#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ekr s PRO 11 N 0.00 4.13 0.15 3.69 0.04 -1.26 -4.91 135.00 136.83 3ekr s PRO 11 Ca 0.00 2.22 -0.16 0.00 0.04 0.00 0.00 61.00 63.10 3ekr s PRO 11 Cb 0.00 -2.90 0.04 0.00 0.04 0.00 0.00 34.50 31.68 3ekr s PRO 11 CO 0.00 -0.38 1.77 0.52 0.04 0.00 0.00 177.00 178.95 3ekr h MET 12 N 2.97 0.34 -4.16 4.56 2.86 -2.13 -3.44 114.93 115.94 3ekr h MET 12 Ca -0.49 -0.02 -0.16 0.00 -2.06 0.00 0.00 59.70 56.96 3ekr h MET 12 Cb 1.24 -0.08 -0.19 0.00 0.06 0.00 0.00 31.60 32.64 3ekr h MET 12 CO 0.64 0.23 -0.70 -1.21 1.06 0.00 0.00 176.91 176.93 3ekr s GLU 13 N -6.16 0.47 -0.14 1.72 2.02 -1.26 -5.15 118.70 110.19 3ekr s GLU 13 Ca -0.13 -0.88 -0.07 0.00 0.02 0.00 0.00 54.97 53.91 3ekr s GLU 13 Cb 0.11 0.10 0.06 0.00 0.10 0.00 0.00 34.13 34.50 3ekr s GLU 13 CO 0.71 -0.06 0.33 -2.00 0.02 0.00 0.00 175.26 174.26 3ekr s GLU 14 N -2.49 0.29 -0.01 1.61 2.12 -1.26 -5.15 118.70 113.82 3ekr s GLU 14 Ca -0.06 0.69 0.01 0.00 0.36 0.00 0.00 54.97 55.97 3ekr s GLU 14 Cb -0.03 -0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.32 3ekr s GLU 14 CO -0.04 -0.18 -0.02 -1.83 -0.54 0.00 0.00 175.26 172.65 3ekr s GLU 15 N 1.51 0.18 0.14 4.30 -1.05 -1.26 -5.13 118.70 117.39 3ekr s GLU 15 Ca -0.08 -0.04 -0.30 0.00 -0.15 0.00 0.00 54.97 54.39 3ekr s GLU 15 Cb -0.10 -0.21 -0.07 0.00 -0.44 0.00 0.00 34.13 33.31 3ekr s GLU 15 CO -0.11 0.01 1.19 -2.00 0.95 0.00 0.00 175.26 175.30 3ekr s GLU 16 N 0.14 4.49 -0.11 -4.83 2.56 -1.26 -5.03 118.70 114.65 3ekr s GLU 16 Ca -0.01 1.82 0.04 0.00 0.00 0.00 0.00 54.97 56.82 3ekr s GLU 16 Cb -0.03 -3.28 0.00 0.00 2.00 0.00 0.00 34.13 32.82 3ekr s GLU 16 CO -0.00 -0.12 -0.23 0.08 -0.56 0.00 0.00 175.26 174.42 3ekr s VAL 17 N 0.28 2.11 -0.09 3.70 1.01 -1.26 -4.42 120.40 121.73 3ekr s VAL 17 Ca 0.54 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 3ekr s VAL 17 Cb -0.31 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 3ekr s VAL 17 CO 0.34 0.56 -0.01 -1.61 0.00 0.00 0.00 175.10 174.37 3ekr s GLU 18 N 0.41 3.05 -0.14 2.72 2.02 -0.23 -4.96 118.70 121.57 3ekr s GLU 18 Ca -0.17 -0.44 -0.01 0.00 0.02 0.00 0.00 54.97 54.38 3ekr s GLU 18 Cb -0.18 -2.79 -0.01 0.00 0.10 0.00 0.00 34.13 31.25 3ekr s GLU 18 CO 0.07 0.64 -0.12 0.99 0.02 0.00 0.00 175.26 176.86 3ekr s THR 19 N -0.71 3.11 0.04 3.63 2.01 -1.26 -0.53 115.64 121.93 3ekr s THR 19 Ca 0.11 -0.64 0.09 0.00 0.31 0.00 0.00 61.69 61.56 3ekr s THR 19 Cb -0.12 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 3ekr s THR 19 CO 0.02 0.52 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.87 3ekr s PHE 20 N 0.43 2.38 0.16 4.92 0.40 -0.01 -4.98 117.98 121.28 3ekr s PHE 20 Ca -0.09 -0.37 -0.29 0.00 -0.60 0.00 0.00 56.93 55.58 3ekr s PHE 20 Cb -0.16 -1.41 -0.07 0.00 0.51 0.00 0.00 43.02 41.89 3ekr s PHE 20 CO 0.05 0.16 0.91 0.00 0.70 0.00 0.00 175.22 177.04 3ekr s ALA 21 N -0.84 3.32 0.40 5.36 0.00 -1.26 -1.06 121.76 127.68 3ekr s ALA 21 Ca 0.12 0.54 -0.26 0.00 0.00 0.00 0.00 51.96 52.36 3ekr s ALA 21 Cb -0.10 -3.18 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 3ekr s ALA 21 CO 0.03 0.11 1.36 -0.06 0.00 0.00 0.00 175.76 177.20 3ekr s PHE 22 N -0.60 2.72 0.57 0.00 0.08 -0.02 -4.65 117.98 116.08 3ekr s PHE 22 Ca 0.42 1.34 -0.19 0.00 0.12 0.00 0.00 56.93 58.62 3ekr s PHE 22 Cb -0.24 -3.79 -0.07 0.00 -0.57 0.00 0.00 43.02 38.35 3ekr s PHE 22 CO 0.30 -2.42 0.85 0.94 -0.10 0.00 0.00 175.22 174.79 3ekr n GLN 23 N 0.18 0.85 -0.10 0.44 0.00 -0.09 -4.70 117.38 113.96 3ekr n GLN 23 Ca 0.03 0.33 -0.07 0.00 -0.00 0.00 0.00 57.00 57.29 3ekr n GLN 23 Cb 0.42 -2.02 0.01 0.00 0.00 0.00 0.00 30.24 28.65 3ekr n GLN 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ekr h ALA 24 N 0.57 0.41 -0.33 1.69 0.00 -1.93 -1.40 119.26 118.27 3ekr h ALA 24 Ca -0.47 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 3ekr h ALA 24 Cb 1.37 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3ekr h ALA 24 CO 0.51 -0.24 -0.16 0.93 0.00 0.00 0.00 179.25 180.29 3ekr h GLU 25 N 0.30 0.59 -0.63 0.00 3.07 -1.98 -1.37 114.58 114.56 3ekr h GLU 25 Ca 0.15 -0.20 -0.07 0.00 -0.50 0.00 0.00 59.36 58.74 3ekr h GLU 25 Cb 0.10 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 3ekr h GLU 25 CO -0.13 0.73 0.10 0.82 -1.40 0.00 0.00 179.01 179.13 3ekr h ILE 26 N 0.54 1.26 -0.83 3.13 2.04 -1.75 -0.57 117.51 121.34 3ekr h ILE 26 Ca 0.09 -1.01 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 3ekr h ILE 26 Cb 0.58 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 3ekr h ILE 26 CO 0.04 0.38 0.44 0.00 0.00 0.00 0.00 178.15 179.01 3ekr h ALA 27 N 1.03 1.22 -0.35 1.87 0.00 -0.80 -0.81 119.26 121.41 3ekr h ALA 27 Ca 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3ekr h ALA 27 Cb 0.43 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ekr h ALA 27 CO 0.01 0.63 0.09 1.96 0.00 0.00 0.00 179.25 181.93 3ekr h GLN 28 N 1.16 0.56 -0.48 0.00 4.20 -0.88 -2.16 115.11 117.50 3ekr h GLN 28 Ca 0.29 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 3ekr h GLN 28 Cb 0.05 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3ekr h GLN 28 CO -0.04 0.61 0.30 1.25 -0.67 0.00 0.00 178.83 180.27 3ekr h LEU 29 N 0.42 0.58 -1.10 1.46 5.85 -0.69 -1.30 115.31 120.53 3ekr h LEU 29 Ca 0.11 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3ekr h LEU 29 Cb 0.30 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3ekr h LEU 29 CO 0.00 0.46 0.29 0.24 -0.34 0.00 0.00 178.44 179.09 3ekr h MET 30 N 0.65 0.93 -0.33 1.25 2.86 -1.03 -0.24 114.93 119.02 3ekr h MET 30 Ca 0.17 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 3ekr h MET 30 Cb -0.02 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 3ekr h MET 30 CO -0.03 0.73 -0.13 1.03 1.06 0.00 0.00 176.91 179.57 3ekr h SER 31 N 0.93 0.68 -0.40 1.22 0.87 -0.98 -0.77 113.55 115.08 3ekr h SER 31 Ca 0.22 -0.39 0.03 0.00 -1.23 0.00 0.00 61.79 60.43 3ekr h SER 31 Cb 0.12 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 3ekr h SER 31 CO -0.03 0.92 0.20 0.25 -0.53 0.00 0.00 176.83 177.64 3ekr h LEU 32 N 0.43 0.29 -0.23 2.23 5.85 -0.81 -2.33 115.31 120.74 3ekr h LEU 32 Ca 0.08 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 3ekr h LEU 32 Cb 0.65 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 3ekr h LEU 32 CO 0.04 0.21 -0.13 0.40 -0.34 0.00 0.00 178.44 178.62 3ekr h ILE 33 N 0.40 1.31 0.00 4.05 2.04 -0.88 -1.89 117.51 122.54 3ekr h ILE 33 Ca 0.17 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.80 3ekr h ILE 33 Cb 0.08 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3ekr h ILE 33 CO -0.12 0.38 0.00 -0.29 0.00 0.00 0.00 178.15 178.11 3ekr h ILE 34 N 0.20 0.00 0.00 -0.67 2.10 -1.11 -3.32 117.51 114.71 3ekr h ILE 34 Ca 0.05 -0.73 -0.30 0.00 1.08 0.00 0.00 64.86 64.95 3ekr h ILE 34 Cb 0.64 1.72 -0.06 0.00 -1.09 0.00 0.00 36.82 38.04 3ekr h ILE 34 CO 0.04 0.00 -2.16 0.59 -1.08 0.00 0.00 178.15 175.54 3ekr n ASN 35 N -2.78 0.83 -4.79 2.19 3.02 -0.88 -4.96 115.26 107.89 3ekr n ASN 35 Ca 0.04 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.22 3ekr n ASN 35 Cb 0.46 0.93 -0.06 0.00 -0.61 0.00 0.00 39.78 40.49 3ekr n ASN 35 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3ekr s THR 36 N -2.42 4.38 0.03 3.41 2.01 -0.71 -5.02 115.64 117.32 3ekr s THR 36 Ca -0.08 1.60 -0.30 0.00 0.31 0.00 0.00 61.69 63.21 3ekr s THR 36 Cb 0.05 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 3ekr s THR 36 CO 0.69 0.30 1.13 0.12 -0.69 0.00 0.00 174.62 176.17 3ekr s PHE 37 N -1.42 3.48 0.03 4.92 2.19 -1.26 -4.94 117.98 120.97 3ekr s PHE 37 Ca 0.43 1.41 0.04 0.00 0.33 0.00 0.00 56.93 59.14 3ekr s PHE 37 Cb -0.20 -3.33 -0.02 0.00 -1.31 0.00 0.00 43.02 38.17 3ekr s PHE 37 CO 0.24 -0.89 -0.12 0.71 1.83 0.00 0.00 175.22 176.99 3ekr s TYR 38 N 1.19 1.05 -0.69 10.12 1.51 -1.26 -5.05 117.35 124.23 3ekr s TYR 38 Ca 0.56 -0.32 0.25 0.00 -1.01 0.00 0.00 57.07 56.55 3ekr s TYR 38 Cb -0.26 -0.63 0.48 0.00 -0.11 0.00 0.00 41.96 41.43 3ekr s TYR 38 CO 0.28 0.01 1.44 -1.13 -1.11 0.00 0.00 175.55 175.04 3ekr n SER 39 N 2.08 0.70 -2.60 2.29 3.41 -1.26 -4.27 113.62 113.98 3ekr n SER 39 Ca -0.17 0.22 -0.27 0.00 -0.26 0.00 0.00 58.87 58.38 3ekr n SER 39 Cb 0.55 -0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.42 3ekr n SER 39 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3ekr n ASN 40 N -2.11 4.62 0.29 4.04 6.94 -1.26 -4.85 115.26 122.94 3ekr n ASN 40 Ca 0.04 -3.70 0.19 0.00 -0.02 0.00 0.00 54.58 51.09 3ekr n ASN 40 Cb 0.43 -0.49 0.90 0.00 -2.36 0.00 0.00 39.78 38.26 3ekr n ASN 40 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 3ekr h LYS 41 N 2.68 0.00 0.00 -3.83 1.57 -1.97 -3.06 116.57 111.97 3ekr h LYS 41 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3ekr h LYS 41 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3ekr h LYS 41 CO 0.84 0.00 0.00 1.05 -0.57 0.00 0.00 179.45 180.77 3ekr h GLU 42 N 0.00 0.00 0.00 3.15 4.11 -1.96 -2.25 114.58 117.63 3ekr h GLU 42 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3ekr h GLU 42 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3ekr h GLU 42 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 179.01 179.52 3ekr n ILE 43 N -2.36 1.18 -0.28 -1.06 -6.64 -1.16 -2.39 119.36 106.66 3ekr n ILE 43 Ca -0.01 0.31 0.04 0.00 -1.77 0.00 0.00 62.75 61.32 3ekr n ILE 43 Cb 0.06 -1.14 0.26 0.00 -1.44 0.00 0.00 39.64 37.37 3ekr n ILE 43 CO 0.00 0.00 0.00 2.19 -1.77 0.00 0.00 176.55 176.97 3ekr h PHE 44 N 0.00 1.00 -0.30 4.28 -5.15 -1.68 -2.13 116.94 112.95 3ekr h PHE 44 Ca 0.00 0.03 -0.16 0.00 -0.20 0.00 0.00 57.97 57.64 3ekr h PHE 44 Cb 0.20 -0.33 -0.01 0.00 0.22 0.00 0.00 35.95 36.04 3ekr h PHE 44 CO 0.00 0.54 -0.45 1.25 -2.00 0.00 0.00 178.31 177.64 3ekr h LEU 45 N 0.99 0.85 -0.78 2.10 5.85 -1.75 -1.74 115.31 120.84 3ekr h LEU 45 Ca 0.37 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.68 3ekr h LEU 45 Cb 0.17 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 3ekr h LEU 45 CO -0.13 1.17 0.52 -0.09 -0.34 0.00 0.00 178.44 179.57 3ekr h ARG 46 N 0.63 1.02 -0.53 1.25 2.43 -1.63 -0.98 114.38 116.57 3ekr h ARG 46 Ca 0.04 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 3ekr h ARG 46 Cb 1.02 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.32 3ekr h ARG 46 CO 0.10 0.68 -0.13 0.93 -1.51 0.00 0.00 179.97 180.03 3ekr h GLU 47 N 1.05 1.01 -0.17 0.20 4.39 -1.10 0.29 114.58 120.25 3ekr h GLU 47 Ca 0.29 -0.38 -0.20 0.00 0.34 0.00 0.00 59.36 59.40 3ekr h GLU 47 Cb -0.12 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.48 3ekr h GLU 47 CO -0.06 1.07 -0.69 -0.07 -1.16 0.00 0.00 179.01 178.10 3ekr h LEU 48 N 0.90 0.82 -0.84 1.33 3.38 -1.13 -1.27 115.31 118.50 3ekr h LEU 48 Ca 0.13 -0.50 -0.08 0.00 0.09 0.00 0.00 57.88 57.52 3ekr h LEU 48 Cb 0.70 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3ekr h LEU 48 CO 0.05 1.28 0.02 0.40 0.09 0.00 0.00 178.44 180.28 3ekr h ILE 49 N 0.50 1.25 -0.70 1.22 2.04 -1.13 -1.14 117.51 119.55 3ekr h ILE 49 Ca -0.03 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 3ekr h ILE 49 Cb 1.29 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 3ekr h ILE 49 CO 0.14 0.37 0.40 -1.28 0.00 0.00 0.00 178.15 177.78 3ekr h SER 50 N 0.83 0.87 -0.33 1.72 0.87 -0.74 -0.48 113.55 116.28 3ekr h SER 50 Ca 0.16 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3ekr h SER 50 Cb 0.46 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 3ekr h SER 50 CO 0.02 0.70 0.20 0.78 -0.53 0.00 0.00 176.83 178.00 3ekr h ASN 51 N 0.96 0.39 -0.52 6.23 2.35 -0.91 -1.13 115.58 122.95 3ekr h ASN 51 Ca 0.25 -0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.98 3ekr h ASN 51 Cb 0.02 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 3ekr h ASN 51 CO -0.04 0.32 0.32 0.28 -1.65 0.00 0.00 177.43 176.66 3ekr h SER 52 N 0.43 0.53 -0.59 5.81 0.02 -0.90 -0.95 113.55 117.90 3ekr h SER 52 Ca 0.12 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 3ekr h SER 52 Cb -0.01 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.37 3ekr h SER 52 CO -0.02 0.38 0.33 -1.28 -1.14 0.00 0.00 176.83 175.09 3ekr h SER 53 N 0.64 0.50 -0.78 3.07 0.87 -0.79 0.11 113.55 117.17 3ekr h SER 53 Ca 0.21 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.75 3ekr h SER 53 Cb -0.00 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 3ekr h SER 53 CO -0.08 0.34 0.36 0.44 -0.53 0.00 0.00 176.83 177.36 3ekr h ASP 54 N 0.63 1.04 -0.02 6.23 3.32 -0.71 0.14 116.42 127.05 3ekr h ASP 54 Ca 0.25 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 3ekr h ASP 54 Cb 0.11 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3ekr h ASP 54 CO -0.14 0.89 -0.24 0.00 -1.72 0.00 0.00 179.24 178.03 3ekr h ALA 55 N 1.19 1.18 -0.27 3.45 0.00 -0.52 -2.12 119.26 122.17 3ekr h ALA 55 Ca 0.27 -0.32 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 3ekr h ALA 55 Cb 0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ekr h ALA 55 CO -0.03 0.53 -0.55 -0.07 0.00 0.00 0.00 179.25 179.12 3ekr h LEU 56 N 0.38 0.92 -1.10 0.00 3.38 -0.24 -1.61 115.31 117.03 3ekr h LEU 56 Ca 0.06 -0.50 0.09 0.00 0.09 0.00 0.00 57.88 57.62 3ekr h LEU 56 Cb 0.62 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 3ekr h LEU 56 CO 0.04 1.28 0.61 0.44 0.09 0.00 0.00 178.44 180.91 3ekr h ASP 57 N 0.63 0.91 0.02 -0.43 3.32 -0.45 -1.45 116.42 118.97 3ekr h ASP 57 Ca 0.01 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3ekr h ASP 57 Cb 1.15 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3ekr h ASP 57 CO 0.12 0.54 -0.01 0.11 -1.72 0.00 0.00 179.24 178.28 3ekr h LYS 58 N 1.01 -0.02 -0.39 3.56 1.57 -1.24 -0.09 116.57 120.96 3ekr h LYS 58 Ca 0.44 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.15 3ekr h LYS 58 Cb 0.34 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3ekr h LYS 58 CO -0.19 0.36 -0.05 0.97 -0.57 0.00 0.00 179.45 179.97 3ekr h ILE 59 N -0.41 1.23 -0.28 1.86 6.09 -1.38 -1.80 117.51 122.82 3ekr h ILE 59 Ca -0.00 -0.98 -0.01 0.00 -1.37 0.00 0.00 64.86 62.50 3ekr h ILE 59 Cb 0.40 0.98 -0.01 0.00 0.47 0.00 0.00 36.82 38.66 3ekr h ILE 59 CO 0.00 0.34 0.14 -0.09 -3.07 0.00 0.00 178.15 175.47 3ekr h ARG 60 N 0.61 0.40 -0.43 2.19 2.43 -1.17 -1.10 114.38 117.31 3ekr h ARG 60 Ca 0.12 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.31 3ekr h ARG 60 Cb 0.45 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.86 3ekr h ARG 60 CO 0.02 0.38 0.02 -0.92 -1.51 0.00 0.00 179.97 177.96 3ekr h TYR 61 N 0.32 0.01 -0.80 2.20 5.03 -0.61 -1.89 116.97 121.23 3ekr h TYR 61 Ca 0.10 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.44 3ekr h TYR 61 Cb 0.10 0.06 -0.04 0.00 1.55 0.00 0.00 36.73 38.41 3ekr h TYR 61 CO -0.02 -0.07 0.52 0.93 -1.32 0.00 0.00 178.16 178.20 3ekr h GLU 62 N 0.13 1.06 0.00 1.82 5.08 -0.91 -2.06 114.58 119.70 3ekr h GLU 62 Ca 0.21 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3ekr h GLU 62 Cb 0.30 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3ekr h GLU 62 CO -0.34 0.71 0.00 0.66 -1.00 0.00 0.00 179.01 179.05 3ekr h SER 63 N 1.09 0.00 -0.81 1.42 4.64 -0.41 -2.21 113.55 117.27 3ekr h SER 63 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3ekr h SER 63 Cb -0.10 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 61.95 3ekr h SER 63 CO -0.06 0.00 0.52 -0.07 -0.87 0.00 0.00 176.83 176.35 3ekr h LEU 64 N 0.00 0.94 -0.05 5.97 3.38 -0.97 -3.06 115.31 121.52 3ekr h LEU 64 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ekr h LEU 64 Cb 0.43 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3ekr h LEU 64 CO 0.00 0.70 -0.47 0.35 0.09 0.00 0.00 178.44 179.11 3ekr n THR 65 N -4.40 0.00 -3.29 0.22 -2.24 -1.13 -4.82 114.28 98.61 3ekr n THR 65 Ca 0.09 -0.27 -0.21 0.00 -2.27 0.00 0.00 64.05 61.40 3ekr n THR 65 Cb 0.04 1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 69.20 3ekr n THR 65 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ekr s ASP 66 N -1.93 1.08 0.57 3.42 -1.08 -0.85 -5.00 116.67 112.88 3ekr s ASP 66 Ca 0.04 -2.32 0.26 0.00 -0.52 0.00 0.00 52.55 50.01 3ekr s ASP 66 Cb 0.08 0.23 1.60 0.00 -1.46 0.00 0.00 42.92 43.37 3ekr s ASP 66 CO 0.41 -0.19 2.16 -0.65 0.52 0.00 0.00 175.17 177.41 3ekr h PRO 67 N 6.12 0.00 0.00 4.34 0.11 -1.82 0.12 132.00 140.88 3ekr h PRO 67 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3ekr h PRO 67 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3ekr h PRO 67 CO 0.25 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.91 3ekr n SER 68 N -4.04 0.03 0.29 -2.05 3.41 -1.26 -0.84 113.62 109.16 3ekr n SER 68 Ca -0.00 0.51 0.17 0.00 -0.26 0.00 0.00 58.87 59.29 3ekr n SER 68 Cb 0.21 -0.51 0.89 0.00 -0.26 0.00 0.00 64.21 64.54 3ekr n SER 68 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3ekr h LYS 69 N 0.00 0.00 -0.73 4.33 1.79 -1.31 -2.42 116.57 118.23 3ekr h LYS 69 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3ekr h LYS 69 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 3ekr h LYS 69 CO 0.00 0.05 0.00 1.28 -1.08 0.00 0.00 179.45 179.70 3ekr n LEU 70 N -3.35 4.01 0.24 2.94 4.77 -0.02 -4.23 117.00 121.36 3ekr n LEU 70 Ca -0.02 -2.01 0.15 0.00 -0.03 0.00 0.00 56.01 54.10 3ekr n LEU 70 Cb 0.19 -0.50 0.82 0.00 -2.33 0.00 0.00 43.42 41.60 3ekr n LEU 70 CO 0.26 0.96 1.13 0.44 -1.33 0.00 0.00 177.39 178.85 3ekr h ASP 71 N 4.27 0.00 -0.19 -1.43 3.32 -1.57 0.10 116.42 120.93 3ekr h ASP 71 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ekr h ASP 71 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.58 3ekr h ASP 71 CO 0.02 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.00 3ekr n SER 72 N -4.00 1.08 0.00 6.45 3.41 -1.26 -4.91 113.62 114.39 3ekr n SER 72 Ca -0.01 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 3ekr n SER 72 Cb 0.20 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 3ekr n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ekr n GLY 73 N 0.85 3.90 0.08 5.00 0.00 0.36 -3.92 105.19 111.45 3ekr n GLY 73 Ca 0.08 -0.79 0.01 0.00 0.00 0.00 0.00 46.02 45.32 3ekr n GLY 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ekr n LYS 74 N 0.00 0.64 -2.12 1.61 5.02 -1.23 -4.71 118.16 117.37 3ekr n LYS 74 Ca 0.00 0.11 -0.42 0.00 -2.02 0.00 0.00 58.31 55.98 3ekr n LYS 74 Cb 0.00 -1.72 -0.03 0.00 -0.02 0.00 0.00 35.03 33.26 3ekr n LYS 74 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3ekr s GLU 75 N -2.98 4.28 -0.36 1.97 2.02 -1.26 -4.99 118.70 117.38 3ekr s GLU 75 Ca -0.05 2.12 -0.04 0.00 0.02 0.00 0.00 54.97 57.03 3ekr s GLU 75 Cb 0.09 -3.36 0.07 0.00 0.10 0.00 0.00 34.13 31.03 3ekr s GLU 75 CO 0.83 -0.53 0.12 -0.51 0.02 0.00 0.00 175.26 175.18 3ekr s LEU 76 N 1.63 4.59 0.32 1.80 1.43 -1.26 -4.78 118.68 122.41 3ekr s LEU 76 Ca 0.66 -1.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.06 3ekr s LEU 76 Cb -0.37 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.07 3ekr s LEU 76 CO 0.30 -0.40 0.65 -1.38 0.23 0.00 0.00 176.35 175.74 3ekr s HIS 77 N 1.25 0.26 -0.06 0.29 -3.43 -1.26 -4.30 115.29 108.03 3ekr s HIS 77 Ca 0.01 -0.73 0.03 0.00 -0.80 0.00 0.00 55.06 53.57 3ekr s HIS 77 Cb -0.21 0.50 0.01 0.00 -1.43 0.00 0.00 32.58 31.45 3ekr s HIS 77 CO -0.01 -1.28 -0.14 0.42 -2.00 0.00 0.00 174.74 171.73 3ekr s ILE 78 N -3.24 1.22 -0.07 -5.38 1.01 -0.18 -2.80 121.20 111.76 3ekr s ILE 78 Ca 0.18 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.32 3ekr s ILE 78 Cb -0.04 -1.09 -0.02 0.00 0.01 0.00 0.00 42.46 41.32 3ekr s ILE 78 CO 0.11 0.37 -0.18 0.20 0.00 0.00 0.00 174.94 175.45 3ekr s ASN 79 N 0.48 3.69 -0.17 3.58 0.01 0.95 -0.84 114.94 122.65 3ekr s ASN 79 Ca -0.12 -0.34 -0.03 0.00 -0.71 0.00 0.00 52.86 51.66 3ekr s ASN 79 Cb -0.14 -1.03 -0.02 0.00 0.41 0.00 0.00 41.25 40.47 3ekr s ASN 79 CO 0.03 0.27 -0.05 -0.76 -1.51 0.00 0.00 177.10 175.08 3ekr s LEU 80 N -0.27 3.07 -0.38 0.60 1.43 0.59 -0.28 118.68 123.45 3ekr s LEU 80 Ca 0.01 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 3ekr s LEU 80 Cb -0.13 -1.74 0.12 0.00 0.03 0.00 0.00 46.19 44.47 3ekr s LEU 80 CO 0.03 0.12 0.18 -0.63 0.23 0.00 0.00 176.35 176.28 3ekr s ILE 81 N 0.65 1.03 0.20 -0.59 1.01 0.73 -0.80 121.20 123.42 3ekr s ILE 81 Ca -0.03 -2.01 -0.30 0.00 0.00 0.00 0.00 60.65 58.31 3ekr s ILE 81 Cb -0.15 -1.74 -0.08 0.00 0.01 0.00 0.00 42.46 40.50 3ekr s ILE 81 CO 0.02 -0.83 1.02 -2.16 0.00 0.00 0.00 174.94 173.00 3ekr s PRO 82 N 0.92 4.70 -0.32 2.79 0.04 -1.24 -1.10 135.00 140.79 3ekr s PRO 82 Ca 0.15 1.61 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 3ekr s PRO 82 Cb -0.22 -3.28 0.10 0.00 0.04 0.00 0.00 34.50 31.14 3ekr s PRO 82 CO -0.09 0.26 0.11 1.21 0.04 0.00 0.00 177.00 178.53 3ekr s ASN 83 N -0.54 3.95 0.36 6.66 3.84 0.12 -1.62 114.94 127.71 3ekr s ASN 83 Ca 0.45 -1.69 0.11 0.00 0.21 0.00 0.00 52.86 51.94 3ekr s ASN 83 Cb -0.28 -0.83 0.67 0.00 -0.55 0.00 0.00 41.25 40.26 3ekr s ASN 83 CO 0.34 -0.41 1.82 0.11 -2.79 0.00 0.00 177.10 176.17 3ekr h LYS 84 N 8.00 0.10 -0.38 0.43 1.57 -1.82 0.21 116.57 124.68 3ekr h LYS 84 Ca -0.13 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.50 3ekr h LYS 84 Cb 1.01 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 3ekr h LYS 84 CO 0.47 0.43 -0.23 1.96 -0.57 0.00 0.00 179.45 181.51 3ekr h GLN 85 N 0.09 0.77 0.00 3.15 4.20 -1.95 -2.79 115.11 118.58 3ekr h GLN 85 Ca 0.01 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.41 3ekr h GLN 85 Cb 0.64 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.38 3ekr h GLN 85 CO 0.05 0.92 -0.65 -0.25 -0.67 0.00 0.00 178.83 178.23 3ekr n ASP 86 N -4.11 0.59 -3.69 1.46 8.00 -1.09 -4.96 116.55 112.76 3ekr n ASP 86 Ca 0.00 -0.28 -0.24 0.00 0.71 0.00 0.00 54.79 54.98 3ekr n ASP 86 Cb 0.44 0.40 0.05 0.00 -0.02 0.00 0.00 41.12 41.99 3ekr n ASP 86 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3ekr n ARG 87 N -1.65 -6.33 -4.87 -1.24 0.63 0.62 -4.89 116.66 98.93 3ekr n ARG 87 Ca 0.05 0.72 -0.29 0.00 -0.92 0.00 0.00 57.85 57.40 3ekr n ARG 87 Cb 0.36 -5.61 -0.15 0.00 0.45 0.00 0.00 32.46 27.52 3ekr n ARG 87 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3ekr s THR 88 N -3.40 1.97 -0.18 5.15 -4.23 -0.56 -1.99 115.64 112.40 3ekr s THR 88 Ca 0.38 -1.29 -0.01 0.00 -1.18 0.00 0.00 61.69 59.59 3ekr s THR 88 Cb -0.18 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 71.98 3ekr s THR 88 CO 0.78 0.34 -0.14 -0.22 -0.54 0.00 0.00 174.62 174.84 3ekr s LEU 89 N -1.14 2.49 -0.11 4.79 2.96 -0.60 0.14 118.68 127.21 3ekr s LEU 89 Ca 0.10 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 3ekr s LEU 89 Cb -0.10 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 3ekr s LEU 89 CO 0.02 0.03 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.08 3ekr s THR 90 N 1.12 3.25 -0.25 3.68 2.01 -0.26 -0.73 115.64 124.47 3ekr s THR 90 Ca 0.01 -0.61 -0.06 0.00 0.31 0.00 0.00 61.69 61.34 3ekr s THR 90 Cb -0.14 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 70.01 3ekr s THR 90 CO -0.05 0.54 0.03 -0.63 -0.69 0.00 0.00 174.62 173.82 3ekr s ILE 91 N -0.04 3.83 -0.08 1.82 1.09 -0.28 -0.19 121.20 127.34 3ekr s ILE 91 Ca -0.02 -0.44 0.01 0.00 -1.10 0.00 0.00 60.65 59.10 3ekr s ILE 91 Cb -0.14 -2.82 -0.02 0.00 -1.06 0.00 0.00 42.46 38.42 3ekr s ILE 91 CO 0.04 0.30 -0.12 -0.69 -0.10 0.00 0.00 174.94 174.38 3ekr s VAL 92 N 1.53 3.26 0.10 2.92 1.01 0.62 -0.74 120.40 129.09 3ekr s VAL 92 Ca 0.05 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.43 3ekr s VAL 92 Cb -0.15 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 3ekr s VAL 92 CO 0.00 0.57 -0.07 1.51 0.00 0.00 0.00 175.10 177.11 3ekr s ASP 93 N -0.36 1.19 -0.53 3.32 1.47 0.01 -0.03 116.67 121.73 3ekr s ASP 93 Ca 0.04 -0.96 0.02 0.00 1.18 0.00 0.00 52.55 52.82 3ekr s ASP 93 Cb -0.12 0.08 0.50 0.00 -0.34 0.00 0.00 42.92 43.03 3ekr s ASP 93 CO 0.02 -0.42 1.83 0.35 0.68 0.00 0.00 175.17 177.63 3ekr n THR 94 N 0.09 3.28 -0.12 2.11 -2.24 -1.12 -1.66 114.28 114.61 3ekr n THR 94 Ca -0.13 -2.92 0.00 0.00 -2.27 0.00 0.00 64.05 58.73 3ekr n THR 94 Cb 0.60 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.89 3ekr n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ekr n GLY 95 N -0.95 -1.79 0.23 3.38 0.00 -1.26 -4.66 105.19 100.14 3ekr n GLY 95 Ca 0.57 -1.48 0.13 0.00 0.00 0.00 0.00 46.02 45.24 3ekr n GLY 95 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ekr h ILE 96 N -0.55 0.14 -0.81 -0.61 2.10 -1.63 -3.15 117.51 113.00 3ekr h ILE 96 Ca 0.00 -0.94 0.08 0.00 1.08 0.00 0.00 64.86 65.08 3ekr h ILE 96 Cb 0.00 1.83 -0.02 0.00 -1.09 0.00 0.00 36.82 37.54 3ekr h ILE 96 CO 0.00 0.07 -0.11 0.61 -1.08 0.00 0.00 178.15 177.64 3ekr n GLY 97 N 0.61 -2.07 3.05 8.18 0.00 -1.26 -4.31 105.19 109.39 3ekr n GLY 97 Ca 0.02 -1.40 -0.22 0.00 0.00 0.00 0.00 46.02 44.42 3ekr n GLY 97 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ekr s MET 98 N -1.01 1.14 0.97 1.61 1.00 -1.26 -4.81 119.30 116.95 3ekr s MET 98 Ca 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 55.69 55.15 3ekr s MET 98 Cb 0.00 -1.06 0.17 0.00 0.00 0.00 0.00 34.83 33.95 3ekr s MET 98 CO 0.00 0.19 1.13 0.95 0.00 0.00 0.00 175.02 177.29 3ekr s THR 99 N -0.00 1.96 0.20 2.05 -4.23 -1.26 -3.96 115.64 110.40 3ekr s THR 99 Ca -0.01 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.41 3ekr s THR 99 Cb -0.08 -2.66 0.15 0.00 1.34 0.00 0.00 72.50 71.25 3ekr s THR 99 CO 0.00 0.00 1.82 0.50 -0.54 0.00 0.00 174.62 176.40 3ekr h LYS 100 N -1.75 1.06 -0.76 3.99 3.64 -1.98 -0.29 116.57 120.48 3ekr h LYS 100 Ca -0.51 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 58.68 3ekr h LYS 100 Cb 1.32 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 3ekr h LYS 100 CO 0.57 0.80 0.26 0.00 -2.27 0.00 0.00 179.45 178.80 3ekr h ALA 101 N 1.20 1.03 -0.31 5.00 0.00 -1.99 -1.91 119.26 122.29 3ekr h ALA 101 Ca 0.26 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3ekr h ALA 101 Cb 0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3ekr h ALA 101 CO -0.04 0.66 0.12 -0.44 0.00 0.00 0.00 179.25 179.55 3ekr h ASP 102 N 1.12 0.15 -0.10 0.00 3.32 -1.72 0.24 116.42 119.43 3ekr h ASP 102 Ca 0.25 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.37 3ekr h ASP 102 Cb 0.27 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 3ekr h ASP 102 CO -0.01 0.12 -0.21 -0.07 -1.72 0.00 0.00 179.24 177.35 3ekr h LEU 103 N 0.27 -0.63 -0.28 1.55 3.38 -0.68 0.20 115.31 119.12 3ekr h LEU 103 Ca 0.14 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 3ekr h LEU 103 Cb 0.09 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3ekr h LEU 103 CO -0.13 -0.26 -0.18 0.40 0.09 0.00 0.00 178.44 178.36 3ekr h ILE 104 N -0.28 1.30 -0.07 1.22 2.04 -1.04 -0.65 117.51 120.02 3ekr h ILE 104 Ca 0.09 -1.31 -0.14 0.00 1.00 0.00 0.00 64.86 64.50 3ekr h ILE 104 Cb 0.41 1.55 0.01 0.00 -0.74 0.00 0.00 36.82 38.04 3ekr h ILE 104 CO -0.26 0.41 -0.49 0.78 0.00 0.00 0.00 178.15 178.60 3ekr h ASN 105 N 0.35 0.56 0.01 1.72 2.35 -0.47 -2.55 115.58 117.54 3ekr h ASN 105 Ca 0.06 -0.67 0.00 0.00 -0.55 0.00 0.00 56.30 55.14 3ekr h ASN 105 Cb 0.72 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.92 3ekr h ASN 105 CO 0.05 1.14 -1.28 0.59 -1.65 0.00 0.00 177.43 176.28 3ekr n ASN 106 N -4.27 0.71 -2.19 5.81 3.02 0.68 -3.06 115.26 115.96 3ekr n ASN 106 Ca -0.09 -0.70 -0.25 0.00 -0.03 0.00 0.00 54.58 53.52 3ekr n ASN 106 Cb 0.60 1.28 0.01 0.00 -0.61 0.00 0.00 39.78 41.06 3ekr n ASN 106 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ekr n LEU 107 N -1.72 4.89 0.00 3.41 4.77 -0.25 -4.95 117.00 123.14 3ekr n LEU 107 Ca 0.02 -4.91 0.00 0.00 -0.03 0.00 0.00 56.01 51.09 3ekr n LEU 107 Cb 0.40 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3ekr n LEU 107 CO 0.44 2.15 0.00 0.61 -1.33 0.00 0.00 177.39 179.26 3ekr n GLY 108 N -0.63 1.75 0.04 -0.72 0.00 -1.24 -4.87 105.19 99.52 3ekr n GLY 108 Ca 0.42 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.38 3ekr n GLY 108 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ekr n THR 109 N 0.00 0.34 -3.80 2.61 -2.24 -0.96 -0.91 114.28 109.32 3ekr n THR 109 Ca 0.00 -0.57 -0.36 0.00 -2.27 0.00 0.00 64.05 60.85 3ekr n THR 109 Cb 0.00 -0.14 -0.13 0.00 -2.10 0.00 0.00 70.33 67.96 3ekr n THR 109 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3ekr s ILE 110 N -3.32 3.97 0.03 2.28 1.01 -1.17 -4.36 121.20 119.65 3ekr s ILE 110 Ca -0.07 -0.38 -0.28 0.00 0.00 0.00 0.00 60.65 59.91 3ekr s ILE 110 Cb 0.12 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 3ekr s ILE 110 CO 0.88 0.30 0.90 0.00 0.00 0.00 0.00 174.94 177.02 3ekr s ALA 111 N 1.55 3.24 0.40 9.38 0.00 -1.26 -4.88 121.76 130.20 3ekr s ALA 111 Ca 0.05 0.45 -0.02 0.00 0.00 0.00 0.00 51.96 52.44 3ekr s ALA 111 Cb -0.15 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 3ekr s ALA 111 CO 0.01 -0.10 0.66 -1.59 0.00 0.00 0.00 175.76 174.74 3ekr s LYS 112 N 0.50 3.52 0.56 0.00 0.00 -1.26 -4.98 119.74 118.09 3ekr s LYS 112 Ca 0.46 -0.07 0.24 0.00 0.00 0.00 0.00 55.97 56.61 3ekr s LYS 112 Cb -0.21 -2.53 1.52 0.00 0.00 0.00 0.00 37.83 36.61 3ekr s LYS 112 CO 0.26 -0.00 2.13 0.66 0.00 0.00 0.00 175.35 178.40 3ekr h SER 113 N 0.58 0.00 0.61 0.03 4.64 -1.97 -1.52 113.55 115.92 3ekr h SER 113 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3ekr h SER 113 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3ekr h SER 113 CO 0.62 0.00 0.00 1.23 -0.87 0.00 0.00 176.83 177.81 3ekr h GLY 114 N 0.00 0.00 0.47 -0.77 0.00 -1.94 -2.67 103.07 98.16 3ekr h GLY 114 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 3ekr h GLY 114 CO -0.00 0.00 -0.15 -0.84 0.00 0.00 0.00 176.54 175.55 3ekr h THR 115 N 0.00 0.45 -0.69 4.70 2.02 -1.49 -0.88 112.91 117.02 3ekr h THR 115 Ca 0.00 -0.77 -0.07 0.00 0.77 0.00 0.00 66.41 66.34 3ekr h THR 115 Cb 0.30 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 3ekr h THR 115 CO 0.00 0.10 0.14 0.50 0.37 0.00 0.00 175.52 176.64 3ekr h LYS 116 N -0.97 1.12 -0.45 6.66 3.64 -1.74 -2.96 116.57 121.87 3ekr h LYS 116 Ca -0.04 -0.29 0.07 0.00 -1.27 0.00 0.00 60.65 59.12 3ekr h LYS 116 Cb 0.50 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.13 3ekr h LYS 116 CO 0.07 1.01 0.13 0.00 -2.27 0.00 0.00 179.45 178.39 3ekr h ALA 117 N 1.07 0.53 -0.26 5.00 0.00 -1.50 -0.15 119.26 123.95 3ekr h ALA 117 Ca 0.21 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3ekr h ALA 117 Cb 0.41 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3ekr h ALA 117 CO 0.01 -0.26 0.15 0.35 0.00 0.00 0.00 179.25 179.49 3ekr h PHE 118 N 0.29 0.36 -0.19 0.00 3.57 -1.04 0.13 116.94 120.05 3ekr h PHE 118 Ca 0.22 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.67 3ekr h PHE 118 Cb 0.24 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3ekr h PHE 118 CO -0.18 0.29 -0.08 0.52 -2.23 0.00 0.00 178.31 176.64 3ekr h MET 119 N 0.32 0.30 -0.57 1.11 2.86 -1.31 -0.20 114.93 117.44 3ekr h MET 119 Ca 0.09 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.59 3ekr h MET 119 Cb 0.05 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3ekr h MET 119 CO -0.02 0.39 0.04 0.93 1.06 0.00 0.00 176.91 179.31 3ekr h GLU 120 N 0.29 0.99 -0.52 1.72 5.08 -0.46 -2.54 114.58 119.13 3ekr h GLU 120 Ca 0.06 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.09 3ekr h GLU 120 Cb 0.32 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3ekr h GLU 120 CO 0.02 0.97 0.17 0.00 -1.00 0.00 0.00 179.01 179.16 3ekr h ALA 121 N 0.98 0.68 -0.60 3.43 0.00 0.62 -1.26 119.26 123.12 3ekr h ALA 121 Ca 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ekr h ALA 121 Cb 0.50 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3ekr h ALA 121 CO 0.02 0.33 0.39 -0.07 0.00 0.00 0.00 179.25 179.93 3ekr h LEU 122 N 0.71 0.70 -1.51 0.00 3.38 -1.05 -0.18 115.31 117.36 3ekr h LEU 122 Ca 0.17 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3ekr h LEU 122 Cb 0.27 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3ekr h LEU 122 CO -0.01 0.52 -0.16 -0.61 0.09 0.00 0.00 178.44 178.27 3ekr h GLN 123 N 0.81 0.00 -0.01 1.13 4.15 -1.23 -1.72 115.11 118.25 3ekr h GLN 123 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.64 3ekr h GLN 123 Cb -0.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.61 3ekr h GLN 123 CO -0.05 0.16 -0.01 0.00 -1.93 0.00 0.00 178.83 177.00 3ekr n ALA 124 N -2.23 2.65 0.00 3.38 0.00 -0.49 -4.89 120.51 118.92 3ekr n ALA 124 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3ekr n ALA 124 Cb 0.34 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3ekr n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ekr n GLY 125 N 1.11 0.95 3.78 0.00 0.00 -0.65 -5.06 105.19 105.33 3ekr n GLY 125 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3ekr n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ekr s ALA 126 N -2.00 1.75 0.07 4.61 0.00 -0.19 -4.98 121.76 121.01 3ekr s ALA 126 Ca 0.00 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.44 3ekr s ALA 126 Cb 0.00 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 3ekr s ALA 126 CO 0.00 -2.33 0.06 0.34 0.00 0.00 0.00 175.76 173.83 3ekr s ASP 127 N -4.04 5.43 0.52 0.00 2.15 -1.26 -4.53 116.67 114.94 3ekr s ASP 127 Ca 0.64 -0.03 0.21 0.00 0.43 0.00 0.00 52.55 53.80 3ekr s ASP 127 Cb -0.14 -1.44 1.31 0.00 -0.30 0.00 0.00 42.92 42.35 3ekr s ASP 127 CO 0.53 0.18 2.05 -0.29 -0.17 0.00 0.00 175.17 177.47 3ekr h ILE 128 N 2.69 0.84 0.00 4.11 6.09 -1.98 -1.00 117.51 128.26 3ekr h ILE 128 Ca -0.47 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.00 3ekr h ILE 128 Cb 1.16 0.80 0.00 0.00 0.47 0.00 0.00 36.82 39.25 3ekr h ILE 128 CO 0.64 0.01 0.01 -1.54 -3.07 0.00 0.00 178.15 174.20 3ekr n SER 129 N -4.44 0.50 -0.24 2.19 3.41 -1.26 -1.05 113.62 112.72 3ekr n SER 129 Ca 0.05 0.73 0.14 0.00 -0.26 0.00 0.00 58.87 59.53 3ekr n SER 129 Cb 0.40 -0.79 0.58 0.00 -0.26 0.00 0.00 64.21 64.15 3ekr n SER 129 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3ekr n MET 130 N -2.18 1.08 -0.25 4.33 2.81 -0.38 -4.38 117.12 118.16 3ekr n MET 130 Ca -0.01 -0.49 0.25 0.00 -1.81 0.00 0.00 57.70 55.64 3ekr n MET 130 Cb 0.04 -1.49 0.61 0.00 -0.71 0.00 0.00 33.22 31.68 3ekr n MET 130 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3ekr h ILE 131 N 1.20 0.57 0.00 2.02 2.10 -1.28 0.73 117.51 122.85 3ekr h ILE 131 Ca 0.00 -0.07 -0.04 0.00 1.08 0.00 0.00 64.86 65.83 3ekr h ILE 131 Cb 0.38 0.34 -0.01 0.00 -1.09 0.00 0.00 36.82 36.44 3ekr h ILE 131 CO 0.00 0.04 -0.18 1.23 -1.08 0.00 0.00 178.15 178.16 3ekr h GLY 132 N 0.21 0.00 2.00 8.18 0.00 -1.84 -2.17 103.07 109.46 3ekr h GLY 132 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 3ekr h GLY 132 CO -0.12 0.00 0.00 1.46 0.00 0.00 0.00 176.54 177.88 3ekr h GLN 133 N 0.00 0.00 -0.22 4.80 4.20 -1.18 -2.70 115.11 120.01 3ekr h GLN 133 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ekr h GLN 133 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 3ekr h GLN 133 CO 0.02 0.00 0.00 1.19 -0.67 0.00 0.00 178.83 179.37 3ekr n PHE 134 N -2.84 0.27 -1.07 2.96 3.01 -0.82 -4.95 117.46 114.02 3ekr n PHE 134 Ca 0.03 -0.14 -0.02 0.00 1.01 0.00 0.00 57.45 58.33 3ekr n PHE 134 Cb 0.40 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.86 3ekr n PHE 134 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ekr n GLY 135 N 1.34 0.57 0.80 1.37 0.00 -1.02 -4.32 105.19 103.94 3ekr n GLY 135 Ca 0.17 -0.65 0.06 0.00 0.00 0.00 0.00 46.02 45.60 3ekr n GLY 135 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3ekr n VAL 136 N -2.88 1.46 0.30 1.61 0.24 -1.22 -4.84 118.33 112.99 3ekr n VAL 136 Ca -0.02 -2.38 0.19 0.00 -2.04 0.00 0.00 64.34 60.08 3ekr n VAL 136 Cb 0.10 0.14 0.93 0.00 -1.47 0.00 0.00 33.84 33.54 3ekr n VAL 136 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3ekr h GLY 137 N 0.86 0.00 0.81 7.63 0.00 -1.86 -2.57 103.07 107.95 3ekr h GLY 137 Ca -0.06 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.34 3ekr h GLY 137 CO 0.03 0.00 0.57 -2.75 0.00 0.00 0.00 176.54 174.39 3ekr h PHE 138 N 0.00 0.98 0.00 5.60 3.57 -1.88 -1.78 116.94 123.43 3ekr h PHE 138 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3ekr h PHE 138 Cb 0.18 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.61 3ekr h PHE 138 CO 0.00 0.48 0.00 0.66 -2.23 0.00 0.00 178.31 177.22 3ekr n TYR 139 N -4.51 0.41 0.21 0.41 4.01 -0.97 -1.76 117.16 114.97 3ekr n TYR 139 Ca 0.14 0.15 0.09 0.00 -0.16 0.00 0.00 57.90 58.12 3ekr n TYR 139 Cb 0.25 -0.75 0.42 0.00 -0.31 0.00 0.00 39.34 38.96 3ekr n TYR 139 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3ekr n SER 140 N -1.87 0.42 -0.09 7.72 3.41 -0.67 -1.90 113.62 120.64 3ekr n SER 140 Ca 0.04 0.66 0.19 0.00 -0.26 0.00 0.00 58.87 59.50 3ekr n SER 140 Cb 0.24 -0.73 0.61 0.00 -0.26 0.00 0.00 64.21 64.06 3ekr n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ekr h ALA 141 N 2.11 2.35 -0.00 7.33 0.00 -1.52 -0.82 119.26 128.71 3ekr h ALA 141 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ekr h ALA 141 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ekr h ALA 141 CO 0.00 -0.54 -0.02 0.66 0.00 0.00 0.00 179.25 179.35 3ekr n TYR 142 N -4.42 0.00 -0.15 0.00 4.01 -0.80 -1.35 117.16 114.46 3ekr n TYR 142 Ca 0.13 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.94 3ekr n TYR 142 Cb 0.61 -0.15 0.38 0.00 -0.31 0.00 0.00 39.34 39.87 3ekr n TYR 142 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3ekr h LEU 143 N 0.17 0.60 0.00 7.72 3.38 -1.34 -3.35 115.31 122.49 3ekr h LEU 143 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ekr h LEU 143 Cb 0.19 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3ekr h LEU 143 CO 0.00 0.39 -0.71 1.33 0.09 0.00 0.00 178.44 179.54 3ekr n VAL 144 N -4.48 0.00 -4.40 1.22 0.24 -0.95 -5.00 118.33 104.97 3ekr n VAL 144 Ca 0.09 -0.13 -0.34 0.00 -2.04 0.00 0.00 64.34 61.93 3ekr n VAL 144 Cb 0.22 0.62 -0.10 0.00 -1.47 0.00 0.00 33.84 33.12 3ekr n VAL 144 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ekr s ALA 145 N -1.68 3.22 -0.13 2.33 0.00 -0.45 -0.25 121.76 124.79 3ekr s ALA 145 Ca 0.00 -0.87 0.17 0.00 0.00 0.00 0.00 51.96 51.26 3ekr s ALA 145 Cb 0.00 -1.39 -0.09 0.00 0.00 0.00 0.00 23.12 21.64 3ekr s ALA 145 CO 0.00 0.60 0.95 1.05 0.00 0.00 0.00 175.76 178.37 3ekr h GLU 146 N 4.93 0.00 -3.37 0.00 4.11 -1.36 -3.41 114.58 115.48 3ekr h GLU 146 Ca -0.50 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 58.73 3ekr h GLU 146 Cb 1.18 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.16 3ekr h GLU 146 CO 0.55 0.31 -0.56 0.21 0.07 0.00 0.00 179.01 179.59 3ekr s LYS 147 N -2.96 0.15 -0.09 1.06 2.20 -1.18 -4.46 119.74 114.47 3ekr s LYS 147 Ca -0.01 0.22 0.05 0.00 -0.36 0.00 0.00 55.97 55.86 3ekr s LYS 147 Cb 0.09 0.04 -0.00 0.00 -1.51 0.00 0.00 37.83 36.44 3ekr s LYS 147 CO 0.80 -0.04 -0.24 0.08 -0.36 0.00 0.00 175.35 175.59 3ekr s VAL 148 N 0.25 2.12 -0.14 4.02 1.01 -0.65 -1.12 120.40 125.89 3ekr s VAL 148 Ca -0.01 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.96 3ekr s VAL 148 Cb -0.03 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 3ekr s VAL 148 CO -0.01 0.56 -0.17 -0.89 0.00 0.00 0.00 175.10 174.59 3ekr s THR 149 N 0.15 2.57 -0.22 3.92 2.01 -0.30 -1.86 115.64 121.91 3ekr s THR 149 Ca -0.13 -0.82 -0.01 0.00 0.31 0.00 0.00 61.69 61.05 3ekr s THR 149 Cb -0.16 -2.06 0.02 0.00 0.01 0.00 0.00 72.50 70.30 3ekr s THR 149 CO 0.07 0.53 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.73 3ekr s VAL 150 N 0.64 2.65 -0.16 3.82 1.01 0.81 0.35 120.40 129.51 3ekr s VAL 150 Ca -0.09 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 60.93 3ekr s VAL 150 Cb -0.16 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 3ekr s VAL 150 CO 0.02 0.37 0.06 -0.63 0.00 0.00 0.00 175.10 174.92 3ekr s ILE 151 N 1.34 4.76 -0.04 2.22 -1.09 0.55 -0.06 121.20 128.88 3ekr s ILE 151 Ca 0.03 -0.05 -0.11 0.00 -2.23 0.00 0.00 60.65 58.29 3ekr s ILE 151 Cb -0.15 -3.12 0.02 0.00 -1.58 0.00 0.00 42.46 37.63 3ekr s ILE 151 CO -0.07 0.50 0.25 0.28 -1.23 0.00 0.00 174.94 174.66 3ekr s THR 152 N 0.06 0.04 -0.07 2.92 -1.32 -0.44 0.54 115.64 117.37 3ekr s THR 152 Ca 0.05 -0.35 -0.03 0.00 -1.21 0.00 0.00 61.69 60.16 3ekr s THR 152 Cb -0.12 -0.47 0.04 0.00 -1.51 0.00 0.00 72.50 70.43 3ekr s THR 152 CO 0.01 -0.19 0.08 -0.75 -2.21 0.00 0.00 174.62 171.55 3ekr s LYS 153 N -0.78 -0.05 0.08 7.08 2.47 0.21 -1.34 119.74 127.41 3ekr s LYS 153 Ca -0.09 0.33 0.05 0.00 -1.56 0.00 0.00 55.97 54.70 3ekr s LYS 153 Cb -0.05 -0.69 -0.04 0.00 -1.46 0.00 0.00 37.83 35.59 3ekr s LYS 153 CO 0.02 -0.38 -0.00 -1.58 0.16 0.00 0.00 175.35 173.57 3ekr s HIS 154 N 2.18 2.99 0.31 4.03 5.65 -1.25 -0.91 115.29 128.29 3ekr s HIS 154 Ca 0.04 -0.02 -0.28 0.00 0.25 0.00 0.00 55.06 55.06 3ekr s HIS 154 Cb -0.13 -1.55 -0.13 0.00 -1.18 0.00 0.00 32.58 29.59 3ekr s HIS 154 CO -0.04 0.48 1.03 0.09 -0.65 0.00 0.00 174.74 175.65 3ekr n ASN 155 N 0.63 1.44 0.00 9.88 3.02 -1.26 -1.46 115.26 127.50 3ekr n ASN 155 Ca -0.11 1.16 0.00 0.00 -0.03 0.00 0.00 54.58 55.60 3ekr n ASN 155 Cb 0.52 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 3ekr n ASN 155 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3ekr n ASP 156 N 1.09 0.00 -4.51 6.41 10.43 -1.26 -4.96 116.55 123.76 3ekr n ASP 156 Ca 0.09 0.00 -0.24 0.00 2.57 0.00 0.00 54.79 57.21 3ekr n ASP 156 Cb 0.33 -1.15 -0.10 0.00 1.84 0.00 0.00 41.12 42.04 3ekr n ASP 156 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 3ekr s ASP 157 N -2.55 3.34 0.82 -2.24 -0.00 -0.53 -5.15 116.67 110.36 3ekr s ASP 157 Ca 0.00 -1.22 -0.12 0.00 -0.00 0.00 0.00 52.55 51.21 3ekr s ASP 157 Cb 0.00 -0.28 0.08 0.00 -0.00 0.00 0.00 42.92 42.73 3ekr s ASP 157 CO 0.00 -0.30 1.11 -0.70 -0.00 0.00 0.00 175.17 175.28 3ekr s GLU 158 N -3.67 1.88 -0.03 8.23 2.12 -1.26 -4.53 118.70 121.44 3ekr s GLU 158 Ca 0.32 0.54 -0.21 0.00 0.36 0.00 0.00 54.97 55.98 3ekr s GLU 158 Cb 0.04 -1.90 -0.05 0.00 0.26 0.00 0.00 34.13 32.48 3ekr s GLU 158 CO 0.15 -1.74 0.62 -1.14 -0.54 0.00 0.00 175.26 172.61 3ekr s GLN 159 N -5.20 4.36 0.17 4.30 0.74 -1.26 -4.41 119.66 118.35 3ekr s GLN 159 Ca 0.61 0.77 0.10 0.00 0.05 0.00 0.00 55.36 56.89 3ekr s GLN 159 Cb -0.14 -3.38 -0.04 0.00 1.10 0.00 0.00 33.01 30.55 3ekr s GLN 159 CO 0.54 0.27 -0.22 0.71 -0.55 0.00 0.00 175.29 176.03 3ekr s TYR 160 N 0.14 2.08 -0.16 1.67 2.02 -0.45 -0.61 117.35 122.04 3ekr s TYR 160 Ca 0.33 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.63 3ekr s TYR 160 Cb -0.18 -1.05 0.01 0.00 -0.40 0.00 0.00 41.96 40.33 3ekr s TYR 160 CO 0.17 0.39 -0.18 0.00 -1.57 0.00 0.00 175.55 174.36 3ekr s ALA 161 N -1.67 2.39 -0.00 3.71 0.00 0.99 -1.33 121.76 125.85 3ekr s ALA 161 Ca 0.17 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 3ekr s ALA 161 Cb -0.08 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 3ekr s ALA 161 CO 0.08 -0.11 0.09 -0.46 0.00 0.00 0.00 175.76 175.36 3ekr s TRP 162 N 0.93 3.31 -0.17 0.00 -0.00 0.91 -1.62 118.94 122.31 3ekr s TRP 162 Ca -0.04 0.22 -0.18 0.00 -0.00 0.00 0.00 56.10 56.11 3ekr s TRP 162 Cb -0.15 -1.74 0.05 0.00 -0.00 0.00 0.00 33.47 31.62 3ekr s TRP 162 CO -0.03 0.56 0.49 -2.00 -0.00 0.00 0.00 176.95 175.97 3ekr s GLU 163 N -1.76 0.61 -0.21 5.86 2.12 -0.45 -0.13 118.70 124.74 3ekr s GLU 163 Ca 0.23 0.62 -0.17 0.00 0.36 0.00 0.00 54.97 56.00 3ekr s GLU 163 Cb -0.12 0.29 0.06 0.00 0.26 0.00 0.00 34.13 34.62 3ekr s GLU 163 CO 0.14 -0.09 0.54 0.45 -0.54 0.00 0.00 175.26 175.76 3ekr s SER 164 N 0.10 -0.59 -0.31 -1.70 0.15 -0.78 -0.30 113.70 110.27 3ekr s SER 164 Ca -0.01 1.10 0.10 0.00 0.70 0.00 0.00 55.95 57.83 3ekr s SER 164 Cb -0.03 1.09 0.74 0.00 -1.71 0.00 0.00 66.02 66.10 3ekr s SER 164 CO 0.01 -0.19 1.78 -1.20 1.20 0.00 0.00 173.24 174.84 3ekr n SER 165 N 3.11 4.86 0.00 5.45 7.64 -1.26 -1.64 113.62 131.78 3ekr n SER 165 Ca -0.15 -3.16 0.00 0.00 1.01 0.00 0.00 58.87 56.57 3ekr n SER 165 Cb 0.56 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 3ekr n SER 165 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ekr n ALA 166 N -0.06 0.00 -1.22 -0.43 0.00 -1.26 -4.87 120.51 112.66 3ekr n ALA 166 Ca 0.39 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.75 3ekr n ALA 166 Cb 1.36 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.77 3ekr n ALA 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ekr n GLY 167 N 0.00 0.91 0.00 0.00 0.00 -1.26 -4.04 105.19 100.81 3ekr n GLY 167 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3ekr n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ekr n GLY 168 N -1.21 1.47 3.25 -0.02 0.00 -1.26 -5.07 105.19 102.36 3ekr n GLY 168 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 3ekr n GLY 168 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ekr s SER 169 N -1.89 0.14 0.07 1.61 1.04 -1.26 -0.85 113.70 112.57 3ekr s SER 169 Ca 0.00 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.54 3ekr s SER 169 Cb 0.00 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 3ekr s SER 169 CO 0.00 -0.80 -0.04 0.72 0.98 0.00 0.00 173.24 174.10 3ekr s PHE 170 N -3.96 0.69 0.16 5.02 -0.12 -0.23 -4.50 117.98 115.05 3ekr s PHE 170 Ca 0.15 -1.02 0.08 0.00 -0.05 0.00 0.00 56.93 56.10 3ekr s PHE 170 Cb 0.05 -0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 41.95 3ekr s PHE 170 CO -0.03 -0.29 -0.09 0.95 -0.05 0.00 0.00 175.22 175.71 3ekr s THR 171 N -3.81 3.27 -0.01 -4.49 -4.23 0.59 -0.83 115.64 106.13 3ekr s THR 171 Ca 0.10 -1.53 0.04 0.00 -1.18 0.00 0.00 61.69 59.13 3ekr s THR 171 Cb 0.07 -2.59 -0.01 0.00 1.34 0.00 0.00 72.50 71.31 3ekr s THR 171 CO -0.07 -0.04 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.14 3ekr s VAL 172 N -1.55 1.07 0.14 2.29 1.01 0.32 -1.35 120.40 122.34 3ekr s VAL 172 Ca 0.24 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 3ekr s VAL 172 Cb -0.10 -0.90 0.04 0.00 0.00 0.00 0.00 36.38 35.43 3ekr s VAL 172 CO 0.15 0.30 0.48 0.00 0.00 0.00 0.00 175.10 176.03 3ekr s ARG 173 N -0.32 1.17 0.30 2.72 1.70 -0.64 -1.07 118.95 122.82 3ekr s ARG 173 Ca 0.05 -0.66 -0.29 0.00 -0.47 0.00 0.00 55.73 54.36 3ekr s ARG 173 Cb -0.05 0.51 -0.10 0.00 -0.57 0.00 0.00 34.95 34.74 3ekr s ARG 173 CO -0.01 -0.48 1.21 0.99 -1.08 0.00 0.00 175.30 175.93 3ekr s THR 174 N -3.80 3.11 -0.16 4.99 2.01 -1.26 -0.01 115.64 120.53 3ekr s THR 174 Ca 0.03 1.11 -0.01 0.00 0.31 0.00 0.00 61.69 63.13 3ekr s THR 174 Cb 0.01 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 3ekr s THR 174 CO -0.11 0.26 -0.11 -0.62 -0.69 0.00 0.00 174.62 173.35 3ekr s ASP 175 N -0.64 4.03 0.00 3.53 2.15 0.22 -4.70 116.67 121.26 3ekr s ASP 175 Ca 0.47 -0.36 0.01 0.00 0.43 0.00 0.00 52.55 53.09 3ekr s ASP 175 Cb -0.36 -1.64 0.01 0.00 -0.30 0.00 0.00 42.92 40.64 3ekr s ASP 175 CO 0.47 0.11 0.70 0.41 -0.17 0.00 0.00 175.17 176.68 3ekr n THR 176 N 3.93 0.36 0.00 1.71 -1.04 -1.26 -4.51 114.28 113.47 3ekr n THR 176 Ca -0.18 -0.68 0.00 0.00 -2.04 0.00 0.00 64.05 61.15 3ekr n THR 176 Cb 0.52 0.83 0.00 0.00 -1.82 0.00 0.00 70.33 69.86 3ekr n THR 176 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ekr n GLY 177 N -0.13 -1.85 3.08 3.41 0.00 -1.26 -4.62 105.19 103.82 3ekr n GLY 177 Ca 0.01 0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3ekr n GLY 177 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ekr s GLU 178 N -0.26 2.59 0.19 1.61 2.12 -1.26 -5.10 118.70 118.59 3ekr s GLU 178 Ca 0.00 -0.93 -0.32 0.00 0.36 0.00 0.00 54.97 54.09 3ekr s GLU 178 Cb 0.00 -2.57 -0.11 0.00 0.26 0.00 0.00 34.13 31.71 3ekr s GLU 178 CO 0.00 -0.33 1.61 -2.14 -0.54 0.00 0.00 175.26 173.86 3ekr s PRO 179 N 1.28 4.18 0.15 4.30 0.02 -1.26 -5.01 135.00 138.67 3ekr s PRO 179 Ca 0.01 2.45 -0.05 0.00 0.02 0.00 0.00 61.00 63.42 3ekr s PRO 179 Cb -0.15 -3.12 -0.06 0.00 0.02 0.00 0.00 34.50 31.19 3ekr s PRO 179 CO -0.10 -0.64 0.40 -1.64 -0.33 0.00 0.00 177.00 174.68 3ekr s MET 180 N 1.00 3.64 0.01 5.54 -1.94 -1.26 -5.02 119.30 121.27 3ekr s MET 180 Ca 0.71 -0.04 -0.25 0.00 -1.71 0.00 0.00 55.69 54.40 3ekr s MET 180 Cb -0.46 -2.83 -0.18 0.00 2.01 0.00 0.00 34.83 33.37 3ekr s MET 180 CO 0.33 0.45 1.38 0.78 -0.01 0.00 0.00 175.02 177.96 3ekr h GLY 181 N 2.83 -0.06 -5.23 -0.03 0.00 -1.95 -3.48 103.07 95.15 3ekr h GLY 181 Ca -0.46 0.02 0.15 0.00 0.00 0.00 0.00 47.33 47.04 3ekr h GLY 181 CO 0.72 -0.02 0.72 -1.60 0.00 0.00 0.00 176.54 176.36 3ekr s ARG 182 N -4.81 0.29 0.00 4.80 3.52 -1.25 -4.85 118.95 116.65 3ekr s ARG 182 Ca -0.15 0.20 0.00 0.00 -0.13 0.00 0.00 55.73 55.65 3ekr s ARG 182 Cb 0.03 0.14 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 3ekr s ARG 182 CO 0.65 -0.06 0.00 0.41 -0.81 0.00 0.00 175.30 175.49 3ekr n GLY 183 N 1.29 0.60 2.90 8.12 0.00 -0.09 -4.32 105.19 113.70 3ekr n GLY 183 Ca -0.08 -2.12 -0.12 0.00 0.00 0.00 0.00 46.02 43.69 3ekr n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ekr s THR 184 N -0.89 -0.01 -0.18 2.61 2.01 -0.66 -0.62 115.64 117.90 3ekr s THR 184 Ca 0.00 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.03 3ekr s THR 184 Cb 0.00 -0.07 0.02 0.00 0.01 0.00 0.00 72.50 72.46 3ekr s THR 184 CO 0.00 0.01 -0.18 -0.75 -0.69 0.00 0.00 174.62 173.01 3ekr s LYS 185 N 0.15 2.78 -0.37 4.92 2.20 0.19 -0.81 119.74 128.80 3ekr s LYS 185 Ca -0.01 -0.78 -0.10 0.00 -0.36 0.00 0.00 55.97 54.71 3ekr s LYS 185 Cb -0.02 -2.47 0.03 0.00 -1.51 0.00 0.00 37.83 33.86 3ekr s LYS 185 CO -0.00 -0.23 0.19 0.08 -0.36 0.00 0.00 175.35 175.02 3ekr s VAL 186 N 1.33 4.49 -0.38 4.02 1.01 0.08 -0.33 120.40 130.62 3ekr s VAL 186 Ca 0.04 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 61.02 3ekr s VAL 186 Cb -0.13 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.76 3ekr s VAL 186 CO -0.12 -0.21 0.31 -0.63 0.00 0.00 0.00 175.10 174.45 3ekr s ILE 187 N 1.54 5.23 -0.39 2.22 1.01 0.15 -1.13 121.20 129.84 3ekr s ILE 187 Ca 0.02 -0.41 -0.18 0.00 0.00 0.00 0.00 60.65 60.08 3ekr s ILE 187 Cb -0.19 -3.87 0.01 0.00 0.01 0.00 0.00 42.46 38.42 3ekr s ILE 187 CO 0.06 -0.21 0.52 -0.76 0.00 0.00 0.00 174.94 174.55 3ekr s LEU 188 N 1.79 4.54 -0.61 2.97 1.43 0.09 -1.15 118.68 127.75 3ekr s LEU 188 Ca 0.07 -0.31 -0.25 0.00 -1.03 0.00 0.00 54.13 52.62 3ekr s LEU 188 Cb -0.18 -2.56 0.05 0.00 0.03 0.00 0.00 46.19 43.53 3ekr s LEU 188 CO 0.11 -0.58 1.02 -1.00 0.23 0.00 0.00 176.35 176.12 3ekr s HIS 189 N 2.42 2.67 0.44 0.29 3.76 -0.28 -1.56 115.29 123.04 3ekr s HIS 189 Ca 0.18 -0.11 -0.23 0.00 -0.15 0.00 0.00 55.06 54.75 3ekr s HIS 189 Cb -0.16 -4.25 -0.08 0.00 1.11 0.00 0.00 32.58 29.20 3ekr s HIS 189 CO 0.15 -1.55 1.07 -0.51 -0.85 0.00 0.00 174.74 173.05 3ekr s LEU 190 N 4.32 4.03 0.70 0.89 1.43 -0.84 -1.09 118.68 128.12 3ekr s LEU 190 Ca 0.30 2.08 -0.16 0.00 -1.03 0.00 0.00 54.13 55.32 3ekr s LEU 190 Cb -0.13 -4.29 0.02 0.00 0.03 0.00 0.00 46.19 41.82 3ekr s LEU 190 CO 0.17 -0.67 1.23 -0.54 0.23 0.00 0.00 176.35 176.77 3ekr s LYS 191 N -2.73 2.29 0.37 1.70 1.02 0.65 -4.59 119.74 118.46 3ekr s LYS 191 Ca 0.62 1.86 0.07 0.00 0.02 0.00 0.00 55.97 58.54 3ekr s LYS 191 Cb -0.22 -1.84 0.80 0.00 -0.52 0.00 0.00 37.83 36.04 3ekr s LYS 191 CO 0.27 -1.74 1.96 1.49 -0.92 0.00 0.00 175.35 176.41 3ekr h GLU 192 N 0.02 0.67 -0.56 1.68 4.81 -1.95 -1.44 114.58 117.81 3ekr h GLU 192 Ca -0.49 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3ekr h GLU 192 Cb 1.31 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3ekr h GLU 192 CO 0.51 0.44 0.00 -0.40 -0.73 0.00 0.00 179.01 178.83 3ekr n ASP 193 N -4.48 3.08 -0.33 1.04 5.75 -1.26 -3.99 116.55 116.36 3ekr n ASP 193 Ca 0.11 -2.11 0.10 0.00 -0.01 0.00 0.00 54.79 52.87 3ekr n ASP 193 Cb 0.26 -0.40 0.18 0.00 -1.03 0.00 0.00 41.12 40.13 3ekr n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ekr n GLN 194 N 0.94 1.79 0.00 0.11 1.13 -0.54 -4.73 117.38 116.07 3ekr n GLN 194 Ca 0.18 -2.67 0.10 0.00 -1.94 0.00 0.00 57.00 52.67 3ekr n GLN 194 Cb 0.53 -1.61 0.52 0.00 0.11 0.00 0.00 30.24 29.78 3ekr n GLN 194 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3ekr n THR 195 N -1.15 0.30 0.26 5.09 -2.24 -1.25 -2.90 114.28 112.39 3ekr n THR 195 Ca 0.18 0.08 0.09 0.00 -2.27 0.00 0.00 64.05 62.13 3ekr n THR 195 Cb 0.72 -0.76 0.67 0.00 -2.10 0.00 0.00 70.33 68.86 3ekr n THR 195 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3ekr h GLU 196 N 0.00 0.00 0.00 -0.78 4.11 -1.93 -1.48 114.58 114.50 3ekr h GLU 196 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3ekr h GLU 196 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3ekr h GLU 196 CO 0.00 0.07 0.00 0.66 0.07 0.00 0.00 179.01 179.81 3ekr n TYR 197 N -4.22 0.00 1.02 2.06 4.01 -1.14 -1.43 117.16 117.45 3ekr n TYR 197 Ca -0.03 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.83 3ekr n TYR 197 Cb 0.15 0.00 0.15 0.00 -0.31 0.00 0.00 39.34 39.34 3ekr n TYR 197 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3ekr n LEU 198 N -0.85 0.73 -4.80 7.72 4.77 -0.56 -4.73 117.00 119.29 3ekr n LEU 198 Ca 0.12 -0.18 -0.39 0.00 -0.03 0.00 0.00 56.01 55.53 3ekr n LEU 198 Cb 0.06 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 3ekr n LEU 198 CO 0.09 0.17 0.29 -1.61 -1.33 0.00 0.00 177.39 175.01 3ekr s GLU 199 N -2.94 4.25 0.21 3.23 0.41 -0.52 -4.87 118.70 118.48 3ekr s GLU 199 Ca 0.12 0.77 -0.10 0.00 -0.41 0.00 0.00 54.97 55.34 3ekr s GLU 199 Cb 0.17 -3.26 0.15 0.00 -1.78 0.00 0.00 34.13 29.41 3ekr s GLU 199 CO 0.72 0.57 1.87 1.49 -0.49 0.00 0.00 175.26 179.43 3ekr h GLU 200 N 4.77 0.99 -0.18 1.61 4.81 -1.92 -1.82 114.58 122.85 3ekr h GLU 200 Ca -0.48 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 58.60 3ekr h GLU 200 Cb 1.21 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 3ekr h GLU 200 CO 0.65 0.66 -0.24 0.07 -0.73 0.00 0.00 179.01 179.42 3ekr h ARG 201 N 1.01 0.32 -0.09 1.92 -0.00 -1.94 -1.05 114.38 114.56 3ekr h ARG 201 Ca 0.27 -0.11 -0.08 0.00 -0.00 0.00 0.00 59.98 60.06 3ekr h ARG 201 Cb -0.10 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 29.84 3ekr h ARG 201 CO -0.06 0.55 -0.27 -0.09 -0.00 0.00 0.00 179.97 180.10 3ekr h ARG 202 N 0.29 0.34 -0.48 0.08 9.65 -1.68 -2.06 114.38 120.53 3ekr h ARG 202 Ca 0.05 -0.25 0.00 0.00 -1.10 0.00 0.00 59.98 58.68 3ekr h ARG 202 Cb 0.59 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.19 3ekr h ARG 202 CO 0.04 0.87 0.30 0.82 2.80 0.00 0.00 179.97 184.80 3ekr h ILE 203 N -0.13 1.14 -0.52 1.20 2.04 -1.19 -2.22 117.51 117.83 3ekr h ILE 203 Ca -0.01 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 3ekr h ILE 203 Cb 0.89 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3ekr h ILE 203 CO 0.06 0.14 0.26 0.11 0.00 0.00 0.00 178.15 178.72 3ekr h LYS 204 N 0.64 0.74 -0.01 2.37 1.57 -1.18 -1.84 116.57 118.86 3ekr h LYS 204 Ca 0.17 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 3ekr h LYS 204 Cb -0.04 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3ekr h LYS 204 CO -0.03 0.60 -0.59 1.05 -0.57 0.00 0.00 179.45 179.90 3ekr h GLU 205 N 0.69 0.02 -0.05 3.15 4.11 -1.18 -1.11 114.58 120.22 3ekr h GLU 205 Ca 0.18 -0.02 -0.22 0.00 0.07 0.00 0.00 59.36 59.37 3ekr h GLU 205 Cb 0.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.35 3ekr h GLU 205 CO -0.03 0.61 -0.87 0.82 0.07 0.00 0.00 179.01 179.61 3ekr h ILE 206 N 0.02 1.35 -0.40 -1.06 2.04 -1.28 -1.30 117.51 116.88 3ekr h ILE 206 Ca -0.01 -2.23 -0.08 0.00 1.00 0.00 0.00 64.86 63.53 3ekr h ILE 206 Cb 1.05 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 39.36 3ekr h ILE 206 CO 0.08 0.68 -0.08 0.58 0.00 0.00 0.00 178.15 179.41 3ekr h VAL 207 N 0.33 1.27 -0.82 1.67 2.07 -1.22 -1.50 116.25 118.06 3ekr h VAL 207 Ca -0.07 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 3ekr h VAL 207 Cb 1.49 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.43 3ekr h VAL 207 CO 0.16 0.39 0.48 0.50 0.02 0.00 0.00 177.57 179.12 3ekr h LYS 208 N 0.57 1.12 -0.08 1.57 3.64 -1.19 -1.17 116.57 121.03 3ekr h LYS 208 Ca 0.10 -0.11 -0.20 0.00 -1.27 0.00 0.00 60.65 59.17 3ekr h LYS 208 Cb 0.60 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3ekr h LYS 208 CO 0.04 0.80 -0.73 -0.22 -2.27 0.00 0.00 179.45 177.07 3ekr h LYS 209 N 1.13 0.63 0.00 1.90 3.64 -1.12 -3.37 116.57 119.38 3ekr h LYS 209 Ca 0.29 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3ekr h LYS 209 Cb -0.02 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3ekr h LYS 209 CO -0.05 1.19 -1.28 0.72 -2.27 0.00 0.00 179.45 177.75 3ekr n HIS 210 N -4.06 0.00 -1.21 1.91 8.25 -0.57 -4.65 115.22 114.89 3ekr n HIS 210 Ca -0.09 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.41 3ekr n HIS 210 Cb 0.72 -0.14 0.21 0.00 1.12 0.00 0.00 29.99 31.90 3ekr n HIS 210 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3ekr n SER 211 N -1.72 2.95 -0.33 0.41 7.64 -0.45 -4.74 113.62 117.39 3ekr n SER 211 Ca -0.01 -3.35 0.18 0.00 1.01 0.00 0.00 58.87 56.69 3ekr n SER 211 Cb 0.16 -0.55 0.42 0.00 -1.01 0.00 0.00 64.21 63.23 3ekr n SER 211 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 3ekr h GLN 212 N 1.12 0.54 -0.42 1.43 5.75 -1.72 -2.72 115.11 119.09 3ekr h GLN 212 Ca 0.08 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3ekr h GLN 212 Cb 1.40 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.83 3ekr h GLN 212 CO 0.22 0.36 0.00 1.19 -2.65 0.00 0.00 178.83 177.95 3ekr n PHE 213 N -4.73 1.40 -2.43 3.99 3.72 -1.26 -4.94 117.46 113.20 3ekr n PHE 213 Ca 0.25 -0.78 -0.42 0.00 -0.05 0.00 0.00 57.45 56.45 3ekr n PHE 213 Cb 0.73 -0.37 -0.03 0.00 -0.94 0.00 0.00 39.48 38.87 3ekr n PHE 213 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3ekr s ILE 214 N -2.62 4.05 -0.35 4.37 -1.09 -1.03 -4.93 121.20 119.60 3ekr s ILE 214 Ca 0.47 1.48 0.02 0.00 -2.23 0.00 0.00 60.65 60.39 3ekr s ILE 214 Cb 0.36 -3.95 0.43 0.00 -1.58 0.00 0.00 42.46 37.72 3ekr s ILE 214 CO 0.13 0.12 1.74 0.61 -1.23 0.00 0.00 174.94 176.31 3ekr n GLY 215 N 3.16 4.01 3.07 6.18 0.00 -1.26 -4.85 105.19 115.50 3ekr n GLY 215 Ca 0.09 -0.97 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 3ekr n GLY 215 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ekr s TYR 216 N -2.39 0.62 0.31 1.61 2.02 -1.26 -5.11 117.35 113.15 3ekr s TYR 216 Ca 0.41 -0.63 -0.29 0.00 -0.37 0.00 0.00 57.07 56.18 3ekr s TYR 216 Cb 0.34 -0.38 -0.12 0.00 -0.40 0.00 0.00 41.96 41.40 3ekr s TYR 216 CO 0.06 -0.14 1.46 -2.30 -1.57 0.00 0.00 175.55 173.05 3ekr n PRO 217 N 1.08 2.42 -4.43 -1.71 -0.02 -1.26 -4.84 135.00 126.25 3ekr n PRO 217 Ca -0.20 0.86 -0.32 0.00 -2.02 0.00 0.00 63.50 61.81 3ekr n PRO 217 Cb 0.56 -2.55 -0.16 0.00 -0.02 0.00 0.00 33.50 31.33 3ekr n PRO 217 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ekr s ILE 218 N -0.53 2.02 -0.04 4.25 1.01 -1.26 -1.01 121.20 125.63 3ekr s ILE 218 Ca 0.60 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 60.36 3ekr s ILE 218 Cb -0.54 -1.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 3ekr s ILE 218 CO 0.56 0.54 -0.19 -0.89 0.00 0.00 0.00 174.94 174.95 3ekr s THR 219 N 1.03 1.58 -0.07 2.92 2.01 -0.02 -5.01 115.64 118.08 3ekr s THR 219 Ca -0.02 -0.80 -0.19 0.00 0.31 0.00 0.00 61.69 60.99 3ekr s THR 219 Cb -0.14 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 70.97 3ekr s THR 219 CO -0.07 0.45 0.52 -0.22 -0.69 0.00 0.00 174.62 174.61 3ekr s LEU 220 N -0.05 4.33 -0.27 4.42 2.96 -1.26 -0.30 118.68 128.52 3ekr s LEU 220 Ca -0.03 0.95 0.02 0.00 -0.22 0.00 0.00 54.13 54.85 3ekr s LEU 220 Cb -0.12 -2.78 0.07 0.00 0.50 0.00 0.00 46.19 43.87 3ekr s LEU 220 CO 0.02 0.05 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.69 3ekr s PHE 221 N 0.28 3.01 -0.34 5.38 0.08 0.02 -4.93 117.98 121.47 3ekr s PHE 221 Ca 0.28 -2.24 -0.29 0.00 0.12 0.00 0.00 56.93 54.80 3ekr s PHE 221 Cb -0.16 -2.00 0.02 0.00 -0.57 0.00 0.00 43.02 40.31 3ekr s PHE 221 CO 0.13 -0.86 1.10 0.08 -0.10 0.00 0.00 175.22 175.57 3ekr s VAL 222 N 1.18 4.44 -0.19 -0.44 1.01 -1.26 -3.68 120.40 121.47 3ekr s VAL 222 Ca -0.03 1.64 -0.13 0.00 0.00 0.00 0.00 61.98 63.46 3ekr s VAL 222 Cb -0.19 -4.42 -0.05 0.00 0.00 0.00 0.00 36.38 31.72 3ekr s VAL 222 CO -0.07 -0.54 0.26 -0.70 0.00 0.00 0.00 175.10 174.04 3ekr s GLU 223 N 3.79 4.20 -0.05 2.72 2.12 -0.64 -5.02 118.70 125.83 3ekr s GLU 223 Ca 0.47 -0.01 -0.01 0.00 0.36 0.00 0.00 54.97 55.77 3ekr s GLU 223 Cb -0.12 -3.46 0.03 0.00 0.26 0.00 0.00 34.13 30.84 3ekr s GLU 223 CO 0.18 0.18 0.03 0.15 -0.54 0.00 0.00 175.26 175.26 3ekr s LYS 224 N 0.68 0.17 0.01 4.30 1.02 -1.26 -4.32 119.74 120.34 3ekr s LYS 224 Ca 0.14 0.26 -0.29 0.00 0.02 0.00 0.00 55.97 56.09 3ekr s LYS 224 Cb -0.13 -0.64 -0.04 0.00 -0.52 0.00 0.00 37.83 36.51 3ekr s LYS 224 CO 0.03 -0.30 0.94 -2.00 -0.92 0.00 0.00 175.35 173.11 3ekr s GLU 225 N 1.95 4.57 0.00 1.68 2.12 -1.26 -5.18 118.70 122.57 3ekr s GLU 225 Ca 0.03 1.36 0.27 0.00 0.36 0.00 0.00 54.97 56.99 3ekr s GLU 225 Cb -0.12 -3.44 0.94 0.00 0.26 0.00 0.00 34.13 31.76 3ekr s GLU 225 CO -0.04 0.01 1.68 1.28 -0.54 0.00 0.00 175.26 177.65