 0.12 -0.02 -0.05 0.00 -0.40 0.00 0.00 41.96 41.62 3ikc s TYR 102 CO 0.64 -0.10 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.81 3ikc s TRP 103 N -0.42 1.58 0.87 2.71 0.52 -1.26 -1.85 118.94 121.09 3ikc s TRP 103 Ca -0.05 -0.62 -0.10 0.00 0.02 0.00 0.00 56.10 55.35 3ikc s TRP 103 Cb -0.03 -0.75 0.17 0.00 -1.15 0.00 0.00 33.47 31.70 3ikc s TRP 103 CO 0.00 0.28 1.20 0.20 0.02 0.00 0.00 176.95 178.64 3ikc s GLY 104 N -3.24 1.76 0.28 0.98 0.00 -1.01 -4.61 107.32 101.49 3ikc s GLY 104 Ca 0.20 -1.35 0.26 0.00 0.00 0.00 0.00 44.72 43.83 3ikc s GLY 104 CO 0.05 -0.67 1.75 0.06 0.00 0.00 0.00 173.10 174.29 3ikc h GLN 105 N -1.21 0.00 0.00 2.90 -0.00 -1.93 -3.47 115.11 111.41 3ikc h GLN 105 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.23 3ikc h GLN 105 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.73 3ikc h GLN 105 CO 0.41 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.65 3ikc n GLY 106 N 0.97 -2.51 3.41 0.06 0.00 -1.26 -5.02 105.19 100.85 3ikc n GLY 106 Ca 0.04 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.84 3.02 -0.08 2.61 -1.32 -1.04 -4.90 115.64 111.09 3ikc s THR 107 Ca 0.00 -0.70 -0.29 0.00 -1.21 0.00 0.00 61.69 59.49 3ikc s THR 107 Cb 0.00 -2.23 -0.02 0.00 -1.51 0.00 0.00 72.50 68.74 3ikc s THR 107 CO 0.00 0.55 0.97 -0.22 -2.21 0.00 0.00 174.62 173.71 3ikc s LEU 108 N -0.08 4.27 -0.19 9.08 2.96 -1.26 -0.78 118.68 132.68 3ikc s LEU 108 Ca -0.02 1.51 -0.03 0.00 -0.22 0.00 0.00 54.13 55.37 3ikc s LEU 108 Cb -0.14 -3.51 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 3ikc s LEU 108 CO 0.04 -0.38 -0.07 -0.69 -1.32 0.00 0.00 176.35 173.92 3ikc s VAL 109 N 1.72 3.29 -0.16 1.68 1.01 0.81 -0.89 120.40 127.86 3ikc s VAL 109 Ca 0.48 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3ikc s VAL 109 Cb -0.19 -2.46 0.03 0.00 0.00 0.00 0.00 36.38 33.77 3ikc s VAL 109 CO 0.20 0.46 -0.13 0.28 0.00 0.00 0.00 175.10 175.92 3ikc s THR 110 N 1.02 1.57 -0.40 3.92 -1.32 -0.52 -0.16 115.64 119.76 3ikc s THR 110 Ca -0.00 -0.73 -0.18 0.00 -1.21 0.00 0.00 61.69 59.56 3ikc s THR 110 Cb -0.15 -1.53 0.01 0.00 -1.51 0.00 0.00 72.50 69.32 3ikc s THR 110 CO -0.01 0.37 0.50 -0.69 -2.21 0.00 0.00 174.62 172.59 3ikc s VAL 111 N 1.47 5.01 -0.13 5.08 1.01 -1.26 -2.12 120.40 129.45 3ikc s VAL 111 Ca 0.03 0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.83 3ikc s VAL 111 Cb -0.14 -4.04 0.05 0.00 0.00 0.00 0.00 36.38 32.25 3ikc s VAL 111 CO -0.10 -0.38 0.49 -0.55 0.00 0.00 0.00 175.10 174.57 3ikc s SER 112 N 1.84 -0.47 0.00 3.32 0.15 -0.58 -4.49 113.70 113.46 3ikc s SER 112 Ca 0.17 0.76 0.18 0.00 0.70 0.00 0.00 55.95 57.76 3ikc s SER 112 Cb -0.16 0.79 1.02 0.00 -1.71 0.00 0.00 66.02 65.97 3ikc s SER 112 CO 0.15 -0.31 1.53 0.00 1.20 0.00 0.00 173.24 175.81 3ikc n ALA 113 N 2.16 2.09 -1.00 5.45 0.00 -1.26 -4.08 120.51 123.86 3ikc n ALA 113 Ca -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3ikc n ALA 113 Cb 0.56 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.14 0.00 -2.39 0.00 0.00 -1.26 -5.05 120.51 110.67 3ikc n ALA 114 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.27 3ikc n ALA 114 Cb 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.87 2.22 0.04 0.00 2.01 -1.26 -4.99 115.64 112.78 3ikc s THR 115 Ca 0.00 -1.70 -0.30 0.00 0.31 0.00 0.00 61.69 59.99 3ikc s THR 115 Cb 0.00 -1.96 -0.06 0.00 0.01 0.00 0.00 72.50 70.49 3ikc s THR 115 CO 0.00 0.12 1.33 -0.89 -0.69 0.00 0.00 174.62 174.49 3ikc s THR 116 N -1.03 3.74 -0.02 -0.82 2.01 -1.26 -4.71 115.64 113.55 3ikc s THR 116 Ca 0.13 1.19 0.02 0.00 0.31 0.00 0.00 61.69 63.35 3ikc s THR 116 Cb -0.10 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.65 3ikc s THR 116 CO 0.05 0.04 -0.09 0.42 -0.69 0.00 0.00 174.62 174.36 3ikc s THR 117 N 1.76 0.76 0.48 -0.82 -4.23 0.43 -4.97 115.64 109.04 3ikc s THR 117 Ca 0.62 -0.35 -0.19 0.00 -1.18 0.00 0.00 61.69 60.59 3ikc s THR 117 Cb -0.32 -0.67 -0.09 0.00 1.34 0.00 0.00 72.50 72.76 3ikc s THR 117 CO 0.27 0.24 0.97 0.00 -0.54 0.00 0.00 174.62 175.56 3ikc s ALA 118 N 0.15 3.04 0.42 3.99 0.00 -1.26 -1.36 121.76 126.74 3ikc s ALA 118 Ca -0.02 0.30 -0.23 0.00 0.00 0.00 0.00 51.96 52.01 3ikc s ALA 118 Cb -0.08 -3.14 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 3ikc s ALA 118 CO 0.00 -0.08 1.05 -1.25 0.00 0.00 0.00 175.76 175.48 3ikc s PRO 119 N -3.63 4.08 0.11 0.00 0.04 -1.26 -4.48 135.00 129.86 3ikc s PRO 119 Ca 0.61 1.48 -0.12 0.00 0.04 0.00 0.00 61.00 63.01 3ikc s PRO 119 Cb -0.10 -2.44 -0.06 0.00 0.04 0.00 0.00 34.50 31.94 3ikc s PRO 119 CO 0.23 -0.21 0.46 -1.12 0.04 0.00 0.00 177.00 176.40 3ikc s SER 120 N -1.66 6.72 -0.12 6.66 0.01 0.22 -4.92 113.70 120.61 3ikc s SER 120 Ca 0.60 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.77 3ikc s SER 120 Cb -0.21 -2.22 0.02 0.00 0.21 0.00 0.00 66.02 63.82 3ikc s SER 120 CO 0.26 0.14 -0.11 -0.69 0.41 0.00 0.00 173.24 173.25 3ikc s VAL 121 N -1.42 1.27 0.21 3.43 1.01 -1.26 -0.95 120.40 122.67 3ikc s VAL 121 Ca 0.35 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.95 3ikc s VAL 121 Cb -0.14 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 3ikc s VAL 121 CO 0.18 0.40 -0.02 -0.31 0.00 0.00 0.00 175.10 175.36 3ikc s TYR 122 N 1.45 2.76 0.38 5.22 2.02 0.03 -4.95 117.35 124.27 3ikc s TYR 122 Ca 0.02 -0.18 -0.20 0.00 -0.37 0.00 0.00 57.07 56.34 3ikc s TYR 122 Cb -0.13 -1.30 -0.10 0.00 -0.40 0.00 0.00 41.96 40.02 3ikc s TYR 122 CO -0.07 0.55 0.89 -1.25 -1.57 0.00 0.00 175.55 174.09 3ikc s PRO 123 N -3.16 4.21 -0.35 -1.71 0.05 -1.26 -0.17 135.00 132.61 3ikc s PRO 123 Ca 0.28 1.02 0.00 0.00 0.05 0.00 0.00 61.00 62.36 3ikc s PRO 123 Cb -0.08 -2.34 0.09 0.00 0.05 0.00 0.00 34.50 32.22 3ikc s PRO 123 CO 0.18 0.07 0.07 -0.51 0.05 0.00 0.00 177.00 176.87 3ikc s LEU 124 N -2.96 4.59 0.05 -3.56 1.43 0.18 -4.71 118.68 113.71 3ikc s LEU 124 Ca 0.58 -1.83 0.03 0.00 -1.03 0.00 0.00 54.13 51.89 3ikc s LEU 124 Cb -0.11 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 3ikc s LEU 124 CO 0.16 -0.39 -0.10 0.68 0.23 0.00 0.00 176.35 176.92 3ikc s VAL 125 N 1.09 0.78 0.57 -1.59 -7.23 -1.26 -1.67 120.40 111.09 3ikc s VAL 125 Ca 0.04 -1.12 -0.18 0.00 -1.81 0.00 0.00 61.98 58.91 3ikc s VAL 125 Cb -0.21 -0.80 -0.07 0.00 0.56 0.00 0.00 36.38 35.87 3ikc s VAL 125 CO -0.05 -0.28 0.70 -2.65 -0.31 0.00 0.00 175.10 172.51 3ikc n PRO 126 N 1.49 0.67 0.00 4.82 -0.02 -1.26 -4.96 135.00 135.74 3ikc n PRO 126 Ca -0.21 0.26 0.13 0.00 -2.02 0.00 0.00 63.50 61.66 3ikc n PRO 126 Cb 0.55 -1.87 0.48 0.00 -0.02 0.00 0.00 33.50 32.63 3ikc n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ikc n GLY 127 N 1.59 -1.21 0.00 -1.23 0.00 -1.26 -4.54 105.19 98.53 3ikc n GLY 127 Ca 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3ikc n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ikc n GLY 133 N 1.43 0.20 0.09 -0.02 0.00 -1.26 -4.99 105.19 100.64 3ikc n GLY 133 Ca 0.09 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 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 0.12 -2.04 1.61 4.64 -2.00 -3.45 113.55 112.43 3ikc h SER 134 Ca 0.00 -0.21 -0.59 0.00 -0.47 0.00 0.00 61.79 60.52 3ikc h SER 134 Cb 0.00 -0.04 -0.13 0.00 -0.31 0.00 0.00 62.40 61.92 3ikc h SER 134 CO 0.00 1.18 -0.56 -0.94 -0.87 0.00 0.00 176.83 175.65 3ikc s SER 135 N -6.46 3.32 -0.05 4.97 1.04 -1.26 -1.90 113.70 113.36 3ikc s SER 135 Ca -0.07 -1.52 -0.11 0.00 0.48 0.00 0.00 55.95 54.73 3ikc s SER 135 Cb 0.08 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.37 3ikc s SER 135 CO 0.82 -0.72 0.26 0.54 0.98 0.00 0.00 173.24 175.13 3ikc s VAL 136 N -3.02 0.04 -0.29 5.02 0.11 0.33 -4.67 120.40 117.91 3ikc s VAL 136 Ca 0.24 -0.33 -0.05 0.00 -2.93 0.00 0.00 61.98 58.92 3ikc s VAL 136 Cb 0.06 -0.49 0.03 0.00 -1.53 0.00 0.00 36.38 34.44 3ikc s VAL 136 CO 0.12 -0.18 0.04 -0.89 -3.33 0.00 0.00 175.10 170.86 3ikc s THR 137 N -0.74 3.52 0.52 5.04 2.01 -1.26 -1.35 115.64 123.38 3ikc s THR 137 Ca -0.08 -0.97 0.07 0.00 0.31 0.00 0.00 61.69 61.03 3ikc s THR 137 Cb -0.04 -2.88 0.04 0.00 0.01 0.00 0.00 72.50 69.63 3ikc s THR 137 CO 0.02 0.03 0.53 -0.76 -0.69 0.00 0.00 174.62 173.75 3ikc s LEU 138 N 1.40 3.03 0.02 4.42 1.43 -0.20 -4.71 118.68 124.08 3ikc s LEU 138 Ca -0.00 -0.96 -0.29 0.00 -1.03 0.00 0.00 54.13 51.85 3ikc s LEU 138 Cb -0.18 -1.60 0.11 0.00 0.03 0.00 0.00 46.19 44.55 3ikc s LEU 138 CO 0.00 -1.07 1.21 -0.83 0.23 0.00 0.00 176.35 175.90 3ikc s GLY 139 N -4.38 -0.35 -0.06 -3.19 0.00 -0.67 -1.44 107.32 97.23 3ikc s GLY 139 Ca 0.47 0.52 0.06 0.00 0.00 0.00 0.00 44.72 45.76 3ikc s GLY 139 CO 0.29 0.41 -0.24 0.00 0.00 0.00 0.00 173.10 173.56 3ikc s LEU 141 N -0.08 4.62 -0.27 0.00 2.96 0.75 -1.73 118.68 124.94 3ikc s LEU 141 Ca -0.06 -0.40 -0.10 0.00 -0.22 0.00 0.00 54.13 53.35 3ikc s LEU 141 Cb -0.14 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 3ikc s LEU 141 CO 0.04 -0.53 0.15 -0.69 -1.32 0.00 0.00 176.35 174.00 3ikc s VAL 142 N 2.25 5.02 0.13 1.68 1.01 0.38 -0.79 120.40 130.08 3ikc s VAL 142 Ca 0.15 0.07 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 3ikc s VAL 142 Cb -0.16 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 3ikc s VAL 142 CO 0.14 0.29 0.21 -1.59 0.00 0.00 0.00 175.10 174.15 3ikc s LYS 143 N 1.64 1.00 -0.24 2.72 -2.85 -0.13 -0.46 119.74 121.42 3ikc s LYS 143 Ca 0.07 -1.13 0.00 0.00 -1.00 0.00 0.00 55.97 53.91 3ikc s LYS 143 Cb -0.16 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 3ikc s LYS 143 CO 0.08 -0.34 0.00 0.41 0.10 0.00 0.00 175.35 175.60 3ikc n GLY 144 N -0.14 0.56 3.96 0.59 0.00 -0.05 -0.61 105.19 109.50 3ikc n GLY 144 Ca -0.10 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.09 3.36 -0.29 1.61 1.13 -1.00 -4.59 117.35 115.47 3ikc s TYR 145 Ca 0.00 -0.06 -0.19 0.00 -1.41 0.00 0.00 57.07 55.41 3ikc s TYR 145 Cb 0.00 -1.62 0.15 0.00 -1.10 0.00 0.00 41.96 39.40 3ikc s TYR 145 CO 0.00 0.38 1.07 0.12 -2.51 0.00 0.00 175.55 174.61 3ikc s PHE 146 N -2.03 -0.43 0.00 -3.49 5.36 -0.46 -0.42 117.98 116.50 3ikc s PHE 146 Ca 0.36 0.91 0.00 0.00 -0.96 0.00 0.00 56.93 57.23 3ikc s PHE 146 Cb -0.09 0.32 0.00 0.00 -0.34 0.00 0.00 43.02 42.91 3ikc s PHE 146 CO 0.29 -0.21 0.00 -0.35 -1.46 0.00 0.00 175.22 173.49 3ikc n PRO 147 N 3.11 1.99 -1.79 10.12 -0.04 -1.26 -0.43 135.00 146.70 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 0.57 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.09 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 1.19 2.59 0.41 0.54 2.02 -1.26 -4.76 118.70 119.43 3ikc s GLU 148 Ca 0.00 0.49 0.08 0.00 0.02 0.00 0.00 54.97 55.56 3ikc s GLU 148 Cb 0.00 -1.99 -0.02 0.00 0.10 0.00 0.00 34.13 32.22 3ikc s GLU 148 CO 0.00 -1.23 0.39 -1.25 0.02 0.00 0.00 175.26 173.19 3ikc s PRO 149 N -5.31 2.57 0.04 0.39 0.05 -1.26 -4.89 135.00 126.58 3ikc s PRO 149 Ca 0.59 -1.50 0.05 0.00 0.05 0.00 0.00 61.00 60.19 3ikc s PRO 149 Cb -0.12 -2.41 -0.03 0.00 0.05 0.00 0.00 34.50 31.98 3ikc s PRO 149 CO 0.52 -0.19 -0.11 0.14 0.05 0.00 0.00 177.00 177.42 3ikc s VAL 150 N -2.46 3.32 -0.07 -0.36 -7.23 -1.26 -4.22 120.40 108.13 3ikc s VAL 150 Ca 0.48 -1.01 0.02 0.00 -1.81 0.00 0.00 61.98 59.66 3ikc s VAL 150 Cb -0.04 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 3ikc s VAL 150 CO 0.28 0.31 -0.12 0.42 -0.31 0.00 0.00 175.10 175.69 3ikc s THR 151 N -1.02 3.26 -0.07 5.32 -4.23 -0.26 -4.95 115.64 113.68 3ikc s THR 151 Ca 0.17 -0.64 0.05 0.00 -1.18 0.00 0.00 61.69 60.10 3ikc s THR 151 Cb -0.11 -2.31 -0.01 0.00 1.34 0.00 0.00 72.50 71.41 3ikc s THR 151 CO 0.08 0.58 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.83 3ikc s VAL 152 N -0.55 2.25 0.30 2.29 1.01 -1.25 -1.09 120.40 123.35 3ikc s VAL 152 Ca 0.08 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.09 3ikc s VAL 152 Cb -0.12 -1.84 -0.06 0.00 0.00 0.00 0.00 36.38 34.37 3ikc s VAL 152 CO 0.02 0.57 0.07 -0.54 0.00 0.00 0.00 175.10 175.22 3ikc s LYS 153 N -0.14 1.55 -0.06 2.72 1.02 0.84 -4.93 119.74 120.73 3ikc s LYS 153 Ca -0.04 -1.85 0.02 0.00 0.02 0.00 0.00 55.97 54.13 3ikc s LYS 153 Cb -0.14 -0.62 0.01 0.00 -0.52 0.00 0.00 37.83 36.57 3ikc s LYS 153 CO 0.04 -0.23 -0.13 -1.58 -0.92 0.00 0.00 175.35 172.53 3ikc s TRP 154 N -3.49 1.48 -1.44 3.18 0.52 -1.26 0.11 118.94 118.05 3ikc s TRP 154 Ca 0.37 -0.53 -0.02 0.00 0.02 0.00 0.00 56.10 55.94 3ikc s TRP 154 Cb 0.08 -1.07 0.00 0.00 -1.15 0.00 0.00 33.47 31.33 3ikc s TRP 154 CO 0.15 -0.27 0.28 0.09 0.02 0.00 0.00 176.95 177.23 3ikc n ASN 155 N 3.74 -0.12 -2.01 2.95 3.02 0.14 -1.00 115.26 121.98 3ikc n ASN 155 Ca -0.22 -1.12 -0.20 0.00 -0.03 0.00 0.00 54.58 53.01 3ikc n ASN 155 Cb 0.52 -2.48 -0.04 0.00 -0.61 0.00 0.00 39.78 37.17 3ikc n ASN 155 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3ikc n TYR 156 N -4.49 -0.58 -0.28 3.10 4.02 -1.26 -1.27 117.16 116.41 3ikc n TYR 156 Ca -0.31 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.58 3ikc n TYR 156 Cb 0.68 -3.69 0.00 0.00 -0.02 0.00 0.00 39.34 36.31 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 -0.81 0.68 0.19 2.72 0.00 -0.17 -4.94 105.19 102.86 3ikc n GLY 157 Ca -0.23 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 0.42 -1.65 4.61 0.00 -0.62 -3.38 119.26 118.63 3ikc h ALA 158 Ca 0.00 -0.29 -0.63 0.00 0.00 0.00 0.00 54.91 53.99 3ikc h ALA 158 Cb 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 17.54 3ikc h ALA 158 CO 0.00 0.26 0.60 -0.51 0.00 0.00 0.00 179.25 179.60 3ikc s LEU 159 N -9.28 4.37 -0.09 0.00 1.43 -0.62 -4.81 118.68 109.67 3ikc s LEU 159 Ca -0.13 -1.05 -0.03 0.00 -1.03 0.00 0.00 54.13 51.88 3ikc s LEU 159 Cb 0.08 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 3ikc s LEU 159 CO 0.78 -1.43 -0.11 -1.54 0.23 0.00 0.00 176.35 174.28 3ikc n SER 160 N 7.72 1.31 -4.71 2.29 3.41 -1.26 -4.10 113.62 118.27 3ikc n SER 160 Ca -0.01 0.08 -0.42 0.00 -0.26 0.00 0.00 58.87 58.26 3ikc n SER 160 Cb 0.46 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 3ikc n SER 160 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3ikc s SER 161 N -5.63 6.83 0.00 4.04 1.04 -1.26 -2.31 113.70 116.41 3ikc s SER 161 Ca -0.13 2.30 0.00 0.00 0.48 0.00 0.00 55.95 58.59 3ikc s SER 161 Cb 0.05 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.58 3ikc s SER 161 CO 0.18 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.34 3ikc n GLY 162 N 3.52 0.56 3.76 7.32 0.00 -1.26 -4.81 105.19 114.28 3ikc n GLY 162 Ca 0.12 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.00 5.25 -0.17 1.61 1.01 -0.98 -3.03 120.40 122.10 3ikc s VAL 163 Ca 0.00 0.65 -0.01 0.00 0.00 0.00 0.00 61.98 62.62 3ikc s VAL 163 Cb 0.00 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.76 3ikc s VAL 163 CO 0.00 0.43 -0.02 -0.13 0.00 0.00 0.00 175.10 175.38 3ikc s ARG 164 N 0.11 1.07 -0.20 2.72 1.81 0.19 -4.98 118.95 119.67 3ikc s ARG 164 Ca 0.19 -0.44 0.01 0.00 -1.72 0.00 0.00 55.73 53.78 3ikc s ARG 164 Cb -0.14 -1.95 0.04 0.00 -0.45 0.00 0.00 34.95 32.45 3ikc s ARG 164 CO 0.07 -0.50 -0.13 0.99 -0.68 0.00 0.00 175.30 175.04 3ikc s THR 165 N 1.73 1.85 0.72 0.02 2.01 -1.26 0.45 115.64 121.16 3ikc s THR 165 Ca 0.00 -1.08 -0.11 0.00 0.31 0.00 0.00 61.69 60.81 3ikc s THR 165 Cb -0.16 -1.84 0.02 0.00 0.01 0.00 0.00 72.50 70.53 3ikc s THR 165 CO -0.07 0.25 1.07 0.68 -0.69 0.00 0.00 174.62 175.86 3ikc s VAL 166 N 1.32 3.79 0.62 3.82 -7.23 -0.95 -5.00 120.40 116.77 3ikc s VAL 166 Ca -0.01 0.58 -0.17 0.00 -1.81 0.00 0.00 61.98 60.57 3ikc s VAL 166 Cb -0.16 -3.34 -0.02 0.00 0.56 0.00 0.00 36.38 33.42 3ikc s VAL 166 CO -0.09 -0.76 1.17 -0.94 -0.31 0.00 0.00 175.10 174.17 3ikc s SER 167 N -3.86 5.08 1.00 4.85 1.04 -1.26 -4.61 113.70 115.94 3ikc s SER 167 Ca 0.59 2.26 -0.12 0.00 0.48 0.00 0.00 55.95 59.16 3ikc s SER 167 Cb -0.14 -2.58 0.19 0.00 0.10 0.00 0.00 66.02 63.59 3ikc s SER 167 CO 0.55 -1.66 1.08 -0.94 0.98 0.00 0.00 173.24 173.25 3ikc s SER 168 N -1.93 2.47 -0.03 7.02 1.04 -1.26 -4.81 113.70 116.19 3ikc s SER 168 Ca 0.74 1.62 0.01 0.00 0.48 0.00 0.00 55.95 58.80 3ikc s SER 168 Cb -0.27 -2.28 0.02 0.00 0.10 0.00 0.00 66.02 63.60 3ikc s SER 168 CO 0.36 -3.29 -0.02 0.68 0.98 0.00 0.00 173.24 171.95 3ikc s VAL 169 N -2.72 0.33 -0.25 5.02 -7.23 -0.50 -4.95 120.40 110.09 3ikc s VAL 169 Ca 0.66 -0.02 -0.22 0.00 -1.81 0.00 0.00 61.98 60.59 3ikc s VAL 169 Cb -0.21 -0.38 -0.01 0.00 0.56 0.00 0.00 36.38 36.33 3ikc s VAL 169 CO 0.60 0.17 0.73 -0.22 -0.31 0.00 0.00 175.10 176.07 3ikc s LEU 170 N 0.89 4.07 -0.01 1.32 2.96 -1.26 -2.67 118.68 123.98 3ikc s LEU 170 Ca -0.10 0.87 -0.01 0.00 -0.22 0.00 0.00 54.13 54.67 3ikc s LEU 170 Cb -0.13 -3.02 0.01 0.00 0.50 0.00 0.00 46.19 43.54 3ikc s LEU 170 CO -0.01 -0.44 0.03 -1.58 -1.32 0.00 0.00 176.35 173.02 3ikc s GLN 171 N 2.68 0.02 -1.61 1.98 0.74 -0.33 -4.88 119.66 118.25 3ikc s GLN 171 Ca 0.30 0.05 -0.17 0.00 0.05 0.00 0.00 55.36 55.60 3ikc s GLN 171 Cb -0.15 -0.02 0.13 0.00 1.10 0.00 0.00 33.01 34.07 3ikc s GLN 171 CO 0.08 -0.02 0.80 0.43 -0.55 0.00 0.00 175.29 176.03 3ikc n SER 172 N 3.20 -3.75 -0.56 6.67 7.64 -1.26 -1.12 113.62 124.44 3ikc n SER 172 Ca -0.14 -0.87 -0.07 0.00 1.01 0.00 0.00 58.87 58.79 3ikc n SER 172 Cb 0.59 -3.05 -0.03 0.00 -1.01 0.00 0.00 64.21 60.70 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 -1.43 0.92 3.17 0.23 0.00 -1.26 -5.01 105.19 101.82 3ikc n GLY 173 Ca 0.06 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.14 1.17 0.15 1.61 0.08 -0.27 -4.89 117.98 113.69 3ikc s PHE 174 Ca 0.00 -0.51 0.03 0.00 0.12 0.00 0.00 56.93 56.57 3ikc s PHE 174 Cb 0.00 -0.65 -0.04 0.00 -0.57 0.00 0.00 43.02 41.76 3ikc s PHE 174 CO 0.00 0.05 0.26 0.71 -0.10 0.00 0.00 175.22 176.13 3ikc s TYR 175 N -1.63 3.43 -0.08 0.36 2.02 0.44 -1.19 117.35 120.70 3ikc s TYR 175 Ca 0.00 0.10 -0.31 0.00 -0.37 0.00 0.00 57.07 56.49 3ikc s TYR 175 Cb -0.08 -1.64 0.08 0.00 -0.40 0.00 0.00 41.96 39.92 3ikc s TYR 175 CO 0.02 0.52 0.74 -1.54 -1.57 0.00 0.00 175.55 173.71 3ikc s SER 176 N -3.19 -0.61 0.19 2.29 1.04 -1.09 -0.87 113.70 111.46 3ikc s SER 176 Ca 0.34 0.69 -0.20 0.00 0.48 0.00 0.00 55.95 57.26 3ikc s SER 176 Cb -0.11 0.53 0.04 0.00 0.10 0.00 0.00 66.02 66.58 3ikc s SER 176 CO 0.28 -0.55 0.58 -1.48 0.98 0.00 0.00 173.24 173.04 3ikc s LEU 177 N -1.12 -0.21 0.06 2.42 0.05 0.39 -1.41 118.68 118.86 3ikc s LEU 177 Ca -0.09 -0.31 0.09 0.00 0.05 0.00 0.00 54.13 53.86 3ikc s LEU 177 Cb -0.00 2.40 -0.03 0.00 -2.05 0.00 0.00 46.19 46.51 3ikc s LEU 177 CO 0.08 -1.06 -0.24 -0.94 -0.55 0.00 0.00 176.35 173.64 3ikc s SER 178 N -2.83 2.86 -0.09 1.48 1.04 -1.26 -0.47 113.70 114.43 3ikc s SER 178 Ca 0.06 -0.59 0.04 0.00 0.48 0.00 0.00 55.95 55.93 3ikc s SER 178 Cb -0.02 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.87 3ikc s SER 178 CO -0.05 0.19 -0.21 -0.55 0.98 0.00 0.00 173.24 173.60 3ikc s SER 179 N -1.39 2.77 0.12 7.02 0.15 -0.70 -2.23 113.70 119.43 3ikc s SER 179 Ca 0.10 -0.49 0.07 0.00 0.70 0.00 0.00 55.95 56.32 3ikc s SER 179 Cb -0.10 -1.23 -0.04 0.00 -1.71 0.00 0.00 66.02 62.94 3ikc s SER 179 CO 0.03 0.13 -0.16 -0.76 1.20 0.00 0.00 173.24 173.68 3ikc s LEU 180 N 0.39 2.37 0.02 3.45 1.02 0.17 -1.34 118.68 124.76 3ikc s LEU 180 Ca -0.17 -0.77 -0.04 0.00 0.02 0.00 0.00 54.13 53.17 3ikc s LEU 180 Cb -0.17 -0.65 -0.01 0.00 0.02 0.00 0.00 46.19 45.38 3ikc s LEU 180 CO 0.07 -0.08 0.05 0.54 0.02 0.00 0.00 176.35 176.95 3ikc s VAL 181 N -1.84 0.11 -0.13 -1.59 0.11 -0.52 0.56 120.40 117.10 3ikc s VAL 181 Ca 0.08 -0.88 -0.00 0.00 -2.93 0.00 0.00 61.98 58.25 3ikc s VAL 181 Cb -0.07 -0.45 -0.02 0.00 -1.53 0.00 0.00 36.38 34.32 3ikc s VAL 181 CO 0.04 -0.48 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.31 3ikc s THR 182 N -1.66 3.15 0.12 5.04 2.01 -1.17 -1.04 115.64 122.10 3ikc s THR 182 Ca -0.13 -0.63 0.04 0.00 0.31 0.00 0.00 61.69 61.28 3ikc s THR 182 Cb -0.07 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 3ikc s THR 182 CO -0.01 0.52 -0.11 0.68 -0.69 0.00 0.00 174.62 175.02 3ikc s VAL 183 N 0.33 1.12 0.43 3.82 -7.23 -0.45 -4.92 120.40 113.50 3ikc s VAL 183 Ca -0.10 -1.84 -0.26 0.00 -1.81 0.00 0.00 61.98 57.97 3ikc s VAL 183 Cb -0.16 -1.60 -0.09 0.00 0.56 0.00 0.00 36.38 35.09 3ikc s VAL 183 CO 0.05 -0.61 1.43 -2.65 -0.31 0.00 0.00 175.10 173.01 3ikc n PRO 184 N 0.23 2.31 0.00 4.82 -0.02 -1.26 -0.51 135.00 140.57 3ikc n PRO 184 Ca -0.13 0.82 0.08 0.00 -2.02 0.00 0.00 63.50 62.25 3ikc n PRO 184 Cb 0.59 -2.61 0.45 0.00 -0.02 0.00 0.00 33.50 31.91 3ikc n PRO 184 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3ikc n SER 185 N 0.02 0.00 0.05 2.55 3.41 -0.80 -1.39 113.62 117.46 3ikc n SER 185 Ca 0.04 -0.11 0.13 0.00 -0.26 0.00 0.00 58.87 58.68 3ikc n SER 185 Cb 0.40 -0.21 0.43 0.00 -0.26 0.00 0.00 64.21 64.57 3ikc n SER 185 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ikc n SER 186 N -1.21 0.47 -0.09 4.04 3.41 -1.26 -3.77 113.62 115.21 3ikc n SER 186 Ca 0.09 0.39 -0.13 0.00 -0.26 0.00 0.00 58.87 58.97 3ikc n SER 186 Cb 0.11 -0.43 -0.15 0.00 -0.26 0.00 0.00 64.21 63.49 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 -1.88 1.47 -4.83 6.66 -1.04 -0.49 -4.66 114.28 109.51 3ikc n THR 187 Ca 0.06 -0.76 -0.33 0.00 -2.04 0.00 0.00 64.05 60.98 3ikc n THR 187 Cb 0.39 -0.88 -0.14 0.00 -1.82 0.00 0.00 70.33 67.88 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 -2.52 2.76 -1.15 -1.42 -0.00 -1.21 0.12 118.94 115.52 3ikc s TRP 188 Ca -0.17 -0.50 0.12 0.00 -0.00 0.00 0.00 56.10 55.54 3ikc s TRP 188 Cb 0.07 -1.77 0.49 0.00 -0.00 0.00 0.00 33.47 32.26 3ikc s TRP 188 CO 0.76 -0.09 1.34 -0.35 -0.00 0.00 0.00 176.95 178.61 3ikc n PRO 189 N 3.14 2.94 -0.02 5.86 -0.05 -1.26 -4.74 135.00 140.87 3ikc n PRO 189 Ca -0.18 -1.93 0.19 0.00 -0.05 0.00 0.00 63.50 61.54 3ikc n PRO 189 Cb 0.53 -1.73 0.67 0.00 -0.05 0.00 0.00 33.50 32.91 3ikc n PRO 189 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 3ikc h SER 190 N 2.71 0.05 -2.89 3.54 4.64 -1.69 -3.40 113.55 116.50 3ikc h SER 190 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 3ikc h SER 190 Cb 1.12 -0.01 -0.17 0.00 -0.31 0.00 0.00 62.40 63.03 3ikc h SER 190 CO 0.18 0.03 -0.80 -1.10 -0.87 0.00 0.00 176.83 174.27 3ikc s GLN 191 N -5.06 1.60 0.27 4.77 -0.21 0.32 -5.07 119.66 116.27 3ikc s GLN 191 Ca -0.05 -1.58 -0.29 0.00 0.02 0.00 0.00 55.36 53.45 3ikc s GLN 191 Cb 0.20 -1.84 -0.09 0.00 1.00 0.00 0.00 33.01 32.27 3ikc s GLN 191 CO 0.73 0.38 1.20 0.99 -2.12 0.00 0.00 175.29 176.48 3ikc s THR 192 N -1.92 3.22 -0.12 -0.19 2.01 -1.26 -4.64 115.64 112.75 3ikc s THR 192 Ca 0.24 1.17 0.01 0.00 0.31 0.00 0.00 61.69 63.42 3ikc s THR 192 Cb -0.07 -3.75 0.02 0.00 0.01 0.00 0.00 72.50 68.71 3ikc s THR 192 CO 0.12 0.25 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.47 3ikc s VAL 193 N -0.85 1.46 -0.01 3.82 1.01 -1.26 -5.03 120.40 119.55 3ikc s VAL 193 Ca 0.48 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.90 3ikc s VAL 193 Cb -0.35 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 3ikc s VAL 193 CO 0.44 0.43 -0.12 -0.63 0.00 0.00 0.00 175.10 175.22 3ikc s ILE 194 N 1.16 0.98 -0.14 2.22 1.01 -1.26 -0.93 121.20 124.23 3ikc s ILE 194 Ca -0.03 -0.55 -0.05 0.00 0.00 0.00 0.00 60.65 60.02 3ikc s ILE 194 Cb -0.14 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 3ikc s ILE 194 CO -0.04 0.26 0.05 0.00 0.00 0.00 0.00 174.94 175.21 3ikc s ASN 196 N -0.27 6.21 -0.17 0.00 -0.87 0.31 -1.90 114.94 118.25 3ikc s ASN 196 Ca 0.08 -0.01 -0.02 0.00 -1.57 0.00 0.00 52.86 51.34 3ikc s ASN 196 Cb -0.12 -2.20 -0.01 0.00 -0.02 0.00 0.00 41.25 38.90 3ikc s ASN 196 CO 0.02 -0.28 -0.10 -0.69 -2.57 0.00 0.00 177.10 173.47 3ikc s VAL 197 N 2.06 3.07 -0.09 1.60 1.01 0.19 -0.12 120.40 128.14 3ikc s VAL 197 Ca 0.13 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.53 3ikc s VAL 197 Cb -0.16 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.88 3ikc s VAL 197 CO 0.11 0.48 -0.22 0.00 0.00 0.00 0.00 175.10 175.48 3ikc s ALA 198 N 0.94 2.00 -0.49 5.51 0.00 -0.25 -0.30 121.76 129.16 3ikc s ALA 198 Ca -0.02 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.09 3ikc s ALA 198 Cb -0.15 -0.74 0.15 0.00 0.00 0.00 0.00 23.12 22.38 3ikc s ALA 198 CO -0.01 0.28 0.30 -1.58 0.00 0.00 0.00 175.76 174.76 3ikc s HIS 199 N 0.30 2.21 0.27 0.00 2.46 -0.20 -1.11 115.29 119.23 3ikc s HIS 199 Ca -0.15 -2.62 -0.00 0.00 0.47 0.00 0.00 55.06 52.75 3ikc s HIS 199 Cb -0.17 -1.94 0.61 0.00 -0.13 0.00 0.00 32.58 30.95 3ikc s HIS 199 CO 0.07 -0.74 1.69 -1.35 -2.47 0.00 0.00 174.74 171.94 3ikc h PRO 200 N 6.30 0.35 0.00 2.88 0.11 -1.80 -0.70 132.00 139.14 3ikc h PRO 200 Ca 0.06 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.13 3ikc h PRO 200 Cb 0.89 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 3ikc h PRO 200 CO 0.52 0.23 -0.07 0.00 -0.21 0.00 0.00 178.00 178.47 3ikc h ALA 201 N 1.67 1.38 -0.29 -0.75 0.00 -1.90 0.83 119.26 120.19 3ikc h ALA 201 Ca 0.50 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3ikc h ALA 201 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3ikc h ALA 201 CO -0.52 0.09 0.00 -1.13 0.00 0.00 0.00 179.25 177.69 3ikc n SER 202 N -3.72 2.85 -3.96 0.00 3.41 -0.36 -4.96 113.62 106.87 3ikc n SER 202 Ca -0.02 -1.85 -0.31 0.00 -0.26 0.00 0.00 58.87 56.43 3ikc n SER 202 Cb 0.17 -0.19 0.02 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.84 -5.11 -3.39 4.33 4.76 0.28 -4.94 118.16 114.94 3ikc n LYS 203 Ca 0.13 0.56 -0.38 0.00 -2.87 0.00 0.00 58.31 55.75 3ikc n LYS 203 Cb 0.44 -5.40 -0.07 0.00 -1.84 0.00 0.00 35.03 28.16 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 -3.32 5.21 -0.34 -0.18 2.01 -0.79 -4.97 115.64 113.25 3ikc s THR 204 Ca 0.64 0.76 0.02 0.00 0.31 0.00 0.00 61.69 63.42 3ikc s THR 204 Cb -0.33 -3.74 0.10 0.00 0.01 0.00 0.00 72.50 68.54 3ikc s THR 204 CO 0.85 0.29 0.08 -1.61 -0.69 0.00 0.00 174.62 173.54 3ikc s GLU 205 N 1.02 1.17 -0.03 4.92 0.41 -1.26 -1.03 118.70 123.90 3ikc s GLU 205 Ca 0.21 -1.58 0.07 0.00 -0.41 0.00 0.00 54.97 53.25 3ikc s GLU 205 Cb -0.15 -2.68 -0.02 0.00 -1.78 0.00 0.00 34.13 29.51 3ikc s GLU 205 CO 0.08 -0.97 -0.23 -1.17 -0.49 0.00 0.00 175.26 172.48 3ikc s LEU 206 N 1.13 2.25 -0.08 1.80 0.20 0.58 -5.00 118.68 119.56 3ikc s LEU 206 Ca 0.11 -0.39 0.05 0.00 0.69 0.00 0.00 54.13 54.59 3ikc s LEU 206 Cb -0.19 -1.40 -0.00 0.00 -0.43 0.00 0.00 46.19 44.17 3ikc s LEU 206 CO -0.14 0.33 -0.23 0.27 -0.29 0.00 0.00 176.35 176.28 3ikc s ILE 207 N -0.65 1.97 -0.20 6.68 -4.36 -1.26 -0.64 121.20 122.74 3ikc s ILE 207 Ca 0.10 -0.98 0.01 0.00 -0.26 0.00 0.00 60.65 59.52 3ikc s ILE 207 Cb -0.10 -1.69 0.05 0.00 1.25 0.00 0.00 42.46 41.97 3ikc s ILE 207 CO -0.01 0.54 -0.09 -0.75 0.24 0.00 0.00 174.94 174.88 3ikc s LYS 208 N 0.18 1.88 0.00 0.37 2.47 -0.80 -5.00 119.74 118.84 3ikc s LYS 208 Ca -0.13 -0.83 -0.26 0.00 -1.56 0.00 0.00 55.97 53.19 3ikc s LYS 208 Cb -0.16 -2.40 -0.04 0.00 -1.46 0.00 0.00 37.83 33.77 3ikc s LYS 208 CO 0.07 -0.46 0.80 0.50 0.16 0.00 0.00 175.35 176.41 3ikc s ARG 209 N 1.42 4.50 -0.44 4.03 3.52 -1.26 -1.94 118.95 128.79 3ikc s ARG 209 Ca -0.02 1.10 -0.16 0.00 -0.13 0.00 0.00 55.73 56.52 3ikc s ARG 209 Cb -0.17 -3.41 0.04 0.00 -1.56 0.00 0.00 34.95 29.85 3ikc s ARG 209 CO -0.08 0.13 0.38 0.42 -0.81 0.00 0.00 175.30 175.35 3ikc s ILE 210 N 0.46 5.20 -0.00 4.11 -1.09 -0.11 -5.01 121.20 124.76 3ikc s ILE 210 Ca 0.42 -0.73 0.02 0.00 -2.23 0.00 0.00 60.65 58.12 3ikc s ILE 210 Cb -0.20 -4.04 -0.04 0.00 -1.58 0.00 0.00 42.46 36.61 3ikc s ILE 210 CO 0.23 -0.45 -0.01 -1.61 -1.23 0.00 0.00 174.94 171.86 3ikc s GLU 211 N 1.81 2.74 0.44 2.79 0.41 -1.26 -4.67 118.70 120.96 3ikc s GLU 211 Ca 0.07 -0.63 -0.24 0.00 -0.41 0.00 0.00 54.97 53.76 3ikc s GLU 211 Cb -0.20 -2.64 -0.10 0.00 -1.78 0.00 0.00 34.13 29.41 3ikc s GLU 211 CO 0.10 0.62 1.00 -2.30 -0.49 0.00 0.00 175.26 174.18 3ikc n PRO 212 N 1.42 1.30 0.00 0.39 -0.02 -1.26 -4.95 135.00 131.88 3ikc n PRO 212 Ca -0.15 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3ikc n PRO 212 Cb 0.53 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 3ikc n PRO 212 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35