#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ik1 s TYR 2 N 0.00 3.49 0.34 -1.42 2.02 -1.26 -3.00 117.35 117.52 2ik1 s TYR 2 Ca 0.00 0.57 0.03 0.00 -0.37 0.00 0.00 57.07 57.30 2ik1 s TYR 2 Cb 0.00 -2.25 -0.01 0.00 -0.40 0.00 0.00 41.96 39.30 2ik1 s TYR 2 CO 0.00 0.35 0.12 0.25 -1.57 0.00 0.00 175.55 174.70 2ik1 n THR 3 N 3.20 0.00 -4.38 -0.71 -2.24 -0.67 -4.90 114.28 104.57 2ik1 n THR 3 Ca -0.14 -2.00 -0.28 0.00 -2.27 0.00 0.00 64.05 59.36 2ik1 n THR 3 Cb 0.52 0.72 -0.13 0.00 -2.10 0.00 0.00 70.33 69.34 2ik1 n THR 3 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2ik1 s THR 4 N -2.84 2.19 -0.23 4.28 -4.23 -1.26 -0.92 115.64 112.64 2ik1 s THR 4 Ca 0.17 -1.75 0.02 0.00 -1.18 0.00 0.00 61.69 58.95 2ik1 s THR 4 Cb 0.01 -1.95 0.05 0.00 1.34 0.00 0.00 72.50 71.94 2ik1 s THR 4 CO 0.12 0.05 -0.14 -0.60 -0.54 0.00 0.00 174.62 173.52 2ik1 s ARG 5 N -2.09 2.44 -0.19 3.99 3.52 0.17 -4.89 118.95 121.90 2ik1 s ARG 5 Ca 0.14 -1.15 -0.09 0.00 -0.13 0.00 0.00 55.73 54.49 2ik1 s ARG 5 Cb -0.10 -2.75 -0.05 0.00 -1.56 0.00 0.00 34.95 30.49 2ik1 s ARG 5 CO 0.06 -0.45 0.12 -1.14 -0.81 0.00 0.00 175.30 173.08 2ik1 s GLN 6 N 1.18 4.13 -0.23 5.12 0.74 -1.26 -0.98 119.66 128.36 2ik1 s GLN 6 Ca -0.04 -0.24 -0.09 0.00 0.05 0.00 0.00 55.36 55.05 2ik1 s GLN 6 Cb -0.18 -3.38 -0.04 0.00 1.10 0.00 0.00 33.01 30.52 2ik1 s GLN 6 CO -0.08 0.31 0.11 0.42 -0.55 0.00 0.00 175.29 175.50 2ik1 s ILE 7 N 0.31 4.80 0.00 -2.34 -1.09 -0.20 -0.96 121.20 121.72 2ik1 s ILE 7 Ca 0.07 -0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.48 2ik1 s ILE 7 Cb -0.11 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 2ik1 s ILE 7 CO -0.01 0.36 0.00 0.61 -1.23 0.00 0.00 174.94 174.66 2ik1 n GLY 8 N 4.46 -1.43 3.81 6.18 0.00 -0.45 -1.94 105.19 115.82 2ik1 n GLY 8 Ca -0.16 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.23 2ik1 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ik1 s ALA 9 N -1.28 3.70 0.38 4.61 0.00 -1.26 -2.28 121.76 125.62 2ik1 s ALA 9 Ca 0.00 -0.39 -0.25 0.00 0.00 0.00 0.00 51.96 51.32 2ik1 s ALA 9 Cb 0.00 -2.30 -0.12 0.00 0.00 0.00 0.00 23.12 20.70 2ik1 s ALA 9 CO 0.00 0.37 0.94 1.17 0.00 0.00 0.00 175.76 178.24 2ik1 n LYS 10 N 2.48 1.23 -1.83 0.00 4.81 -1.26 -2.80 118.16 120.79 2ik1 n LYS 10 Ca -0.14 0.44 -0.06 0.00 -0.87 0.00 0.00 58.31 57.67 2ik1 n LYS 10 Cb 0.53 -1.91 -0.01 0.00 0.02 0.00 0.00 35.03 33.66 2ik1 n LYS 10 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2ik1 n ASN 11 N 0.81 -2.84 -4.37 3.14 3.02 -1.26 -1.22 115.26 112.54 2ik1 n ASN 11 Ca 0.10 0.04 -0.19 0.00 -0.03 0.00 0.00 54.58 54.50 2ik1 n ASN 11 Cb 0.37 -1.80 -0.10 0.00 -0.61 0.00 0.00 39.78 37.64 2ik1 n ASN 11 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2ik1 s THR 12 N -2.28 1.25 0.25 3.41 -4.23 -1.12 -4.80 115.64 108.12 2ik1 s THR 12 Ca 0.00 -2.06 0.24 0.00 -1.18 0.00 0.00 61.69 58.69 2ik1 s THR 12 Cb 0.00 -2.41 0.24 0.00 1.34 0.00 0.00 72.50 71.67 2ik1 s THR 12 CO 0.00 -0.30 1.90 -0.07 -0.54 0.00 0.00 174.62 175.62 2ik1 h LEU 13 N 2.38 0.00 -0.29 4.79 3.38 -1.96 -2.87 115.31 120.74 2ik1 h LEU 13 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2ik1 h LEU 13 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2ik1 h LEU 13 CO 0.66 0.21 0.00 -0.33 0.09 0.00 0.00 178.44 179.07 2ik1 h GLU 14 N 0.00 0.00 -6.54 1.13 3.07 -1.92 -3.47 114.58 106.85 2ik1 h GLU 14 Ca -0.00 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.30 2ik1 h GLU 14 Cb 0.61 0.00 0.05 0.00 -0.84 0.00 0.00 28.75 28.57 2ik1 h GLU 14 CO 0.03 0.00 0.96 0.98 -1.40 0.00 0.00 179.01 179.58 2ik1 n TYR 15 N -2.81 2.52 -3.87 4.33 9.36 -1.09 -4.56 117.16 121.04 2ik1 n TYR 15 Ca 0.04 0.08 -0.11 0.00 3.32 0.00 0.00 57.90 61.22 2ik1 n TYR 15 Cb 0.45 -2.64 -0.12 0.00 -0.63 0.00 0.00 39.34 36.40 2ik1 n TYR 15 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2ik1 s LYS 16 N 1.66 0.25 -0.15 2.98 1.02 -0.82 -4.46 119.74 120.22 2ik1 s LYS 16 Ca 0.79 -0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.66 2ik1 s LYS 16 Cb -0.58 0.11 0.03 0.00 -0.52 0.00 0.00 37.83 36.87 2ik1 s LYS 16 CO 0.37 -0.05 -0.10 0.08 -0.92 0.00 0.00 175.35 174.73 2ik1 s VAL 17 N -0.58 1.35 -0.00 3.17 1.01 -0.02 -1.03 120.40 124.29 2ik1 s VAL 17 Ca -0.07 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 2ik1 s VAL 17 Cb -0.04 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 2ik1 s VAL 17 CO 0.00 0.31 0.24 -0.31 0.00 0.00 0.00 175.10 175.34 2ik1 s TYR 18 N 1.56 3.57 -0.00 5.22 1.51 -0.15 -0.33 117.35 128.73 2ik1 s TYR 18 Ca 0.03 0.52 -0.21 0.00 -1.01 0.00 0.00 57.07 56.40 2ik1 s TYR 18 Cb -0.14 -1.95 -0.05 0.00 -0.11 0.00 0.00 41.96 39.71 2ik1 s TYR 18 CO -0.09 0.63 0.60 0.42 -1.11 0.00 0.00 175.55 176.00 2ik1 s ILE 19 N -1.29 4.90 0.03 2.71 1.01 -1.26 -0.65 121.20 126.65 2ik1 s ILE 19 Ca 0.27 1.26 0.06 0.00 0.00 0.00 0.00 60.65 62.24 2ik1 s ILE 19 Cb -0.13 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 2ik1 s ILE 19 CO 0.16 0.41 -0.15 -1.61 0.00 0.00 0.00 174.94 173.76 2ik1 s GLU 20 N -0.18 2.20 -0.12 2.79 2.02 -0.10 -1.24 118.70 124.08 2ik1 s GLU 20 Ca 0.31 -0.92 0.03 0.00 0.02 0.00 0.00 54.97 54.41 2ik1 s GLU 20 Cb -0.18 -2.27 -0.00 0.00 0.10 0.00 0.00 34.13 31.77 2ik1 s GLU 20 CO 0.17 0.55 -0.21 0.21 0.02 0.00 0.00 175.26 176.00 2ik1 s LYS 21 N -1.47 3.11 -1.46 1.61 2.20 -0.41 -1.67 119.74 121.64 2ik1 s LYS 21 Ca 0.16 -0.84 -0.09 0.00 -0.36 0.00 0.00 55.97 54.84 2ik1 s LYS 21 Cb -0.11 -2.40 0.04 0.00 -1.51 0.00 0.00 37.83 33.86 2ik1 s LYS 21 CO 0.06 0.14 0.79 -0.25 -0.36 0.00 0.00 175.35 175.74 2ik1 n ASP 22 N 3.66 -5.35 0.00 1.43 8.00 -1.16 -2.09 116.55 121.03 2ik1 n ASP 22 Ca -0.19 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 54.83 2ik1 n ASP 22 Cb 0.53 -4.30 0.00 0.00 -0.02 0.00 0.00 41.12 37.33 2ik1 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ik1 n GLY 23 N -1.59 0.36 3.16 0.44 0.00 -1.26 -5.01 105.19 101.29 2ik1 n GLY 23 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 2ik1 n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ik1 s LYS 24 N -0.59 2.35 0.36 1.61 1.02 -0.89 -5.03 119.74 118.58 2ik1 s LYS 24 Ca 0.00 -0.70 -0.28 0.00 0.02 0.00 0.00 55.97 55.00 2ik1 s LYS 24 Cb 0.00 -1.88 -0.11 0.00 -0.52 0.00 0.00 37.83 35.32 2ik1 s LYS 24 CO 0.00 0.19 1.51 -2.14 -0.92 0.00 0.00 175.35 173.98 2ik1 s PRO 25 N 0.28 4.11 0.33 -1.68 0.02 -1.26 -1.29 135.00 135.51 2ik1 s PRO 25 Ca -0.12 2.57 0.07 0.00 0.02 0.00 0.00 61.00 63.53 2ik1 s PRO 25 Cb -0.15 -2.98 -0.07 0.00 0.02 0.00 0.00 34.50 31.32 2ik1 s PRO 25 CO 0.05 -0.55 -0.03 0.14 -0.33 0.00 0.00 177.00 176.29 2ik1 s VAL 26 N -0.90 1.76 -0.03 3.83 -7.23 -0.37 -4.57 120.40 112.89 2ik1 s VAL 26 Ca 0.55 -2.09 -0.30 0.00 -1.81 0.00 0.00 61.98 58.33 2ik1 s VAL 26 Cb -0.47 -2.69 -0.05 0.00 0.56 0.00 0.00 36.38 33.73 2ik1 s VAL 26 CO 0.60 -0.15 1.47 -0.55 -0.31 0.00 0.00 175.10 176.16 2ik1 s SER 27 N -3.55 6.80 0.54 4.85 0.15 -1.26 -4.38 113.70 116.86 2ik1 s SER 27 Ca 0.33 2.11 0.34 0.00 0.70 0.00 0.00 55.95 59.43 2ik1 s SER 27 Cb 0.06 -2.55 1.51 0.00 -1.71 0.00 0.00 66.02 63.33 2ik1 s SER 27 CO 0.15 -0.79 2.02 0.00 1.20 0.00 0.00 173.24 175.82 2ik1 h ALA 28 N 8.39 1.00 0.03 5.45 0.00 -1.65 -1.48 119.26 131.01 2ik1 h ALA 28 Ca -0.37 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.31 2ik1 h ALA 28 Cb 1.17 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2ik1 h ALA 28 CO 0.93 0.00 -1.23 0.35 0.00 0.00 0.00 179.25 179.30 2ik1 h PHE 29 N 0.00 0.13 0.00 0.00 3.04 -1.82 -3.44 116.94 114.85 2ik1 h PHE 29 Ca 0.00 -0.09 -0.13 0.00 3.98 0.00 0.00 57.97 61.72 2ik1 h PHE 29 Cb 0.41 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.89 2ik1 h PHE 29 CO 0.00 1.48 -1.75 0.72 -2.02 0.00 0.00 178.31 176.74 2ik1 n HIS 30 N -4.26 0.00 0.91 0.41 -0.00 -1.20 -0.44 115.22 110.64 2ik1 n HIS 30 Ca -0.28 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.54 2ik1 n HIS 30 Cb 0.74 -0.49 -0.11 0.00 -0.00 0.00 0.00 29.99 30.13 2ik1 n HIS 30 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2ik1 n ASP 31 N -2.26 0.90 -4.64 0.41 8.00 -0.56 -4.75 116.55 113.64 2ik1 n ASP 31 Ca -0.13 -0.88 -0.40 0.00 0.71 0.00 0.00 54.79 54.09 2ik1 n ASP 31 Cb 0.68 1.05 -0.07 0.00 -0.02 0.00 0.00 41.12 42.76 2ik1 n ASP 31 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ik1 s ILE 32 N -3.04 5.07 0.36 0.53 1.01 -1.24 -4.95 121.20 118.94 2ik1 s ILE 32 Ca 0.07 0.97 -0.28 0.00 0.00 0.00 0.00 60.65 61.41 2ik1 s ILE 32 Cb 0.16 -3.86 -0.11 0.00 0.01 0.00 0.00 42.46 38.66 2ik1 s ILE 32 CO 0.87 0.12 1.48 -2.84 0.00 0.00 0.00 174.94 174.57 2ik1 s PRO 33 N 1.98 4.14 0.21 2.79 0.02 -1.26 -4.41 135.00 138.48 2ik1 s PRO 33 Ca 0.24 2.53 -0.09 0.00 0.02 0.00 0.00 61.00 63.69 2ik1 s PRO 33 Cb -0.16 -2.99 0.27 0.00 0.02 0.00 0.00 34.50 31.65 2ik1 s PRO 33 CO 0.09 -0.50 1.77 1.25 -0.33 0.00 0.00 177.00 179.28 2ik1 h LEU 34 N 3.29 0.37 -9.19 -5.54 5.85 -1.90 -3.38 115.31 104.81 2ik1 h LEU 34 Ca -0.50 0.06 -0.61 0.00 0.84 0.00 0.00 57.88 57.67 2ik1 h LEU 34 Cb 1.24 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.13 2ik1 h LEU 34 CO 0.66 0.22 -0.52 -0.31 -0.34 0.00 0.00 178.44 178.15 2ik1 s TYR 35 N -6.09 3.33 0.08 1.25 2.02 -1.26 -0.88 117.35 115.80 2ik1 s TYR 35 Ca -0.13 0.21 -0.03 0.00 -0.37 0.00 0.00 57.07 56.75 2ik1 s TYR 35 Cb 0.17 -2.12 -0.27 0.00 -0.40 0.00 0.00 41.96 39.33 2ik1 s TYR 35 CO 0.75 0.23 1.16 0.00 -1.57 0.00 0.00 175.55 176.12 2ik1 h ALA 36 N 6.67 0.13 -1.82 3.71 0.00 -0.98 -3.44 119.26 123.53 2ik1 h ALA 36 Ca -0.39 -0.89 -0.28 0.00 0.00 0.00 0.00 54.91 53.34 2ik1 h ALA 36 Cb 1.16 -0.01 -0.29 0.00 0.00 0.00 0.00 17.79 18.64 2ik1 h ALA 36 CO 0.73 1.01 -0.61 0.34 0.00 0.00 0.00 179.25 180.72 2ik1 s ASP 37 N -7.09 0.77 0.15 0.00 -1.08 -0.74 -5.02 116.67 103.66 2ik1 s ASP 37 Ca -0.03 -1.05 -0.17 0.00 -0.52 0.00 0.00 52.55 50.78 2ik1 s ASP 37 Cb 0.07 0.84 0.00 0.00 -1.46 0.00 0.00 42.92 42.38 2ik1 s ASP 37 CO 0.88 -0.30 1.81 0.50 0.52 0.00 0.00 175.17 178.57 2ik1 h LYS 38 N 7.54 0.47 -0.17 4.34 1.63 -1.85 -1.25 116.57 127.28 2ik1 h LYS 38 Ca -0.01 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.78 2ik1 h LYS 38 Cb 1.09 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.60 2ik1 h LYS 38 CO 0.23 0.31 0.11 1.49 -3.45 0.00 0.00 179.45 178.15 2ik1 h GLU 39 N 0.49 0.14 -0.40 1.90 4.57 -1.97 -2.11 114.58 117.19 2ik1 h GLU 39 Ca 0.14 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 2ik1 h GLU 39 Cb -0.04 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 2ik1 h GLU 39 CO -0.04 0.09 0.00 0.09 -1.18 0.00 0.00 179.01 177.97 2ik1 n ASN 40 N -4.51 3.50 -3.85 1.04 3.02 -1.10 -4.98 115.26 108.39 2ik1 n ASN 40 Ca 0.00 -2.30 -0.29 0.00 -0.03 0.00 0.00 54.58 51.96 2ik1 n ASN 40 Cb 0.14 -0.37 0.04 0.00 -0.61 0.00 0.00 39.78 38.98 2ik1 n ASN 40 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2ik1 n ASN 41 N 0.46 -5.18 -4.64 6.41 3.02 -0.71 -4.96 115.26 109.65 2ik1 n ASN 41 Ca 0.17 -0.73 -0.39 0.00 -0.03 0.00 0.00 54.58 53.60 2ik1 n ASN 41 Cb 0.62 -4.14 -0.07 0.00 -0.61 0.00 0.00 39.78 35.58 2ik1 n ASN 41 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2ik1 s ILE 42 N -3.30 5.10 0.05 2.41 -1.09 -0.55 -4.45 121.20 119.36 2ik1 s ILE 42 Ca 0.65 0.90 0.01 0.00 -2.23 0.00 0.00 60.65 59.98 2ik1 s ILE 42 Cb -0.32 -3.83 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 2ik1 s ILE 42 CO 0.81 0.14 0.12 -0.36 -1.23 0.00 0.00 174.94 174.42 2ik1 s PHE 43 N 1.92 3.33 -0.06 3.97 0.40 -0.19 -0.43 117.98 126.93 2ik1 s PHE 43 Ca 0.22 0.18 -0.26 0.00 -0.60 0.00 0.00 56.93 56.47 2ik1 s PHE 43 Cb -0.15 -1.70 -0.03 0.00 0.51 0.00 0.00 43.02 41.64 2ik1 s PHE 43 CO 0.09 0.56 0.84 -0.80 0.70 0.00 0.00 175.22 176.61 2ik1 s ASN 44 N -2.22 7.14 -0.15 1.36 0.01 -0.06 -1.21 114.94 119.81 2ik1 s ASN 44 Ca 0.29 1.38 -0.02 0.00 -0.71 0.00 0.00 52.86 53.80 2ik1 s ASN 44 Cb -0.12 -2.49 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 2ik1 s ASN 44 CO 0.21 -0.23 -0.08 -0.32 -1.51 0.00 0.00 177.10 175.18 2ik1 s MET 45 N 1.14 3.55 -0.31 -0.60 -2.45 0.41 -4.27 119.30 116.76 2ik1 s MET 45 Ca 0.44 -0.59 -0.21 0.00 -1.25 0.00 0.00 55.69 54.08 2ik1 s MET 45 Cb -0.19 -2.80 -0.01 0.00 1.25 0.00 0.00 34.83 33.09 2ik1 s MET 45 CO 0.21 0.23 0.64 0.08 1.05 0.00 0.00 175.02 177.23 2ik1 s VAL 46 N 0.37 4.92 0.03 10.11 1.01 -0.32 -1.44 120.40 135.08 2ik1 s VAL 46 Ca -0.07 0.86 -0.26 0.00 0.00 0.00 0.00 61.98 62.51 2ik1 s VAL 46 Cb -0.15 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 2ik1 s VAL 46 CO 0.04 -0.17 0.80 -0.69 0.00 0.00 0.00 175.10 175.08 2ik1 s VAL 47 N 2.65 4.78 -0.18 2.92 1.01 0.34 -1.68 120.40 130.24 2ik1 s VAL 47 Ca 0.26 1.69 -0.09 0.00 0.00 0.00 0.00 61.98 63.84 2ik1 s VAL 47 Cb -0.15 -4.15 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 2ik1 s VAL 47 CO 0.12 0.32 -0.23 -0.62 0.00 0.00 0.00 175.10 174.69 2ik1 n GLU 48 N 3.09 0.38 -3.89 2.72 1.02 0.01 -1.01 120.64 122.96 2ik1 n GLU 48 Ca -0.01 0.17 -0.29 0.00 -0.02 0.00 0.00 57.16 57.01 2ik1 n GLU 48 Cb 0.50 -1.14 -0.16 0.00 -0.02 0.00 0.00 31.44 30.62 2ik1 n GLU 48 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2ik1 s ILE 49 N -2.33 1.19 0.64 -3.67 1.01 -0.37 -4.52 121.20 113.15 2ik1 s ILE 49 Ca -0.25 -0.86 -0.17 0.00 0.00 0.00 0.00 60.65 59.37 2ik1 s ILE 49 Cb 0.10 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 2ik1 s ILE 49 CO 0.32 -0.02 1.20 -2.84 0.00 0.00 0.00 174.94 173.60 2ik1 s PRO 50 N 1.57 2.70 0.31 2.79 0.02 -1.26 -0.84 135.00 140.29 2ik1 s PRO 50 Ca -0.02 1.78 -0.29 0.00 0.02 0.00 0.00 61.00 62.49 2ik1 s PRO 50 Cb -0.17 -1.90 -0.13 0.00 0.02 0.00 0.00 34.50 32.33 2ik1 s PRO 50 CO -0.07 -1.41 1.35 -2.13 -0.33 0.00 0.00 177.00 174.41 2ik1 n ARG 51 N -2.00 2.15 -1.16 5.54 0.63 -1.21 -2.45 116.66 118.16 2ik1 n ARG 51 Ca 0.13 0.76 -0.06 0.00 -0.92 0.00 0.00 57.85 57.77 2ik1 n ARG 51 Cb 0.50 -2.38 -0.02 0.00 0.45 0.00 0.00 32.46 31.00 2ik1 n ARG 51 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 2ik1 n TRP 52 N 0.95 0.00 -3.52 -0.14 8.01 0.98 -4.95 117.44 118.76 2ik1 n TRP 52 Ca 0.07 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 56.04 2ik1 n TRP 52 Cb 0.35 -1.34 -0.01 0.00 -2.01 0.00 0.00 31.31 28.30 2ik1 n TRP 52 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 2ik1 s THR 53 N -2.16 2.40 0.00 -0.99 -4.23 -1.03 -4.68 115.64 104.96 2ik1 s THR 53 Ca 0.00 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 2ik1 s THR 53 Cb 0.00 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 71.13 2ik1 s THR 53 CO 0.00 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 174.67 2ik1 n ASN 54 N -1.71 4.33 -4.72 3.99 3.02 -1.26 -1.64 115.26 117.28 2ik1 n ASN 54 Ca 0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.17 2ik1 n ASN 54 Cb 0.62 0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 40.20 2ik1 n ASN 54 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ik1 s ALA 55 N -1.86 3.86 -1.18 5.41 0.00 -1.26 -0.58 121.76 126.15 2ik1 s ALA 55 Ca 0.00 1.50 -0.14 0.00 0.00 0.00 0.00 51.96 53.32 2ik1 s ALA 55 Cb 0.00 -3.66 0.16 0.00 0.00 0.00 0.00 23.12 19.62 2ik1 s ALA 55 CO 0.00 -0.87 1.41 0.21 0.00 0.00 0.00 175.76 176.52 2ik1 s LYS 56 N 1.05 4.04 -0.05 0.00 2.47 -0.70 -4.87 119.74 121.68 2ik1 s LYS 56 Ca 0.72 -2.48 -0.17 0.00 -1.56 0.00 0.00 55.97 52.48 2ik1 s LYS 56 Cb -0.47 -5.07 -0.05 0.00 -1.46 0.00 0.00 37.83 30.78 2ik1 s LYS 56 CO 0.33 -1.79 0.46 -0.51 0.16 0.00 0.00 175.35 174.00 2ik1 s LEU 57 N 1.79 4.38 -0.04 5.43 1.43 -1.26 -0.95 118.68 129.45 2ik1 s LEU 57 Ca 0.42 0.92 -0.03 0.00 -1.03 0.00 0.00 54.13 54.42 2ik1 s LEU 57 Cb -0.03 -2.67 0.02 0.00 0.03 0.00 0.00 46.19 43.54 2ik1 s LEU 57 CO -0.01 0.16 0.10 -1.61 0.23 0.00 0.00 176.35 175.22 2ik1 s GLU 58 N -0.23 0.08 -0.06 1.70 2.02 -0.78 -4.62 118.70 116.81 2ik1 s GLU 58 Ca 0.25 0.21 -0.37 0.00 0.02 0.00 0.00 54.97 55.08 2ik1 s GLU 58 Cb -0.16 -0.07 -0.16 0.00 0.10 0.00 0.00 34.13 33.85 2ik1 s GLU 58 CO 0.12 -0.08 1.56 -0.89 0.02 0.00 0.00 175.26 175.99 2ik1 n ILE 59 N 3.57 0.17 -3.10 -1.63 5.41 -1.26 -1.56 119.36 120.96 2ik1 n ILE 59 Ca -0.19 -0.03 -0.43 0.00 1.00 0.00 0.00 62.75 63.10 2ik1 n ILE 59 Cb 0.56 -1.14 -0.06 0.00 -0.71 0.00 0.00 39.64 38.28 2ik1 n ILE 59 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2ik1 s THR 60 N 1.99 4.79 0.34 1.39 2.01 -0.14 -4.91 115.64 121.10 2ik1 s THR 60 Ca 0.90 -0.12 0.15 0.00 0.31 0.00 0.00 61.69 62.92 2ik1 s THR 60 Cb -0.94 -4.29 0.11 0.00 0.01 0.00 0.00 72.50 67.39 2ik1 s THR 60 CO 0.53 -0.75 1.82 0.11 -0.69 0.00 0.00 174.62 175.64 2ik1 h LYS 61 N 8.98 0.00 -0.32 4.92 1.57 -1.91 -3.12 116.57 126.69 2ik1 h LYS 61 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2ik1 h LYS 61 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2ik1 h LYS 61 CO 0.95 0.37 0.00 0.39 -0.57 0.00 0.00 179.45 180.58 2ik1 n GLU 62 N -3.94 2.38 -4.56 3.15 4.71 -1.26 -0.48 120.64 120.64 2ik1 n GLU 62 Ca -0.02 -2.07 -0.32 0.00 -0.01 0.00 0.00 57.16 54.74 2ik1 n GLU 62 Cb 0.42 -1.49 -0.11 0.00 -1.01 0.00 0.00 31.44 29.25 2ik1 n GLU 62 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2ik1 s GLU 63 N -1.59 2.53 0.18 3.49 2.56 -1.18 -4.58 118.70 120.11 2ik1 s GLU 63 Ca 0.37 -0.72 -0.32 0.00 0.00 0.00 0.00 54.97 54.30 2ik1 s GLU 63 Cb 0.22 -2.47 -0.11 0.00 2.00 0.00 0.00 34.13 33.77 2ik1 s GLU 63 CO 0.31 0.61 1.70 0.99 -0.56 0.00 0.00 175.26 178.31 2ik1 s THR 64 N -0.93 2.27 0.00 -1.70 2.01 -1.26 -0.83 115.64 115.21 2ik1 s THR 64 Ca 0.15 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.29 2ik1 s THR 64 Cb -0.11 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.31 2ik1 s THR 64 CO 0.05 0.01 0.00 0.18 -0.69 0.00 0.00 174.62 174.17 2ik1 n LEU 65 N 4.30 0.78 -3.65 4.42 4.77 -1.26 -4.42 117.00 121.93 2ik1 n LEU 65 Ca 0.16 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.91 2ik1 n LEU 65 Cb 0.37 -1.96 0.04 0.00 -2.33 0.00 0.00 43.42 39.54 2ik1 n LEU 65 CO 0.64 -0.73 -0.07 0.59 -1.33 0.00 0.00 177.39 176.48 2ik1 n ASN 66 N -0.69 -2.73 -4.73 -1.43 4.13 -0.01 -2.40 115.26 107.41 2ik1 n ASN 66 Ca 0.00 -0.86 -0.32 0.00 1.68 0.00 0.00 54.58 55.08 2ik1 n ASN 66 Cb 0.35 -3.99 0.11 0.00 -1.54 0.00 0.00 39.78 34.71 2ik1 n ASN 66 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2ik1 s PRO 67 N -5.81 1.89 -0.17 3.52 0.04 -1.26 -3.82 135.00 129.39 2ik1 s PRO 67 Ca 0.17 1.47 -0.27 0.00 0.04 0.00 0.00 61.00 62.41 2ik1 s PRO 67 Cb -0.05 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 2ik1 s PRO 67 CO 0.82 -1.96 0.89 0.42 0.04 0.00 0.00 177.00 177.21 2ik1 s ILE 68 N -2.51 4.83 0.07 0.56 1.01 0.55 -0.96 121.20 124.75 2ik1 s ILE 68 Ca 0.67 1.76 0.04 0.00 0.00 0.00 0.00 60.65 63.13 2ik1 s ILE 68 Cb -0.22 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.02 2ik1 s ILE 68 CO 0.52 -0.01 -0.12 -0.63 0.00 0.00 0.00 174.94 174.70 2ik1 s ILE 69 N 2.30 0.98 0.13 2.92 1.01 -0.60 -0.84 121.20 127.10 2ik1 s ILE 69 Ca 0.41 -1.32 -0.30 0.00 0.00 0.00 0.00 60.65 59.44 2ik1 s ILE 69 Cb -0.17 -1.03 -0.07 0.00 0.01 0.00 0.00 42.46 41.20 2ik1 s ILE 69 CO 0.12 -0.31 1.19 -1.58 0.00 0.00 0.00 174.94 174.37 2ik1 s GLN 70 N -1.88 4.48 0.75 2.79 0.74 -1.26 -1.87 119.66 123.40 2ik1 s GLN 70 Ca -0.02 1.82 -0.13 0.00 0.05 0.00 0.00 55.36 57.08 2ik1 s GLN 70 Cb -0.09 -3.28 0.05 0.00 1.10 0.00 0.00 33.01 30.79 2ik1 s GLN 70 CO 0.02 -0.14 1.14 0.34 -0.55 0.00 0.00 175.29 176.10 2ik1 s ASP 71 N 0.48 4.32 0.12 6.67 2.15 -0.13 -4.88 116.67 125.40 2ik1 s ASP 71 Ca 0.55 2.12 0.03 0.00 0.43 0.00 0.00 52.55 55.68 2ik1 s ASP 71 Cb -0.31 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 39.71 2ik1 s ASP 71 CO 0.33 -2.17 -0.09 0.42 -0.17 0.00 0.00 175.17 173.49 2ik1 s THR 72 N -2.38 0.95 -0.06 1.71 -4.23 -1.26 -0.94 115.64 109.42 2ik1 s THR 72 Ca 0.68 -1.89 -0.00 0.00 -1.18 0.00 0.00 61.69 59.30 2ik1 s THR 72 Cb -0.23 -1.64 0.03 0.00 1.34 0.00 0.00 72.50 72.00 2ik1 s THR 72 CO 0.48 -0.73 -0.02 -0.54 -0.54 0.00 0.00 174.62 173.27 2ik1 s LYS 73 N -3.47 0.76 -1.34 3.99 1.02 0.06 -4.78 119.74 115.98 2ik1 s LYS 73 Ca 0.12 0.00 -0.01 0.00 0.02 0.00 0.00 55.97 56.10 2ik1 s LYS 73 Cb 0.02 -0.97 0.01 0.00 -0.52 0.00 0.00 37.83 36.37 2ik1 s LYS 73 CO -0.01 -0.22 0.10 0.36 -0.92 0.00 0.00 175.35 174.66 2ik1 n LYS 74 N 4.72 -2.43 -0.80 1.68 0.00 -1.26 -1.16 118.16 118.92 2ik1 n LYS 74 Ca -0.14 0.74 0.00 0.00 -0.00 0.00 0.00 58.31 58.91 2ik1 n LYS 74 Cb 0.50 -5.40 0.00 0.00 -0.00 0.00 0.00 35.03 30.14 2ik1 n LYS 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ik1 n GLY 75 N -0.97 0.84 3.72 2.58 0.00 -1.26 -5.03 105.19 105.06 2ik1 n GLY 75 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 2ik1 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ik1 s LYS 76 N -0.20 3.03 0.21 1.61 1.02 -0.31 -5.04 119.74 120.06 2ik1 s LYS 76 Ca 0.00 -0.40 -0.32 0.00 0.02 0.00 0.00 55.97 55.26 2ik1 s LYS 76 Cb 0.00 -2.84 -0.14 0.00 -0.52 0.00 0.00 37.83 34.33 2ik1 s LYS 76 CO 0.00 0.70 1.44 1.28 -0.92 0.00 0.00 175.35 177.84 2ik1 n LEU 77 N 1.91 2.97 -4.73 3.17 4.77 -1.26 -0.76 117.00 123.08 2ik1 n LEU 77 Ca -0.18 1.13 -0.36 0.00 -0.03 0.00 0.00 56.01 56.57 2ik1 n LEU 77 Cb 0.54 -1.41 -0.07 0.00 -2.33 0.00 0.00 43.42 40.14 2ik1 n LEU 77 CO 0.31 -0.50 -0.07 -0.60 -1.33 0.00 0.00 177.39 175.20 2ik1 s ARG 78 N -0.03 4.24 -0.03 3.23 3.52 -0.12 -4.80 118.95 124.96 2ik1 s ARG 78 Ca 0.72 -0.01 0.05 0.00 -0.13 0.00 0.00 55.73 56.36 2ik1 s ARG 78 Cb -0.68 -3.43 -0.01 0.00 -1.56 0.00 0.00 34.95 29.28 2ik1 s ARG 78 CO 0.47 0.25 -0.18 -0.06 -0.81 0.00 0.00 175.30 174.97 2ik1 s PHE 79 N 0.45 1.71 0.25 5.12 0.40 -1.26 -1.72 117.98 122.93 2ik1 s PHE 79 Ca 0.14 -0.40 -0.30 0.00 -0.60 0.00 0.00 56.93 55.77 2ik1 s PHE 79 Cb -0.12 -1.13 -0.09 0.00 0.51 0.00 0.00 43.02 42.19 2ik1 s PHE 79 CO 0.02 -0.09 1.06 0.08 0.70 0.00 0.00 175.22 176.99 2ik1 s VAL 80 N -0.22 3.70 0.47 -0.44 1.01 0.26 -4.94 120.40 120.24 2ik1 s VAL 80 Ca 0.02 1.65 -0.09 0.00 0.00 0.00 0.00 61.98 63.57 2ik1 s VAL 80 Cb -0.09 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 2ik1 s VAL 80 CO 0.01 0.37 0.82 -0.13 0.00 0.00 0.00 175.10 176.17 2ik1 s ARG 81 N -1.14 3.66 -0.12 2.72 1.81 -1.26 -4.73 118.95 119.88 2ik1 s ARG 81 Ca 0.45 0.42 -0.29 0.00 -1.72 0.00 0.00 55.73 54.58 2ik1 s ARG 81 Cb -0.30 -2.33 -0.02 0.00 -0.45 0.00 0.00 34.95 31.85 2ik1 s ARG 81 CO 0.38 -0.19 1.16 -0.80 -0.68 0.00 0.00 175.30 175.16 2ik1 s ASN 82 N -3.68 7.06 -0.32 0.23 0.01 -1.24 -4.66 114.94 112.33 2ik1 s ASN 82 Ca 0.50 1.66 -0.02 0.00 -0.71 0.00 0.00 52.86 54.30 2ik1 s ASN 82 Cb -0.10 -2.55 0.06 0.00 0.41 0.00 0.00 41.25 39.07 2ik1 s ASN 82 CO 0.40 -0.62 0.04 0.00 -1.51 0.00 0.00 177.10 175.41 2ik1 n PHE 84 N 4.60 1.53 -0.01 0.00 7.35 0.39 -0.34 117.46 130.98 2ik1 n PHE 84 Ca -0.10 0.61 0.04 0.00 -0.76 0.00 0.00 57.45 57.24 2ik1 n PHE 84 Cb 0.43 -2.33 0.23 0.00 0.35 0.00 0.00 39.48 38.16 2ik1 n PHE 84 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2ik1 n PRO 85 N 1.96 3.12 -3.35 -7.13 -0.04 -1.26 -4.78 135.00 123.52 2ik1 n PRO 85 Ca 0.15 -1.78 -0.28 0.00 -0.04 0.00 0.00 63.50 61.55 2ik1 n PRO 85 Cb 0.25 -1.88 -0.03 0.00 -0.04 0.00 0.00 33.50 31.80 2ik1 n PRO 85 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2ik1 s HIS 86 N -1.96 3.48 -0.34 0.54 3.76 0.54 -5.07 115.29 116.24 2ik1 s HIS 86 Ca 0.31 0.61 0.01 0.00 -0.15 0.00 0.00 55.06 55.84 2ik1 s HIS 86 Cb 0.23 -2.08 0.09 0.00 1.11 0.00 0.00 32.58 31.93 2ik1 s HIS 86 CO 0.10 0.17 0.05 -1.58 -0.85 0.00 0.00 174.74 172.64 2ik1 s HIS 87 N -2.09 3.53 0.00 1.40 2.46 -1.26 -3.38 115.29 115.95 2ik1 s HIS 87 Ca 0.43 -2.51 0.00 0.00 0.47 0.00 0.00 55.06 53.46 2ik1 s HIS 87 Cb -0.11 -2.66 0.00 0.00 -0.13 0.00 0.00 32.58 29.68 2ik1 s HIS 87 CO 0.30 -0.91 0.00 0.41 -2.47 0.00 0.00 174.74 172.07 2ik1 n GLY 88 N 4.45 1.87 3.76 1.59 0.00 -1.26 -4.06 105.19 111.54 2ik1 n GLY 88 Ca -0.04 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 2ik1 n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ik1 s TYR 89 N 0.00 3.58 -1.93 1.61 1.51 -0.65 -4.85 117.35 116.62 2ik1 s TYR 89 Ca 0.00 1.69 0.21 0.00 -1.01 0.00 0.00 57.07 57.96 2ik1 s TYR 89 Cb 0.00 -3.29 0.52 0.00 -0.11 0.00 0.00 41.96 39.08 2ik1 s TYR 89 CO 0.00 -0.56 1.44 0.44 -1.11 0.00 0.00 175.55 175.76 2ik1 n ILE 90 N 1.23 0.84 -4.25 2.71 -5.35 -1.26 -0.02 119.36 113.26 2ik1 n ILE 90 Ca -0.01 -0.92 -0.14 0.00 -0.27 0.00 0.00 62.75 61.41 2ik1 n ILE 90 Cb 0.45 0.65 -0.10 0.00 -1.74 0.00 0.00 39.64 38.90 2ik1 n ILE 90 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 2ik1 s HIS 91 N -1.13 1.24 -0.13 4.28 0.09 -1.26 -4.94 115.29 113.44 2ik1 s HIS 91 Ca 0.41 -0.90 -0.29 0.00 -0.00 0.00 0.00 55.06 54.28 2ik1 s HIS 91 Cb 0.22 -0.68 -0.03 0.00 -0.00 0.00 0.00 32.58 32.09 2ik1 s HIS 91 CO 0.30 -0.07 1.50 -0.80 -0.00 0.00 0.00 174.74 175.67 2ik1 s ASN 92 N -3.17 6.70 -0.15 1.40 0.01 -1.00 -3.34 114.94 115.39 2ik1 s ASN 92 Ca 0.20 1.89 -0.03 0.00 -0.71 0.00 0.00 52.86 54.21 2ik1 s ASN 92 Cb 0.05 -2.53 -0.03 0.00 0.41 0.00 0.00 41.25 39.14 2ik1 s ASN 92 CO 0.02 -0.95 -0.04 0.12 -1.51 0.00 0.00 177.10 174.75 2ik1 s PHE 93 N 4.11 3.03 0.00 2.20 5.36 -0.02 -0.81 117.98 131.85 2ik1 s PHE 93 Ca 0.66 -0.25 0.00 0.00 -0.96 0.00 0.00 56.93 56.38 2ik1 s PHE 93 Cb -0.27 -1.94 0.00 0.00 -0.34 0.00 0.00 43.02 40.47 2ik1 s PHE 93 CO 0.24 0.01 0.00 0.41 -1.46 0.00 0.00 175.22 174.42 2ik1 n GLY 94 N 3.40 2.90 3.12 13.12 0.00 -0.39 -0.81 105.19 126.53 2ik1 n GLY 94 Ca -0.17 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 2ik1 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ik1 s ALA 95 N -1.00 0.06 -0.10 4.61 0.00 -0.67 -0.37 121.76 124.29 2ik1 s ALA 95 Ca 0.00 -0.75 -0.21 0.00 0.00 0.00 0.00 51.96 51.00 2ik1 s ALA 95 Cb 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 2ik1 s ALA 95 CO 0.00 -0.37 0.60 -0.06 0.00 0.00 0.00 175.76 175.93 2ik1 s PHE 96 N -3.21 3.53 0.87 0.00 2.99 -0.87 -1.17 117.98 120.11 2ik1 s PHE 96 Ca 0.00 1.06 -0.11 0.00 0.00 0.00 0.00 56.93 57.88 2ik1 s PHE 96 Cb 0.02 -2.70 0.11 0.00 0.00 0.00 0.00 43.02 40.46 2ik1 s PHE 96 CO -0.07 0.10 1.09 -1.25 -0.00 0.00 0.00 175.22 175.08 2ik1 s PRO 97 N 0.84 1.48 -1.58 0.24 0.04 -1.26 -3.75 135.00 131.01 2ik1 s PRO 97 Ca 0.32 0.82 -0.04 0.00 0.04 0.00 0.00 61.00 62.13 2ik1 s PRO 97 Cb -0.16 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.55 2ik1 s PRO 97 CO 0.14 -2.08 0.56 1.04 0.04 0.00 0.00 177.00 176.70 2ik1 n GLN 98 N -3.77 -4.64 -4.16 4.56 6.02 0.41 -4.31 117.38 111.50 2ik1 n GLN 98 Ca 0.07 0.91 -0.10 0.00 -0.01 0.00 0.00 57.00 57.87 2ik1 n GLN 98 Cb 0.55 -5.76 -0.10 0.00 1.02 0.00 0.00 30.24 25.95 2ik1 n GLN 98 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2ik1 s THR 99 N -3.17 0.57 -0.22 5.09 -4.23 -1.25 -4.21 115.64 108.22 2ik1 s THR 99 Ca 0.28 -1.92 -0.12 0.00 -1.18 0.00 0.00 61.69 58.76 2ik1 s THR 99 Cb -0.13 -1.73 0.07 0.00 1.34 0.00 0.00 72.50 72.06 2ik1 s THR 99 CO 0.35 -0.83 0.54 0.86 -0.54 0.00 0.00 174.62 175.00 2ik1 s TRP 100 N -3.71 -0.84 -0.83 3.99 -0.00 -0.57 -3.87 118.94 113.12 2ik1 s TRP 100 Ca 0.13 1.70 -0.23 0.00 -0.00 0.00 0.00 56.10 57.70 2ik1 s TRP 100 Cb 0.06 0.45 0.06 0.00 -0.00 0.00 0.00 33.47 34.04 2ik1 s TRP 100 CO -0.04 -0.44 1.22 -1.21 -0.00 0.00 0.00 176.95 176.48 2ik1 s GLU 101 N 1.64 3.35 -0.03 5.86 0.41 0.48 -4.52 118.70 125.89 2ik1 s GLU 101 Ca -0.09 -0.89 -0.31 0.00 -0.41 0.00 0.00 54.97 53.27 2ik1 s GLU 101 Cb -0.07 -4.65 -0.09 0.00 -1.78 0.00 0.00 34.13 27.54 2ik1 s GLU 101 CO -0.16 -2.02 2.00 -3.47 -0.49 0.00 0.00 175.26 171.12 2ik1 n ASP 102 N 8.35 3.88 -0.20 -0.19 4.64 -1.26 -1.80 116.55 129.97 2ik1 n ASP 102 Ca 0.13 0.81 0.15 0.00 -1.38 0.00 0.00 54.79 54.50 2ik1 n ASP 102 Cb 0.49 -1.50 0.68 0.00 -1.04 0.00 0.00 41.12 39.75 2ik1 n ASP 102 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2ik1 n PRO 103 N 7.57 1.09 0.00 -0.67 -0.04 -1.26 -1.12 135.00 140.56 2ik1 n PRO 103 Ca 0.22 -0.40 0.11 0.00 -0.04 0.00 0.00 63.50 63.39 2ik1 n PRO 103 Cb 0.39 -1.49 0.06 0.00 -0.04 0.00 0.00 33.50 32.41 2ik1 n PRO 103 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2ik1 n ASN 104 N -0.61 2.49 -4.13 3.54 3.02 -1.26 -4.52 115.26 113.79 2ik1 n ASN 104 Ca 0.19 -1.75 -0.15 0.00 -0.03 0.00 0.00 54.58 52.84 2ik1 n ASN 104 Cb 0.25 0.18 -0.11 0.00 -0.61 0.00 0.00 39.78 39.49 2ik1 n ASN 104 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2ik1 s VAL 105 N -2.01 0.81 -0.08 2.41 -7.23 -1.26 -5.11 120.40 107.93 2ik1 s VAL 105 Ca 0.22 -1.34 -0.28 0.00 -1.81 0.00 0.00 61.98 58.77 2ik1 s VAL 105 Cb 0.18 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 36.10 2ik1 s VAL 105 CO 0.37 -0.42 0.92 -0.55 -0.31 0.00 0.00 175.10 175.11 2ik1 s SER 106 N -1.95 7.19 0.01 4.85 0.15 -1.26 -3.97 113.70 118.72 2ik1 s SER 106 Ca -0.02 1.45 -0.27 0.00 0.70 0.00 0.00 55.95 57.80 2ik1 s SER 106 Cb -0.07 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.68 2ik1 s SER 106 CO 0.00 -0.34 0.85 -1.00 1.20 0.00 0.00 173.24 173.95 2ik1 s HIS 107 N 1.60 3.67 0.24 3.44 3.76 -0.33 -4.83 115.29 122.84 2ik1 s HIS 107 Ca 0.46 1.53 0.32 0.00 -0.15 0.00 0.00 55.06 57.21 2ik1 s HIS 107 Cb -0.19 -2.95 1.42 0.00 1.11 0.00 0.00 32.58 31.97 2ik1 s HIS 107 CO 0.20 0.11 2.01 -1.00 -0.85 0.00 0.00 174.74 175.21 2ik1 h PRO 108 N 6.37 0.00 0.00 8.40 0.13 -1.96 0.24 132.00 145.18 2ik1 h PRO 108 Ca -0.42 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.53 2ik1 h PRO 108 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2ik1 h PRO 108 CO 0.74 0.07 -0.86 0.93 -0.23 0.00 0.00 178.00 178.65 2ik1 h GLU 109 N 0.00 0.00 0.00 0.86 3.07 -1.96 -3.35 114.58 113.20 2ik1 h GLU 109 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2ik1 h GLU 109 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 2ik1 h GLU 109 CO 0.01 0.86 -0.60 0.25 -1.40 0.00 0.00 179.01 178.13 2ik1 n THR 110 N -3.46 0.00 -3.85 1.13 -2.24 -1.11 -4.88 114.28 99.86 2ik1 n THR 110 Ca -0.00 -0.28 -0.29 0.00 -2.27 0.00 0.00 64.05 61.21 2ik1 n THR 110 Cb 0.83 0.77 0.04 0.00 -2.10 0.00 0.00 70.33 69.87 2ik1 n THR 110 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2ik1 n LYS 111 N -1.32 -5.97 -3.90 -0.78 5.02 0.84 -5.01 118.16 107.04 2ik1 n LYS 111 Ca 0.00 0.64 -0.10 0.00 -2.02 0.00 0.00 58.31 56.83 2ik1 n LYS 111 Cb 0.09 -5.55 -0.09 0.00 -0.02 0.00 0.00 35.03 29.45 2ik1 n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ik1 s ALA 112 N -3.32 -0.18 0.76 7.82 0.00 -1.21 -4.86 121.76 120.78 2ik1 s ALA 112 Ca 0.63 -0.39 -0.13 0.00 0.00 0.00 0.00 51.96 52.07 2ik1 s ALA 112 Cb -0.31 0.21 0.05 0.00 0.00 0.00 0.00 23.12 23.07 2ik1 s ALA 112 CO 0.81 -0.28 1.14 0.14 0.00 0.00 0.00 175.76 177.56 2ik1 s VAL 113 N -2.19 2.81 0.72 0.00 -7.23 -1.26 -1.19 120.40 112.07 2ik1 s VAL 113 Ca -0.08 0.33 -0.12 0.00 -1.81 0.00 0.00 61.98 60.29 2ik1 s VAL 113 Cb -0.03 -2.75 0.02 0.00 0.56 0.00 0.00 36.38 34.18 2ik1 s VAL 113 CO -0.02 -0.28 1.08 -0.83 -0.31 0.00 0.00 175.10 174.73 2ik1 s GLY 114 N -2.70 1.79 0.00 2.32 0.00 -0.28 -0.06 107.32 108.40 2ik1 s GLY 114 Ca 0.67 0.27 0.12 0.00 0.00 0.00 0.00 44.72 45.78 2ik1 s GLY 114 CO 0.50 0.60 1.44 2.09 0.00 0.00 0.00 173.10 177.73 2ik1 n ASP 115 N -3.09 0.00 0.00 1.64 5.75 -0.85 -4.14 116.55 115.86 2ik1 n ASP 115 Ca 0.09 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 2ik1 n ASP 115 Cb 0.53 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 2ik1 n ASP 115 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2ik1 n ASN 116 N -0.69 -2.57 -4.72 -1.12 5.15 -0.74 -5.01 115.26 105.57 2ik1 n ASN 116 Ca 0.09 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.83 2ik1 n ASN 116 Cb 0.04 -1.01 -0.07 0.00 -0.53 0.00 0.00 39.78 38.21 2ik1 n ASN 116 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2ik1 s ASP 117 N -2.23 4.54 0.84 1.20 1.01 -1.26 -4.78 116.67 115.99 2ik1 s ASP 117 Ca 0.00 -0.87 -0.13 0.00 0.71 0.00 0.00 52.55 52.25 2ik1 s ASP 117 Cb 0.00 -0.64 0.05 0.00 1.01 0.00 0.00 42.92 43.34 2ik1 s ASP 117 CO 0.00 -0.34 0.84 -0.81 0.21 0.00 0.00 175.17 175.07 2ik1 n PRO 118 N -1.13 0.01 -2.04 8.23 -0.04 -1.25 -0.39 135.00 138.39 2ik1 n PRO 118 Ca -0.03 0.07 -0.41 0.00 -0.04 0.00 0.00 63.50 63.09 2ik1 n PRO 118 Cb 0.62 -2.15 -0.02 0.00 -0.04 0.00 0.00 33.50 31.91 2ik1 n PRO 118 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2ik1 s ILE 119 N -2.20 2.73 0.31 0.52 2.07 -1.26 -4.73 121.20 118.63 2ik1 s ILE 119 Ca 0.67 0.61 -0.16 0.00 -1.41 0.00 0.00 60.65 60.36 2ik1 s ILE 119 Cb -0.28 -3.39 -0.09 0.00 0.13 0.00 0.00 42.46 38.83 2ik1 s ILE 119 CO 0.58 0.10 0.75 -1.81 -1.91 0.00 0.00 174.94 172.64 2ik1 s ASP 120 N 0.34 6.85 -0.05 4.50 1.01 -1.24 -2.05 116.67 126.02 2ik1 s ASP 120 Ca 0.59 1.33 0.02 0.00 0.71 0.00 0.00 52.55 55.20 2ik1 s ASP 120 Cb -0.41 -2.39 0.02 0.00 1.01 0.00 0.00 42.92 41.14 2ik1 s ASP 120 CO 0.43 -0.16 -0.08 -0.69 0.21 0.00 0.00 175.17 174.87 2ik1 s VAL 121 N -1.90 0.83 -0.36 -1.27 1.01 0.50 -1.36 120.40 117.86 2ik1 s VAL 121 Ca 0.52 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 62.12 2ik1 s VAL 121 Cb -0.12 -0.80 0.03 0.00 0.00 0.00 0.00 36.38 35.50 2ik1 s VAL 121 CO 0.18 0.29 0.15 -0.76 0.00 0.00 0.00 175.10 174.96 2ik1 s LEU 122 N 0.80 4.51 -0.25 3.92 1.43 0.65 -1.27 118.68 128.48 2ik1 s LEU 122 Ca -0.13 -1.08 -0.09 0.00 -1.03 0.00 0.00 54.13 51.80 2ik1 s LEU 122 Cb -0.15 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 2ik1 s LEU 122 CO 0.02 -0.36 0.13 -0.70 0.23 0.00 0.00 176.35 175.67 2ik1 s GLU 123 N 1.47 3.86 0.00 1.70 -6.30 0.01 -1.17 118.70 118.28 2ik1 s GLU 123 Ca -0.00 -0.37 0.22 0.00 -2.50 0.00 0.00 54.97 52.31 2ik1 s GLU 123 Cb -0.19 -3.46 0.50 0.00 0.00 0.00 0.00 34.13 30.98 2ik1 s GLU 123 CO 0.05 -0.09 1.43 0.44 0.02 0.00 0.00 175.26 177.11 2ik1 n ILE 124 N 4.71 0.75 -1.13 -3.70 -5.35 -0.51 -2.37 119.36 111.76 2ik1 n ILE 124 Ca -0.15 -0.88 -0.29 0.00 -0.27 0.00 0.00 62.75 61.16 2ik1 n ILE 124 Cb 0.52 0.74 0.18 0.00 -1.74 0.00 0.00 39.64 39.34 2ik1 n ILE 124 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2ik1 s GLY 125 N -1.21 1.57 0.26 3.28 0.00 -1.26 -4.96 107.32 104.99 2ik1 s GLY 125 Ca 0.41 -0.34 -0.01 0.00 0.00 0.00 0.00 44.72 44.78 2ik1 s GLY 125 CO 0.31 0.28 1.73 1.05 0.00 0.00 0.00 173.10 176.46 2ik1 h GLU 126 N -1.94 0.72 -6.36 2.90 4.11 -1.99 -3.44 114.58 108.58 2ik1 h GLU 126 Ca -0.55 -0.23 -0.54 0.00 0.07 0.00 0.00 59.36 58.12 2ik1 h GLU 126 Cb 1.33 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 2ik1 h GLU 126 CO 0.57 0.80 0.20 0.99 0.07 0.00 0.00 179.01 181.64 2ik1 s THR 127 N -4.81 4.67 0.05 -1.06 2.01 -1.26 -5.01 115.64 110.23 2ik1 s THR 127 Ca -0.09 1.72 -0.31 0.00 0.31 0.00 0.00 61.69 63.33 2ik1 s THR 127 Cb 0.14 -4.16 -0.06 0.00 0.01 0.00 0.00 72.50 68.43 2ik1 s THR 127 CO 0.81 0.36 1.29 -0.63 -0.69 0.00 0.00 174.62 175.76 2ik1 s ILE 128 N -0.08 3.79 0.97 1.82 1.01 -1.26 -4.97 121.20 122.47 2ik1 s ILE 128 Ca 0.40 1.25 -0.15 0.00 0.00 0.00 0.00 60.65 62.15 2ik1 s ILE 128 Cb -0.21 -3.80 0.22 0.00 0.01 0.00 0.00 42.46 38.67 2ik1 s ILE 128 CO 0.24 0.07 1.32 0.00 0.00 0.00 0.00 174.94 176.57 2ik1 s ALA 129 N 1.47 2.34 0.07 9.38 0.00 -1.26 -5.01 121.76 128.75 2ik1 s ALA 129 Ca 0.61 -1.40 0.06 0.00 0.00 0.00 0.00 51.96 51.23 2ik1 s ALA 129 Cb -0.31 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 2ik1 s ALA 129 CO 0.28 -2.49 -0.16 1.52 0.00 0.00 0.00 175.76 174.91 2ik1 s TYR 130 N -3.87 1.37 0.14 0.00 -0.85 -1.26 -4.60 117.35 108.29 2ik1 s TYR 130 Ca 0.76 -0.43 -0.31 0.00 -0.52 0.00 0.00 57.07 56.57 2ik1 s TYR 130 Cb -0.02 -0.78 -0.11 0.00 0.38 0.00 0.00 41.96 41.44 2ik1 s TYR 130 CO 0.53 0.09 1.77 0.99 -1.52 0.00 0.00 175.55 177.41 2ik1 s THR 131 N -1.16 2.46 0.00 -3.49 2.01 -1.26 -1.59 115.64 112.61 2ik1 s THR 131 Ca 0.01 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.11 2ik1 s THR 131 Cb -0.10 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.35 2ik1 s THR 131 CO 0.03 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.57 2ik1 n GLY 132 N 4.12 1.04 3.77 4.40 0.00 -0.18 -5.01 105.19 113.32 2ik1 n GLY 132 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2ik1 n GLY 132 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ik1 s GLN 133 N -0.47 4.21 -0.31 1.61 0.74 -0.62 -4.75 119.66 120.08 2ik1 s GLN 133 Ca 0.00 2.42 -0.07 0.00 0.05 0.00 0.00 55.36 57.76 2ik1 s GLN 133 Cb 0.00 -3.02 0.02 0.00 1.10 0.00 0.00 33.01 31.10 2ik1 s GLN 133 CO 0.00 -0.41 0.08 0.08 -0.55 0.00 0.00 175.29 174.49 2ik1 s VAL 134 N -0.90 3.89 0.28 1.34 1.01 -1.26 -0.50 120.40 124.26 2ik1 s VAL 134 Ca 0.53 -0.82 0.11 0.00 0.00 0.00 0.00 61.98 61.81 2ik1 s VAL 134 Cb -0.44 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 2ik1 s VAL 134 CO 0.56 0.01 -0.14 -1.59 0.00 0.00 0.00 175.10 173.94 2ik1 s LYS 135 N 1.47 1.83 -0.18 2.72 -2.85 -0.52 -4.93 119.74 117.28 2ik1 s LYS 135 Ca 0.01 -1.71 -0.08 0.00 -1.00 0.00 0.00 55.97 53.20 2ik1 s LYS 135 Cb -0.18 -1.85 -0.04 0.00 -2.06 0.00 0.00 37.83 33.70 2ik1 s LYS 135 CO 0.02 0.32 0.09 -0.65 0.10 0.00 0.00 175.35 175.23 2ik1 s GLN 136 N -3.56 4.00 0.06 1.78 1.11 -1.26 -0.45 119.66 121.34 2ik1 s GLN 136 Ca 0.31 -0.29 0.02 0.00 0.01 0.00 0.00 55.36 55.41 2ik1 s GLN 136 Cb -0.05 -3.27 -0.03 0.00 -1.01 0.00 0.00 33.01 28.66 2ik1 s GLN 136 CO 0.16 0.32 -0.08 0.14 0.01 0.00 0.00 175.29 175.84 2ik1 s VAL 137 N 0.26 0.64 -0.09 1.09 -7.23 -0.35 -1.08 120.40 113.64 2ik1 s VAL 137 Ca 0.05 -1.39 -0.04 0.00 -1.81 0.00 0.00 61.98 58.79 2ik1 s VAL 137 Cb -0.12 -1.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 2ik1 s VAL 137 CO -0.00 -0.54 0.09 -1.59 -0.31 0.00 0.00 175.10 172.74 2ik1 s LYS 138 N -2.36 3.24 0.13 4.82 -2.85 -0.47 -1.02 119.74 121.22 2ik1 s LYS 138 Ca -0.02 -0.27 -0.25 0.00 -1.00 0.00 0.00 55.97 54.42 2ik1 s LYS 138 Cb -0.05 -3.01 -0.07 0.00 -2.06 0.00 0.00 37.83 32.64 2ik1 s LYS 138 CO -0.01 0.73 0.78 0.00 0.10 0.00 0.00 175.35 176.96 2ik1 s ALA 139 N -1.01 3.41 -0.03 0.59 0.00 -1.26 -1.50 121.76 121.97 2ik1 s ALA 139 Ca 0.16 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.51 2ik1 s ALA 139 Cb -0.12 -2.99 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 2ik1 s ALA 139 CO 0.05 0.21 0.04 1.28 0.00 0.00 0.00 175.76 177.34 2ik1 n LEU 140 N 2.01 0.00 0.00 0.00 4.77 0.50 -4.86 117.00 119.42 2ik1 n LEU 140 Ca -0.04 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.96 2ik1 n LEU 140 Cb 0.49 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2ik1 n LEU 140 CO 0.47 0.07 0.48 0.61 -1.33 0.00 0.00 177.39 177.69 2ik1 n GLY 141 N 2.61 0.27 3.58 -0.72 0.00 -1.16 -1.47 105.19 108.31 2ik1 n GLY 141 Ca -0.05 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 2ik1 n GLY 141 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ik1 s ILE 142 N -2.00 0.00 -0.04 -0.61 2.07 -0.24 -1.00 121.20 119.38 2ik1 s ILE 142 Ca 0.13 -0.01 0.06 0.00 -1.41 0.00 0.00 60.65 59.43 2ik1 s ILE 142 Cb -0.00 -0.97 -0.02 0.00 0.13 0.00 0.00 42.46 41.60 2ik1 s ILE 142 CO -0.01 -0.00 -0.23 -0.04 -1.91 0.00 0.00 174.94 172.75 2ik1 s MET 143 N -0.10 2.32 -1.16 3.50 -1.94 -0.47 -0.25 119.30 121.20 2ik1 s MET 143 Ca -0.03 -0.86 -0.07 0.00 -1.71 0.00 0.00 55.69 53.02 2ik1 s MET 143 Cb -0.03 -2.16 0.25 0.00 2.01 0.00 0.00 34.83 34.90 2ik1 s MET 143 CO 0.04 0.53 1.59 0.00 -0.01 0.00 0.00 175.02 177.16 2ik1 n ALA 144 N 2.53 5.10 -1.96 3.03 0.00 -1.26 -1.34 120.51 126.61 2ik1 n ALA 144 Ca -0.17 -4.60 -0.41 0.00 0.00 0.00 0.00 53.44 48.27 2ik1 n ALA 144 Cb 0.52 -2.61 -0.04 0.00 0.00 0.00 0.00 19.45 17.31 2ik1 n ALA 144 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2ik1 s LEU 145 N -1.53 4.49 -0.41 0.00 2.96 -1.26 -1.00 118.68 121.93 2ik1 s LEU 145 Ca 0.35 2.21 -0.11 0.00 -0.22 0.00 0.00 54.13 56.36 2ik1 s LEU 145 Cb 0.05 -3.61 0.06 0.00 0.50 0.00 0.00 46.19 43.18 2ik1 s LEU 145 CO 0.05 -0.26 0.26 -0.76 -1.32 0.00 0.00 176.35 174.32 2ik1 s LEU 146 N -0.70 5.05 -0.32 -0.68 2.01 0.54 -0.70 118.68 123.88 2ik1 s LEU 146 Ca 0.49 -1.28 -0.08 0.00 0.01 0.00 0.00 54.13 53.27 2ik1 s LEU 146 Cb -0.32 -2.03 0.01 0.00 0.01 0.00 0.00 46.19 43.86 2ik1 s LEU 146 CO 0.38 -0.49 0.13 -0.62 1.01 0.00 0.00 176.35 176.75 2ik1 s ASP 147 N 1.96 5.38 -1.54 2.29 -1.08 -0.22 -2.68 116.67 120.78 2ik1 s ASP 147 Ca 0.03 -0.72 -0.08 0.00 -0.52 0.00 0.00 52.55 51.25 2ik1 s ASP 147 Cb -0.22 -1.94 0.07 0.00 -1.46 0.00 0.00 42.92 39.37 2ik1 s ASP 147 CO 0.05 -0.23 0.60 -0.62 0.52 0.00 0.00 175.17 175.48 2ik1 n GLU 148 N 4.92 -3.38 -1.00 4.34 1.02 -1.26 -1.76 120.64 123.52 2ik1 n GLU 148 Ca -0.14 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 2ik1 n GLU 148 Cb 0.48 -4.81 0.00 0.00 -0.02 0.00 0.00 31.44 27.09 2ik1 n GLU 148 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ik1 n GLY 149 N -1.75 0.50 3.43 0.62 0.00 -1.26 -5.02 105.19 101.72 2ik1 n GLY 149 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 2ik1 n GLY 149 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ik1 s GLU 150 N -0.16 2.20 0.05 1.61 2.02 -0.72 -4.64 118.70 119.05 2ik1 s GLU 150 Ca 0.00 -0.89 -0.31 0.00 0.02 0.00 0.00 54.97 53.79 2ik1 s GLU 150 Cb 0.00 -2.21 -0.10 0.00 0.10 0.00 0.00 34.13 31.92 2ik1 s GLU 150 CO 0.00 0.57 1.90 2.41 0.02 0.00 0.00 175.26 180.16 2ik1 n THR 151 N 1.94 0.57 -2.85 3.63 -1.04 0.91 -1.06 114.28 116.39 2ik1 n THR 151 Ca -0.16 -0.10 -0.11 0.00 -2.04 0.00 0.00 64.05 61.63 2ik1 n THR 151 Cb 0.52 -2.16 0.05 0.00 -1.82 0.00 0.00 70.33 66.92 2ik1 n THR 151 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2ik1 n ASP 152 N 6.59 -0.48 -4.41 8.00 2.03 0.12 -2.01 116.55 126.38 2ik1 n ASP 152 Ca 0.20 -3.04 -0.43 0.00 0.52 0.00 0.00 54.79 52.03 2ik1 n ASP 152 Cb 0.37 0.45 -0.00 0.00 -0.72 0.00 0.00 41.12 41.21 2ik1 n ASP 152 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 2ik1 n TRP 153 N 0.06 -0.78 -4.03 -0.67 7.02 -1.25 -4.12 117.44 113.68 2ik1 n TRP 153 Ca 0.11 0.69 -0.31 0.00 -1.02 0.00 0.00 57.50 56.96 2ik1 n TRP 153 Cb 0.74 -1.95 -0.15 0.00 -2.42 0.00 0.00 31.31 27.53 2ik1 n TRP 153 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 2ik1 s LYS 154 N -1.32 2.04 0.09 -0.99 -0.14 -0.45 -3.63 119.74 115.35 2ik1 s LYS 154 Ca 0.62 -1.20 -0.30 0.00 -1.36 0.00 0.00 55.97 53.73 2ik1 s LYS 154 Cb -0.68 -2.77 -0.05 0.00 -1.68 0.00 0.00 37.83 32.65 2ik1 s LYS 154 CO 0.59 -0.57 1.03 0.08 -0.76 0.00 0.00 175.35 175.72 2ik1 s VAL 155 N 1.21 4.39 -0.19 3.17 1.01 -0.47 -1.37 120.40 128.15 2ik1 s VAL 155 Ca -0.07 1.89 -0.15 0.00 0.00 0.00 0.00 61.98 63.64 2ik1 s VAL 155 Cb -0.19 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 2ik1 s VAL 155 CO -0.06 0.24 0.38 -0.63 0.00 0.00 0.00 175.10 175.04 2ik1 s ILE 156 N 0.33 5.22 0.09 2.22 1.01 -0.17 -0.25 121.20 129.64 2ik1 s ILE 156 Ca 0.50 0.68 -0.04 0.00 0.00 0.00 0.00 60.65 61.79 2ik1 s ILE 156 Cb -0.25 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 2ik1 s ILE 156 CO 0.30 0.28 0.09 0.00 0.00 0.00 0.00 174.94 175.61 2ik1 s ALA 157 N 1.16 0.28 -0.02 9.38 0.00 -0.31 -0.37 121.76 131.87 2ik1 s ALA 157 Ca 0.19 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.13 2ik1 s ALA 157 Cb -0.14 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.48 2ik1 s ALA 157 CO 0.07 -0.46 -0.06 -1.50 0.00 0.00 0.00 175.76 173.81 2ik1 s ILE 158 N -3.93 0.54 0.20 0.00 1.10 -0.56 -1.42 121.20 117.13 2ik1 s ILE 158 Ca 0.10 -0.24 -0.32 0.00 -0.51 0.00 0.00 60.65 59.68 2ik1 s ILE 158 Cb 0.06 -0.49 -0.12 0.00 0.15 0.00 0.00 42.46 42.06 2ik1 s ILE 158 CO -0.07 0.18 1.70 -0.67 -2.11 0.00 0.00 174.94 173.97 2ik1 n ASP 159 N 3.28 3.83 0.23 4.50 -0.08 -1.26 -1.37 116.55 125.68 2ik1 n ASP 159 Ca -0.17 1.06 0.16 0.00 -1.51 0.00 0.00 54.79 54.33 2ik1 n ASP 159 Cb 0.55 -1.55 0.75 0.00 2.34 0.00 0.00 41.12 43.22 2ik1 n ASP 159 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 2ik1 h ILE 160 N 3.80 0.00 -0.00 5.18 3.07 -1.45 -1.79 117.51 126.32 2ik1 h ILE 160 Ca -0.44 -0.19 0.00 0.00 1.55 0.00 0.00 64.86 65.78 2ik1 h ILE 160 Cb 1.21 1.01 0.00 0.00 -0.27 0.00 0.00 36.82 38.77 2ik1 h ILE 160 CO 0.94 0.00 -0.13 0.59 -1.05 0.00 0.00 178.15 178.51 2ik1 n ASN 161 N -2.69 0.31 -4.77 2.16 5.03 -1.26 -4.80 115.26 109.25 2ik1 n ASN 161 Ca -0.00 -0.24 -0.41 0.00 0.87 0.00 0.00 54.58 54.80 2ik1 n ASN 161 Cb 0.16 -0.15 -0.02 0.00 -1.02 0.00 0.00 39.78 38.76 2ik1 n ASN 161 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2ik1 s ASP 162 N -2.68 6.63 0.43 6.41 2.15 -0.68 -4.89 116.67 124.05 2ik1 s ASP 162 Ca 0.23 2.77 0.22 0.00 0.43 0.00 0.00 52.55 56.21 2ik1 s ASP 162 Cb 0.19 -2.65 1.20 0.00 -0.30 0.00 0.00 42.92 41.37 2ik1 s ASP 162 CO 0.52 -0.66 1.79 -0.65 -0.17 0.00 0.00 175.17 176.00 2ik1 h PRO 163 N 3.72 0.30 -0.00 4.34 0.11 -1.91 -0.76 132.00 137.80 2ik1 h PRO 163 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2ik1 h PRO 163 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2ik1 h PRO 163 CO 0.68 0.20 -0.25 1.28 -0.21 0.00 0.00 178.00 179.70 2ik1 n LEU 164 N -4.52 0.30 -0.24 2.35 4.77 -1.26 -4.46 117.00 113.94 2ik1 n LEU 164 Ca 0.24 0.20 0.04 0.00 -0.03 0.00 0.00 56.01 56.46 2ik1 n LEU 164 Cb 0.93 -0.34 0.14 0.00 -2.33 0.00 0.00 43.42 41.81 2ik1 n LEU 164 CO 0.29 0.07 0.81 0.00 -1.33 0.00 0.00 177.39 177.24 2ik1 h ALA 165 N 3.08 0.71 -0.01 -1.18 0.00 -1.40 -0.17 119.26 120.29 2ik1 h ALA 165 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2ik1 h ALA 165 Cb 0.48 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2ik1 h ALA 165 CO 0.00 -0.42 0.02 -1.35 0.00 0.00 0.00 179.25 177.50 2ik1 h PRO 166 N 0.09 0.00 -0.00 0.00 0.11 -1.81 -1.35 132.00 129.05 2ik1 h PRO 166 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 2ik1 h PRO 166 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 2ik1 h PRO 166 CO -0.64 0.00 -0.40 1.63 -0.21 0.00 0.00 178.00 178.38 2ik1 n LYS 167 N -3.67 0.10 -3.72 1.05 4.01 -0.09 -4.78 118.16 111.05 2ik1 n LYS 167 Ca -0.03 -0.05 -0.38 0.00 -0.51 0.00 0.00 58.31 57.34 2ik1 n LYS 167 Cb 0.10 -1.50 -0.12 0.00 -0.51 0.00 0.00 35.03 33.00 2ik1 n LYS 167 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2ik1 s LEU 168 N -2.93 4.57 0.00 -0.35 1.43 -0.51 -4.91 118.68 115.98 2ik1 s LEU 168 Ca 0.13 -1.30 0.00 0.00 -1.03 0.00 0.00 54.13 51.94 2ik1 s LEU 168 Cb 0.18 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.51 2ik1 s LEU 168 CO 0.65 -0.39 0.00 0.59 0.23 0.00 0.00 176.35 177.43 2ik1 n ASN 169 N 4.81 3.77 -3.83 2.29 3.02 -1.26 -4.92 115.26 119.14 2ik1 n ASN 169 Ca -0.11 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.32 2ik1 n ASN 169 Cb 0.44 0.59 -0.07 0.00 -0.61 0.00 0.00 39.78 40.13 2ik1 n ASN 169 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2ik1 s ASP 170 N -1.94 0.34 0.48 6.41 -1.08 -1.26 -4.82 116.67 114.79 2ik1 s ASP 170 Ca 0.00 -1.26 0.16 0.00 -0.52 0.00 0.00 52.55 50.93 2ik1 s ASP 170 Cb 0.00 0.54 1.14 0.00 -1.46 0.00 0.00 42.92 43.14 2ik1 s ASP 170 CO 0.00 -1.08 2.06 -0.29 0.52 0.00 0.00 175.17 176.37 2ik1 h ILE 171 N 2.32 1.05 0.00 4.11 6.09 -1.59 -1.14 117.51 128.36 2ik1 h ILE 171 Ca -0.30 -0.39 -0.05 0.00 -1.37 0.00 0.00 64.86 62.75 2ik1 h ILE 171 Cb 1.25 1.21 -0.01 0.00 0.47 0.00 0.00 36.82 39.74 2ik1 h ILE 171 CO 0.42 0.11 -0.22 -0.33 -3.07 0.00 0.00 178.15 175.05 2ik1 h GLU 172 N 0.00 0.00 0.00 2.19 3.07 -1.95 -2.12 114.58 115.77 2ik1 h GLU 172 Ca -0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 2ik1 h GLU 172 Cb 0.20 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 2ik1 h GLU 172 CO 0.01 0.22 -0.38 -0.44 -1.40 0.00 0.00 179.01 177.03 2ik1 h ASP 173 N 0.00 0.00 -0.48 1.42 3.32 -1.56 -2.48 116.42 116.63 2ik1 h ASP 173 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2ik1 h ASP 173 Cb 0.41 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2ik1 h ASP 173 CO 0.03 0.38 0.22 0.58 -1.72 0.00 0.00 179.24 178.72 2ik1 h VAL 174 N 0.00 1.20 -0.22 -1.35 2.07 -1.44 -1.62 116.25 114.88 2ik1 h VAL 174 Ca -0.00 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 2ik1 h VAL 174 Cb 0.67 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2ik1 h VAL 174 CO 0.05 0.23 -0.07 -0.08 0.02 0.00 0.00 177.57 177.71 2ik1 h GLU 175 N 0.64 0.35 0.04 1.57 4.57 -1.50 0.26 114.58 120.50 2ik1 h GLU 175 Ca 0.16 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2ik1 h GLU 175 Cb 0.15 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2ik1 h GLU 175 CO -0.02 0.44 -0.02 -0.22 -1.18 0.00 0.00 179.01 178.01 2ik1 h LYS 176 N 0.33 -0.05 0.00 1.92 3.64 -1.07 -3.04 116.57 118.31 2ik1 h LYS 176 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2ik1 h LYS 176 Cb 0.34 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2ik1 h LYS 176 CO 0.02 0.26 -1.29 0.66 -2.27 0.00 0.00 179.45 176.83 2ik1 n TYR 177 N -4.96 0.41 -2.83 1.91 4.02 -0.64 -4.41 117.16 110.65 2ik1 n TYR 177 Ca -0.08 0.12 -0.21 0.00 -0.01 0.00 0.00 57.90 57.72 2ik1 n TYR 177 Cb 0.18 -0.61 -0.01 0.00 -0.02 0.00 0.00 39.34 38.88 2ik1 n TYR 177 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2ik1 n PHE 178 N -2.26 2.35 -1.72 -0.72 3.01 0.90 -5.08 117.46 113.93 2ik1 n PHE 178 Ca -0.00 -3.49 -0.42 0.00 1.01 0.00 0.00 57.45 54.54 2ik1 n PHE 178 Cb 0.51 -0.35 -0.03 0.00 -0.01 0.00 0.00 39.48 39.60 2ik1 n PHE 178 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2ik1 n PRO 179 N -0.14 2.76 0.00 -1.08 -0.04 -1.15 -1.51 135.00 133.85 2ik1 n PRO 179 Ca 0.27 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.72 2ik1 n PRO 179 Cb 0.61 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 2ik1 n PRO 179 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ik1 n GLY 180 N 3.65 2.07 0.12 0.55 0.00 -1.26 -4.93 105.19 105.39 2ik1 n GLY 180 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 2ik1 n GLY 180 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ik1 h LEU 181 N 0.00 0.31 -0.68 0.99 5.85 -1.62 -1.38 115.31 118.77 2ik1 h LEU 181 Ca 0.00 -0.31 -0.06 0.00 0.84 0.00 0.00 57.88 58.34 2ik1 h LEU 181 Cb 0.00 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2ik1 h LEU 181 CO 0.00 0.55 0.18 -0.07 -0.34 0.00 0.00 178.44 178.76 2ik1 h LEU 182 N 0.06 1.03 -0.56 2.25 3.38 -1.92 0.10 115.31 119.64 2ik1 h LEU 182 Ca 0.05 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.82 2ik1 h LEU 182 Cb 0.39 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 2ik1 h LEU 182 CO 0.01 0.99 0.34 -0.09 0.09 0.00 0.00 178.44 179.77 2ik1 h ARG 183 N 1.02 0.65 -0.43 1.13 2.43 -1.93 -1.03 114.38 116.22 2ik1 h ARG 183 Ca 0.22 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 2ik1 h ARG 183 Cb 0.35 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 2ik1 h ARG 183 CO -0.00 0.43 0.10 0.00 -1.51 0.00 0.00 179.97 178.99 2ik1 h ALA 184 N 1.25 1.37 -0.42 2.80 0.00 -0.93 -1.76 119.26 121.57 2ik1 h ALA 184 Ca 0.23 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2ik1 h ALA 184 Cb 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2ik1 h ALA 184 CO -0.10 0.45 0.14 1.15 0.00 0.00 0.00 179.25 180.89 2ik1 h THR 185 N 0.63 1.21 -0.31 0.00 2.02 -0.47 0.14 112.91 116.13 2ik1 h THR 185 Ca 0.14 -0.70 0.05 0.00 0.77 0.00 0.00 66.41 66.67 2ik1 h THR 185 Cb 0.25 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 2ik1 h THR 185 CO -0.00 0.25 0.04 -1.13 0.37 0.00 0.00 175.52 175.05 2ik1 h ASN 186 N 0.53 -0.04 -0.19 4.18 -0.73 -0.91 -2.10 115.58 116.33 2ik1 h ASN 186 Ca 0.14 0.06 -0.00 0.00 1.87 0.00 0.00 56.30 58.36 2ik1 h ASN 186 Cb 0.25 0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.92 2ik1 h ASN 186 CO -0.01 0.02 0.10 -0.08 -0.37 0.00 0.00 177.43 177.09 2ik1 h GLU 187 N 0.14 0.26 0.05 6.67 4.81 -0.97 -2.03 114.58 123.51 2ik1 h GLU 187 Ca 0.15 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2ik1 h GLU 187 Cb 0.18 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2ik1 h GLU 187 CO -0.22 0.25 -0.09 2.35 -0.73 0.00 0.00 179.01 180.58 2ik1 h TRP 188 N 0.20 -0.22 0.00 0.92 7.01 -0.51 -1.66 115.95 121.70 2ik1 h TRP 188 Ca 0.07 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.04 2ik1 h TRP 188 Cb 0.06 0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 27.21 2ik1 h TRP 188 CO -0.04 -0.13 -0.13 0.74 -2.79 0.00 0.00 178.44 176.09 2ik1 h PHE 189 N -0.18 0.00 -0.47 2.65 -1.00 -1.37 -0.93 116.94 115.64 2ik1 h PHE 189 Ca 0.02 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.74 2ik1 h PHE 189 Cb 0.19 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.73 2ik1 h PHE 189 CO -0.12 0.13 0.09 0.00 -1.61 0.00 0.00 178.31 176.80 2ik1 h ARG 190 N 0.00 0.77 0.00 1.51 3.08 -0.79 -3.39 114.38 115.57 2ik1 h ARG 190 Ca -0.00 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.85 2ik1 h ARG 190 Cb 0.76 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2ik1 h ARG 190 CO 0.02 0.77 -1.01 0.44 -1.07 0.00 0.00 179.97 179.12 2ik1 n ILE 191 N -4.46 0.00 0.30 2.04 -5.35 -0.68 -0.78 119.36 110.43 2ik1 n ILE 191 Ca 0.01 -0.18 0.16 0.00 -0.27 0.00 0.00 62.75 62.47 2ik1 n ILE 191 Cb 0.24 0.79 0.73 0.00 -1.74 0.00 0.00 39.64 39.66 2ik1 n ILE 191 CO 0.00 0.00 0.00 0.10 -1.76 0.00 0.00 176.55 174.89 2ik1 h TYR 192 N 0.00 0.00 -0.13 4.28 -0.00 -1.36 -0.74 116.97 119.03 2ik1 h TYR 192 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2ik1 h TYR 192 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.21 2ik1 h TYR 192 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.79 2ik1 n LYS 193 N -2.66 1.54 -0.29 0.10 5.02 -1.26 -4.52 118.16 116.09 2ik1 n LYS 193 Ca -0.00 -1.62 -0.03 0.00 -2.02 0.00 0.00 58.31 54.64 2ik1 n LYS 193 Cb 0.17 -1.32 0.09 0.00 -0.02 0.00 0.00 35.03 33.95 2ik1 n LYS 193 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2ik1 h ILE 194 N 3.02 1.14 0.00 -0.18 2.04 -1.25 -1.15 117.51 121.13 2ik1 h ILE 194 Ca 0.00 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2ik1 h ILE 194 Cb 0.69 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2ik1 h ILE 194 CO 0.00 0.18 0.00 -0.65 0.00 0.00 0.00 178.15 177.68 2ik1 h PRO 195 N 1.00 0.00 -0.39 2.37 0.11 -1.79 -1.37 132.00 131.93 2ik1 h PRO 195 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 2ik1 h PRO 195 Cb -0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.09 2ik1 h PRO 195 CO -0.10 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.44 2ik1 n ASP 196 N -2.30 2.74 0.00 -2.05 8.00 -0.48 -4.93 116.55 117.53 2ik1 n ASP 196 Ca -0.00 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.58 2ik1 n ASP 196 Cb 0.10 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 2ik1 n ASP 196 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ik1 n GLY 197 N 1.35 0.45 3.87 0.44 0.00 -0.52 -5.06 105.19 105.71 2ik1 n GLY 197 Ca 0.18 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 2ik1 n GLY 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ik1 s LYS 198 N -2.12 3.03 0.95 1.61 1.02 -0.91 -5.02 119.74 118.30 2ik1 s LYS 198 Ca 0.00 -1.01 -0.12 0.00 0.02 0.00 0.00 55.97 54.86 2ik1 s LYS 198 Cb 0.00 -2.64 0.16 0.00 -0.52 0.00 0.00 37.83 34.83 2ik1 s LYS 198 CO 0.00 0.35 1.09 -2.14 -0.92 0.00 0.00 175.35 173.74 2ik1 s PRO 199 N -3.91 0.81 0.45 -1.68 0.02 -1.26 -3.98 135.00 125.45 2ik1 s PRO 199 Ca 0.35 0.63 -0.25 0.00 0.02 0.00 0.00 61.00 61.75 2ik1 s PRO 199 Cb -0.08 -1.77 -0.09 0.00 0.02 0.00 0.00 34.50 32.58 2ik1 s PRO 199 CO 0.26 -2.50 1.35 -0.85 -0.33 0.00 0.00 177.00 174.94 2ik1 n GLU 200 N -4.03 2.05 -2.24 5.54 0.00 -1.26 -4.55 120.64 116.14 2ik1 n GLU 200 Ca 0.06 0.73 -0.27 0.00 0.00 0.00 0.00 57.16 57.68 2ik1 n GLU 200 Cb 0.56 -2.51 0.14 0.00 0.00 0.00 0.00 31.44 29.63 2ik1 n GLU 200 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 2ik1 s ASN 201 N -0.55 3.79 0.13 -1.84 0.01 0.04 -4.93 114.94 111.60 2ik1 s ASN 201 Ca 0.62 0.00 0.00 0.00 -0.71 0.00 0.00 52.86 52.78 2ik1 s ASN 201 Cb -0.47 -0.24 -0.04 0.00 0.41 0.00 0.00 41.25 40.91 2ik1 s ASN 201 CO 0.57 -2.26 0.02 -1.10 -1.51 0.00 0.00 177.10 172.82 2ik1 s GLN 202 N -5.51 0.95 0.00 -0.60 -0.21 -1.09 -4.75 119.66 108.45 2ik1 s GLN 202 Ca 0.70 -1.44 0.05 0.00 0.02 0.00 0.00 55.36 54.68 2ik1 s GLN 202 Cb -0.05 0.04 -0.01 0.00 1.00 0.00 0.00 33.01 33.99 2ik1 s GLN 202 CO 0.49 -0.19 -0.14 -0.06 -2.12 0.00 0.00 175.29 173.27 2ik1 s PHE 203 N -3.88 1.27 0.92 0.91 0.40 -1.26 -0.34 117.98 115.99 2ik1 s PHE 203 Ca 0.21 -0.27 -0.12 0.00 -0.60 0.00 0.00 56.93 56.16 2ik1 s PHE 203 Cb 0.07 -0.80 0.14 0.00 0.51 0.00 0.00 43.02 42.95 2ik1 s PHE 203 CO 0.01 -0.00 1.09 0.00 0.70 0.00 0.00 175.22 177.02 2ik1 s ALA 204 N -0.48 1.39 -1.64 5.36 0.00 -0.17 -4.02 121.76 122.19 2ik1 s ALA 204 Ca 0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 51.96 51.94 2ik1 s ALA 204 Cb -0.06 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2ik1 s ALA 204 CO 0.00 -2.49 0.01 1.19 0.00 0.00 0.00 175.76 174.47 2ik1 n PHE 205 N -3.98 -1.10 -4.01 0.00 0.99 -1.26 -1.86 117.46 106.25 2ik1 n PHE 205 Ca 0.07 0.01 -0.33 0.00 -0.00 0.00 0.00 57.45 57.20 2ik1 n PHE 205 Cb 0.55 -3.75 -0.03 0.00 -1.00 0.00 0.00 39.48 35.25 2ik1 n PHE 205 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2ik1 n SER 206 N -1.98 -3.15 0.00 4.37 7.64 -1.26 -1.09 113.62 118.15 2ik1 n SER 206 Ca -0.23 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 58.81 2ik1 n SER 206 Cb 0.67 -2.60 0.00 0.00 -1.01 0.00 0.00 64.21 61.27 2ik1 n SER 206 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ik1 n GLY 207 N -1.26 0.53 3.68 0.23 0.00 -0.78 -5.01 105.19 102.59 2ik1 n GLY 207 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 2ik1 n GLY 207 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ik1 n GLU 208 N -2.38 2.13 -2.77 1.61 2.13 -0.25 -4.93 120.64 116.17 2ik1 n GLU 208 Ca 0.00 0.76 -0.43 0.00 0.66 0.00 0.00 57.16 58.15 2ik1 n GLU 208 Cb 0.05 -2.43 -0.04 0.00 0.27 0.00 0.00 31.44 29.29 2ik1 n GLU 208 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ik1 s ALA 209 N -0.04 3.13 0.78 4.31 0.00 -1.26 -4.49 121.76 124.19 2ik1 s ALA 209 Ca 0.68 -1.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.45 2ik1 s ALA 209 Cb -0.63 -3.79 0.06 0.00 0.00 0.00 0.00 23.12 18.76 2ik1 s ALA 209 CO 0.49 -2.40 1.10 0.15 0.00 0.00 0.00 175.76 175.10 2ik1 s LYS 210 N 4.16 2.14 0.88 0.00 -0.14 0.66 -4.80 119.74 122.64 2ik1 s LYS 210 Ca 0.34 1.25 -0.15 0.00 -1.36 0.00 0.00 55.97 56.06 2ik1 s LYS 210 Cb -0.11 -1.88 0.20 0.00 -1.68 0.00 0.00 37.83 34.36 2ik1 s LYS 210 CO 0.22 -1.74 1.20 0.27 -0.76 0.00 0.00 175.35 174.53 2ik1 n ASN 211 N -3.49 0.09 -0.16 2.83 0.23 -1.26 -1.08 115.26 112.42 2ik1 n ASN 211 Ca 0.10 -1.44 -0.05 0.00 -0.53 0.00 0.00 54.58 52.66 2ik1 n ASN 211 Cb 0.53 -0.92 0.04 0.00 -2.08 0.00 0.00 39.78 37.35 2ik1 n ASN 211 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2ik1 h LYS 212 N 0.00 0.54 -0.76 -3.83 3.64 -1.83 -0.41 116.57 113.92 2ik1 h LYS 212 Ca -0.39 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.00 2ik1 h LYS 212 Cb 1.07 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.72 2ik1 h LYS 212 CO 0.27 0.36 0.48 -0.22 -2.27 0.00 0.00 179.45 178.07 2ik1 h LYS 213 N 0.56 0.89 -0.44 1.90 3.64 -1.93 -0.26 116.57 120.91 2ik1 h LYS 213 Ca 0.20 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2ik1 h LYS 213 Cb 0.05 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 2ik1 h LYS 213 CO -0.11 0.59 0.26 -0.92 -2.27 0.00 0.00 179.45 177.00 2ik1 h TYR 214 N 0.91 0.59 -0.46 1.91 3.20 -1.77 -2.47 116.97 118.89 2ik1 h TYR 214 Ca 0.31 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.20 2ik1 h TYR 214 Cb 0.06 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 2ik1 h TYR 214 CO -0.04 0.43 0.27 0.00 -1.64 0.00 0.00 178.16 177.18 2ik1 h ALA 215 N 1.11 0.59 -0.61 1.82 0.00 -0.12 -1.92 119.26 120.12 2ik1 h ALA 215 Ca 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2ik1 h ALA 215 Cb 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2ik1 h ALA 215 CO -0.03 -0.05 0.31 -0.07 0.00 0.00 0.00 179.25 179.41 2ik1 h LEU 216 N 0.54 0.77 -0.30 0.00 3.38 -0.94 0.43 115.31 119.19 2ik1 h LEU 216 Ca 0.19 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2ik1 h LEU 216 Cb 0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2ik1 h LEU 216 CO -0.09 0.64 0.15 -0.78 0.09 0.00 0.00 178.44 178.46 2ik1 h ASP 217 N 0.86 0.39 -0.05 -0.43 3.58 -0.94 -0.83 116.42 118.99 2ik1 h ASP 217 Ca 0.21 -0.11 -0.19 0.00 0.42 0.00 0.00 57.03 57.36 2ik1 h ASP 217 Cb 0.07 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.02 2ik1 h ASP 217 CO -0.03 0.39 -0.66 0.40 -2.88 0.00 0.00 179.24 176.46 2ik1 h ILE 218 N 0.36 1.31 -0.48 2.25 1.08 -0.94 -2.06 117.51 119.02 2ik1 h ILE 218 Ca 0.10 -1.91 0.02 0.00 -0.39 0.00 0.00 64.86 62.69 2ik1 h ILE 218 Cb 0.10 1.87 -0.03 0.00 -3.07 0.00 0.00 36.82 35.69 2ik1 h ILE 218 CO -0.01 0.60 0.28 0.40 -0.69 0.00 0.00 178.15 178.72 2ik1 h ILE 219 N 0.49 1.03 -0.30 -0.67 5.03 -0.79 -1.11 117.51 121.18 2ik1 h ILE 219 Ca -0.02 -0.19 0.06 0.00 -0.12 0.00 0.00 64.86 64.59 2ik1 h ILE 219 Cb 1.25 0.44 -0.05 0.00 -3.03 0.00 0.00 36.82 35.42 2ik1 h ILE 219 CO 0.13 0.10 -0.05 0.50 -0.68 0.00 0.00 178.15 178.15 2ik1 h LYS 220 N 0.55 0.03 -0.43 2.37 3.64 -1.02 0.33 116.57 122.04 2ik1 h LYS 220 Ca 0.19 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.65 2ik1 h LYS 220 Cb 0.03 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.78 2ik1 h LYS 220 CO -0.10 0.02 0.01 1.49 -2.27 0.00 0.00 179.45 178.61 2ik1 h GLU 221 N 0.03 0.12 0.00 1.90 4.81 -0.89 0.07 114.58 120.62 2ik1 h GLU 221 Ca 0.15 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.28 2ik1 h GLU 221 Cb 0.21 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2ik1 h GLU 221 CO -0.29 0.08 -0.41 1.79 -0.73 0.00 0.00 179.01 179.45 2ik1 h THR 222 N 0.13 1.10 -0.37 0.32 1.35 -0.60 -1.21 112.91 113.62 2ik1 h THR 222 Ca 0.21 -1.52 -0.11 0.00 -0.55 0.00 0.00 66.41 64.44 2ik1 h THR 222 Cb 0.30 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.58 2ik1 h THR 222 CO -0.34 0.41 -0.20 -0.74 -0.25 0.00 0.00 175.52 174.39 2ik1 h HIS 223 N 0.00 0.92 -0.66 4.73 -0.00 -0.35 -1.31 115.15 118.48 2ik1 h HIS 223 Ca -0.00 -0.24 -0.04 0.00 -0.00 0.00 0.00 60.37 60.09 2ik1 h HIS 223 Cb 0.83 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 28.00 2ik1 h HIS 223 CO 0.00 0.99 0.25 -0.44 -0.00 0.00 0.00 177.93 178.73 2ik1 h ASP 224 N 0.59 0.90 -0.66 3.26 3.32 -0.60 -0.25 116.42 122.98 2ik1 h ASP 224 Ca 0.08 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 2ik1 h ASP 224 Cb 0.76 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 2ik1 h ASP 224 CO 0.06 0.82 0.33 0.28 -1.72 0.00 0.00 179.24 179.01 2ik1 h SER 225 N 0.96 0.86 -0.73 6.45 0.02 -1.11 -2.65 113.55 117.34 2ik1 h SER 225 Ca 0.22 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 2ik1 h SER 225 Cb 0.21 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 2ik1 h SER 225 CO -0.02 0.74 0.26 -0.25 -1.14 0.00 0.00 176.83 176.42 2ik1 h TRP 226 N 0.91 1.15 -0.95 3.45 7.01 -0.81 -1.59 115.95 125.12 2ik1 h TRP 226 Ca 0.23 -0.10 0.06 0.00 2.11 0.00 0.00 58.89 61.19 2ik1 h TRP 226 Cb 0.10 -0.34 -0.06 0.00 -2.10 0.00 0.00 29.16 26.76 2ik1 h TRP 226 CO 0.00 0.89 0.62 0.87 -2.79 0.00 0.00 178.44 178.03 2ik1 h LYS 227 N 1.07 1.08 -0.34 2.65 1.57 -0.74 0.92 116.57 122.78 2ik1 h LYS 227 Ca 0.24 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 2ik1 h LYS 227 Cb 0.26 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2ik1 h LYS 227 CO -0.01 0.71 -0.11 0.37 -0.57 0.00 0.00 179.45 179.84 2ik1 h GLN 228 N 1.11 0.66 0.09 3.15 4.15 -1.28 -2.39 115.11 120.60 2ik1 h GLN 228 Ca 0.41 -0.27 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 2ik1 h GLN 228 Cb 0.16 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.82 2ik1 h GLN 228 CO -0.15 0.85 -0.04 1.25 -1.93 0.00 0.00 178.83 178.80 2ik1 h LEU 229 N 0.44 -0.10 -1.25 -2.39 5.85 -0.42 -0.78 115.31 116.67 2ik1 h LEU 229 Ca 0.08 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 2ik1 h LEU 229 Cb 0.62 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 2ik1 h LEU 229 CO 0.04 -0.05 -0.09 -0.29 -0.34 0.00 0.00 178.44 177.70 2ik1 h ILE 230 N -0.13 0.24 0.00 4.05 6.09 -0.87 -1.21 117.51 125.68 2ik1 h ILE 230 Ca -0.01 -0.79 0.00 0.00 -1.37 0.00 0.00 64.86 62.69 2ik1 h ILE 230 Cb 0.10 1.64 0.00 0.00 0.47 0.00 0.00 36.82 39.03 2ik1 h ILE 230 CO 0.02 0.09 0.00 0.00 -3.07 0.00 0.00 178.15 175.19 2ik1 n ALA 231 N -2.15 2.20 -1.26 0.18 0.00 -0.90 -4.50 120.51 114.08 2ik1 n ALA 231 Ca 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.33 2ik1 n ALA 231 Cb 0.37 -1.40 -0.00 0.00 0.00 0.00 0.00 19.45 18.41 2ik1 n ALA 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ik1 n GLY 232 N 0.90 0.41 0.52 0.00 0.00 -0.45 -4.73 105.19 101.84 2ik1 n GLY 232 Ca 0.10 -1.01 0.05 0.00 0.00 0.00 0.00 46.02 45.16 2ik1 n GLY 232 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ik1 n LYS 233 N -2.52 1.54 -2.09 1.61 4.76 -0.32 -4.98 118.16 116.17 2ik1 n LYS 233 Ca -0.01 -1.54 -0.38 0.00 -2.87 0.00 0.00 58.31 53.51 2ik1 n LYS 233 Cb 0.14 -1.23 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 2ik1 n LYS 233 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2ik1 s SER 234 N -0.95 6.07 0.58 4.39 0.15 -1.20 -4.90 113.70 117.83 2ik1 s SER 234 Ca 0.17 2.53 0.35 0.00 0.70 0.00 0.00 55.95 59.70 2ik1 s SER 234 Cb 0.10 -2.62 1.73 0.00 -1.71 0.00 0.00 66.02 63.52 2ik1 s SER 234 CO 0.14 -1.00 2.14 0.77 1.20 0.00 0.00 173.24 176.49 2ik1 h SER 235 N 2.21 0.00 -0.90 5.45 4.64 -1.96 -3.40 113.55 119.59 2ik1 h SER 235 Ca -0.50 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 60.89 2ik1 h SER 235 Cb 1.26 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.14 2ik1 h SER 235 CO 0.61 0.04 -0.32 -0.62 -0.87 0.00 0.00 176.83 175.67 2ik1 s ASP 236 N -5.68 -1.45 0.00 4.97 -1.08 -1.26 -5.03 116.67 107.14 2ik1 s ASP 236 Ca -0.02 0.26 0.13 0.00 -0.52 0.00 0.00 52.55 52.40 2ik1 s ASP 236 Cb 0.12 1.95 0.56 0.00 -1.46 0.00 0.00 42.92 44.09 2ik1 s ASP 236 CO 0.52 -0.27 1.39 -1.54 0.52 0.00 0.00 175.17 175.80 2ik1 n SER 237 N 5.39 0.99 -2.99 -0.34 3.41 -1.26 -4.92 113.62 113.89 2ik1 n SER 237 Ca 0.05 -1.78 -0.21 0.00 -0.26 0.00 0.00 58.87 56.67 2ik1 n SER 237 Cb 0.54 -0.09 0.01 0.00 -0.26 0.00 0.00 64.21 64.41 2ik1 n SER 237 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ik1 n LYS 238 N -0.05 -3.62 -1.68 4.33 4.76 -1.26 -1.20 118.16 119.44 2ik1 n LYS 238 Ca 0.11 0.71 -0.20 0.00 -2.87 0.00 0.00 58.31 56.06 2ik1 n LYS 238 Cb 0.19 -5.45 -0.08 0.00 -1.84 0.00 0.00 35.03 27.85 2ik1 n LYS 238 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ik1 n GLY 239 N -1.23 1.64 3.75 0.72 0.00 -1.26 -4.96 105.19 103.85 2ik1 n GLY 239 Ca -0.10 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2ik1 n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ik1 s ILE 240 N -2.78 2.66 -0.41 -0.61 1.01 -0.34 -4.60 121.20 116.13 2ik1 s ILE 240 Ca 0.00 0.56 -0.29 0.00 0.00 0.00 0.00 60.65 60.92 2ik1 s ILE 240 Cb 0.00 -3.36 0.02 0.00 0.01 0.00 0.00 42.46 39.14 2ik1 s ILE 240 CO 0.00 0.09 1.12 -0.62 0.00 0.00 0.00 174.94 175.53 2ik1 s ASP 241 N 0.31 6.75 0.00 3.58 -1.08 0.37 -4.90 116.67 121.71 2ik1 s ASP 241 Ca 0.59 0.72 0.18 0.00 -0.52 0.00 0.00 52.55 53.52 2ik1 s ASP 241 Cb -0.42 -2.55 0.51 0.00 -1.46 0.00 0.00 42.92 39.01 2ik1 s ASP 241 CO 0.44 -1.10 1.42 0.18 0.52 0.00 0.00 175.17 176.63 2ik1 n LEU 242 N 7.45 2.89 -4.69 -1.34 4.77 -1.26 -4.86 117.00 119.96 2ik1 n LEU 242 Ca 0.12 -1.40 -0.44 0.00 -0.03 0.00 0.00 56.01 54.26 2ik1 n LEU 242 Cb 0.48 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 2ik1 n LEU 242 CO 0.66 0.70 1.19 0.41 -1.33 0.00 0.00 177.39 179.02 2ik1 n THR 243 N 1.09 0.41 -3.83 -5.08 -1.04 -1.26 -4.68 114.28 99.89 2ik1 n THR 243 Ca 0.18 -0.10 -0.09 0.00 -2.04 0.00 0.00 64.05 62.00 2ik1 n THR 243 Cb 0.47 -1.67 -0.07 0.00 -1.82 0.00 0.00 70.33 67.24 2ik1 n THR 243 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2ik1 s ASN 244 N 0.73 0.05 0.00 8.00 4.22 -1.09 -4.48 114.94 122.38 2ik1 s ASN 244 Ca 0.73 -0.53 0.08 0.00 -2.14 0.00 0.00 52.86 51.00 2ik1 s ASN 244 Cb -0.61 0.34 0.11 0.00 1.28 0.00 0.00 41.25 42.37 2ik1 s ASN 244 CO 0.42 -0.70 0.88 1.33 -2.04 0.00 0.00 177.10 176.99 2ik1 n VAL 245 N 0.12 0.29 -0.26 3.54 0.24 -1.26 -0.28 118.33 120.72 2ik1 n VAL 245 Ca -0.16 -0.65 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 2ik1 n VAL 245 Cb 0.62 0.97 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 2ik1 n VAL 245 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2ik1 n THR 246 N 0.39 0.00 -3.61 3.34 -2.24 -1.26 -4.66 114.28 106.23 2ik1 n THR 246 Ca 0.06 -0.30 -0.33 0.00 -2.27 0.00 0.00 64.05 61.21 2ik1 n THR 246 Cb 0.25 1.26 -0.07 0.00 -2.10 0.00 0.00 70.33 69.67 2ik1 n THR 246 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2ik1 n LEU 247 N -0.22 4.03 0.27 3.22 4.77 -1.26 -4.95 117.00 122.85 2ik1 n LEU 247 Ca 0.00 -5.22 0.16 0.00 -0.03 0.00 0.00 56.01 50.92 2ik1 n LEU 247 Cb 0.06 -0.95 0.89 0.00 -2.33 0.00 0.00 43.42 41.10 2ik1 n LEU 247 CO 0.00 1.72 1.14 1.55 -1.33 0.00 0.00 177.39 180.46 2ik1 h PRO 248 N 5.45 0.00 -0.08 3.23 0.13 -1.96 -2.02 132.00 136.75 2ik1 h PRO 248 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2ik1 h PRO 248 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2ik1 h PRO 248 CO 0.86 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.38 2ik1 n ASP 249 N -3.81 0.65 -4.91 1.44 8.00 -1.26 -4.83 116.55 111.83 2ik1 n ASP 249 Ca -0.01 -1.62 -0.32 0.00 0.71 0.00 0.00 54.79 53.54 2ik1 n ASP 249 Cb 0.17 -0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.18 2ik1 n ASP 249 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2ik1 s THR 250 N -1.90 5.40 0.58 -3.53 -4.23 -0.76 -5.00 115.64 106.19 2ik1 s THR 250 Ca 0.26 -0.25 0.27 0.00 -1.18 0.00 0.00 61.69 60.79 2ik1 s THR 250 Cb 0.13 -3.56 0.35 0.00 1.34 0.00 0.00 72.50 70.76 2ik1 s THR 250 CO 0.20 0.26 2.12 -0.65 -0.54 0.00 0.00 174.62 176.01 2ik1 h PRO 251 N 3.56 0.00 -0.58 3.99 0.11 -1.85 -2.93 132.00 134.29 2ik1 h PRO 251 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2ik1 h PRO 251 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2ik1 h PRO 251 CO 0.71 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.75 2ik1 n THR 252 N -3.95 1.62 -1.74 -1.15 -2.24 -1.26 -4.98 114.28 100.58 2ik1 n THR 252 Ca 0.01 -1.20 -0.42 0.00 -2.27 0.00 0.00 64.05 60.17 2ik1 n THR 252 Cb 0.28 0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 2ik1 n THR 252 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ik1 n TYR 253 N 0.97 2.77 -3.15 4.78 9.36 -1.11 -2.66 117.16 128.11 2ik1 n TYR 253 Ca 0.23 0.29 0.04 0.00 3.32 0.00 0.00 57.90 61.77 2ik1 n TYR 253 Cb 0.78 -2.58 -0.00 0.00 -0.63 0.00 0.00 39.34 36.91 2ik1 n TYR 253 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2ik1 s SER 254 N 0.44 -1.49 0.33 2.98 0.15 0.62 -4.91 113.70 111.81 2ik1 s SER 254 Ca 0.64 0.03 0.02 0.00 0.70 0.00 0.00 55.95 57.34 2ik1 s SER 254 Cb -0.51 1.93 0.61 0.00 -1.71 0.00 0.00 66.02 66.33 2ik1 s SER 254 CO 0.49 -0.26 1.94 0.11 1.20 0.00 0.00 173.24 176.73 2ik1 h LYS 255 N 7.74 0.89 -0.10 5.44 1.57 -1.83 -2.72 116.57 127.57 2ik1 h LYS 255 Ca -0.01 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2ik1 h LYS 255 Cb 1.19 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.29 2ik1 h LYS 255 CO 0.12 0.59 0.11 0.00 -0.57 0.00 0.00 179.45 179.69 2ik1 h ALA 256 N 1.55 1.72 -0.64 3.86 0.00 -1.95 -2.98 119.26 120.81 2ik1 h ALA 256 Ca 0.34 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.37 2ik1 h ALA 256 Cb 0.16 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2ik1 h ALA 256 CO -0.11 -0.16 0.44 0.00 0.00 0.00 0.00 179.25 179.42 2ik1 h ALA 257 N 1.88 2.14 -0.67 0.00 0.00 -1.86 -2.26 119.26 118.49 2ik1 h ALA 257 Ca 0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2ik1 h ALA 257 Cb 0.26 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2ik1 h ALA 257 CO -0.00 -0.30 0.15 1.03 0.00 0.00 0.00 179.25 180.13 2ik1 h SER 258 N 0.34 1.03 0.26 0.00 0.87 -1.74 -2.89 113.55 111.42 2ik1 h SER 258 Ca 0.31 -0.24 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 2ik1 h SER 258 Cb 0.74 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2ik1 h SER 258 CO -0.08 1.01 -0.14 0.44 -0.53 0.00 0.00 176.83 177.53 2ik1 h ASP 259 N 1.01 0.00 0.90 6.23 3.32 -1.61 -2.87 116.42 123.40 2ik1 h ASP 259 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2ik1 h ASP 259 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2ik1 h ASP 259 CO 0.01 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 177.66 2ik1 n ALA 260 N -2.37 2.07 -2.24 3.45 0.00 -1.09 -4.80 120.51 115.52 2ik1 n ALA 260 Ca -0.02 -0.06 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 2ik1 n ALA 260 Cb 0.23 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.25 2ik1 n ALA 260 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2ik1 s ILE 261 N -3.05 4.03 0.88 0.00 -1.09 -1.08 -5.02 121.20 115.88 2ik1 s ILE 261 Ca 0.11 1.62 -0.10 0.00 -2.23 0.00 0.00 60.65 60.04 2ik1 s ILE 261 Cb 0.14 -4.03 0.13 0.00 -1.58 0.00 0.00 42.46 37.12 2ik1 s ILE 261 CO 0.45 0.21 1.14 -2.84 -1.23 0.00 0.00 174.94 172.68 2ik1 s PRO 262 N 0.22 1.25 0.84 2.79 0.02 -1.26 -4.98 135.00 133.89 2ik1 s PRO 262 Ca 0.52 1.51 -0.11 0.00 0.02 0.00 0.00 61.00 62.95 2ik1 s PRO 262 Cb -0.28 -1.76 0.10 0.00 0.02 0.00 0.00 34.50 32.58 2ik1 s PRO 262 CO 0.32 -2.45 1.10 -1.25 -0.33 0.00 0.00 177.00 174.39 2ik1 s PRO 263 N -4.65 1.65 0.27 5.54 0.04 -1.26 -4.96 135.00 131.63 2ik1 s PRO 263 Ca 0.66 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.60 2ik1 s PRO 263 Cb -0.22 -1.83 -0.14 0.00 0.04 0.00 0.00 34.50 32.35 2ik1 s PRO 263 CO 0.57 -2.08 1.08 0.00 0.04 0.00 0.00 177.00 176.61 2ik1 n ALA 264 N -3.82 -0.10 -3.04 8.56 0.00 -1.26 -4.86 120.51 115.99 2ik1 n ALA 264 Ca 0.09 0.40 -0.17 0.00 0.00 0.00 0.00 53.44 53.77 2ik1 n ALA 264 Cb 0.53 -2.06 -0.02 0.00 0.00 0.00 0.00 19.45 17.91 2ik1 n ALA 264 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ik1 n SER 265 N 1.37 1.27 -4.71 0.00 3.41 -0.13 -4.99 113.62 109.85 2ik1 n SER 265 Ca 0.10 -3.00 -0.42 0.00 -0.26 0.00 0.00 58.87 55.29 2ik1 n SER 265 Cb 0.31 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 63.64 2ik1 n SER 265 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2ik1 s LEU 266 N -2.67 4.36 0.27 1.04 0.20 -1.17 -1.34 118.68 119.37 2ik1 s LEU 266 Ca 0.38 2.29 0.12 0.00 0.69 0.00 0.00 54.13 57.60 2ik1 s LEU 266 Cb 0.37 -3.58 -0.05 0.00 -0.43 0.00 0.00 46.19 42.51 2ik1 s LEU 266 CO -0.06 -0.69 -0.20 -0.54 -0.29 0.00 0.00 176.35 174.57 2ik1 s LYS 267 N 1.57 1.68 0.51 1.98 1.02 -0.97 -4.92 119.74 120.62 2ik1 s LYS 267 Ca 0.65 -1.73 -0.21 0.00 0.02 0.00 0.00 55.97 54.70 2ik1 s LYS 267 Cb -0.36 -1.80 -0.08 0.00 -0.52 0.00 0.00 37.83 35.08 2ik1 s LYS 267 CO 0.29 0.34 1.02 0.00 -0.92 0.00 0.00 175.35 176.09 2ik1 n ALA 268 N -0.52 0.35 -1.61 5.17 0.00 -1.26 -4.40 120.51 118.23 2ik1 n ALA 268 Ca -0.06 0.12 -0.48 0.00 0.00 0.00 0.00 53.44 53.02 2ik1 n ALA 268 Cb 0.59 -2.12 -0.04 0.00 0.00 0.00 0.00 19.45 17.88 2ik1 n ALA 268 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ik1 n ASP 269 N -0.16 1.96 -4.83 0.00 9.92 -1.26 -4.40 116.55 117.77 2ik1 n ASP 269 Ca 0.11 1.13 -0.33 0.00 -0.53 0.00 0.00 54.79 55.17 2ik1 n ASP 269 Cb 0.43 -1.28 -0.04 0.00 -0.64 0.00 0.00 41.12 39.59 2ik1 n ASP 269 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ik1 s ALA 270 N 0.14 3.01 0.63 2.24 0.00 -0.36 -4.92 121.76 122.50 2ik1 s ALA 270 Ca 0.75 0.29 -0.18 0.00 0.00 0.00 0.00 51.96 52.83 2ik1 s ALA 270 Cb -0.81 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 19.15 2ik1 s ALA 270 CO 0.48 -0.20 1.21 -2.14 0.00 0.00 0.00 175.76 175.12 2ik1 s PRO 271 N -3.77 2.77 -0.11 0.00 0.02 -1.26 -4.76 135.00 127.89 2ik1 s PRO 271 Ca 0.61 1.82 -0.03 0.00 0.02 0.00 0.00 61.00 63.41 2ik1 s PRO 271 Cb -0.11 -1.90 -0.03 0.00 0.02 0.00 0.00 34.50 32.48 2ik1 s PRO 271 CO 0.26 -1.36 0.03 0.42 -0.33 0.00 0.00 177.00 176.01 2ik1 s ILE 272 N -1.67 4.52 0.26 2.83 1.01 -1.26 -5.00 121.20 121.89 2ik1 s ILE 272 Ca 0.77 -0.16 -0.30 0.00 0.00 0.00 0.00 60.65 60.96 2ik1 s ILE 272 Cb -0.31 -2.94 -0.14 0.00 0.01 0.00 0.00 42.46 39.09 2ik1 s ILE 272 CO 0.36 0.58 1.23 -0.67 0.00 0.00 0.00 174.94 176.45 2ik1 n ASP 273 N 2.40 2.10 0.32 3.58 2.03 -1.26 -4.83 116.55 120.89 2ik1 n ASP 273 Ca -0.18 1.17 0.20 0.00 0.52 0.00 0.00 54.79 56.49 2ik1 n ASP 273 Cb 0.54 -1.36 1.09 0.00 -0.72 0.00 0.00 41.12 40.66 2ik1 n ASP 273 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2ik1 h LYS 274 N 3.13 0.00 -0.40 -0.67 1.79 -2.04 -1.97 116.57 116.41 2ik1 h LYS 274 Ca -0.43 0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.14 2ik1 h LYS 274 Cb 1.31 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.94 2ik1 h LYS 274 CO 0.68 0.01 0.29 0.66 -1.08 0.00 0.00 179.45 180.00 2ik1 h SER 275 N 0.00 0.08 0.65 0.86 4.64 -2.01 -0.98 113.55 116.78 2ik1 h SER 275 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ik1 h SER 275 Cb 0.03 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2ik1 h SER 275 CO 0.00 0.05 0.00 0.40 -0.87 0.00 0.00 176.83 176.41 2ik1 h ILE 276 N 0.08 0.00 0.00 0.95 1.08 -1.71 -2.11 117.51 115.80 2ik1 h ILE 276 Ca 0.19 -0.29 -0.03 0.00 -0.39 0.00 0.00 64.86 64.34 2ik1 h ILE 276 Cb 0.65 1.16 -0.00 0.00 -3.07 0.00 0.00 36.82 35.55 2ik1 h ILE 276 CO -0.02 0.00 -0.16 0.44 -0.69 0.00 0.00 178.15 177.72 2ik1 h ASP 277 N 0.00 0.00 -2.90 1.72 3.32 -1.37 -3.42 116.42 113.77 2ik1 h ASP 277 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 2ik1 h ASP 277 Cb 0.32 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.97 2ik1 h ASP 277 CO 0.00 0.16 0.58 1.17 -1.72 0.00 0.00 179.24 179.43 2ik1 n LYS 278 N -4.24 2.08 -3.38 3.56 4.81 -0.80 -4.89 118.16 115.30 2ik1 n LYS 278 Ca -0.02 0.73 -0.39 0.00 -0.87 0.00 0.00 58.31 57.76 2ik1 n LYS 278 Cb 0.23 -2.36 -0.09 0.00 0.02 0.00 0.00 35.03 32.83 2ik1 n LYS 278 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 2ik1 s TRP 279 N -0.42 3.26 -0.07 5.64 -0.11 -1.26 -3.72 118.94 122.26 2ik1 s TRP 279 Ca 0.64 0.45 -0.14 0.00 1.22 0.00 0.00 56.10 58.26 2ik1 s TRP 279 Cb -0.62 -2.57 -0.05 0.00 -1.50 0.00 0.00 33.47 28.73 2ik1 s TRP 279 CO 0.54 -0.20 0.36 -0.06 -4.62 0.00 0.00 176.95 172.97 2ik1 s PHE 280 N 1.98 3.61 -0.37 5.86 0.40 0.62 -4.89 117.98 125.19 2ik1 s PHE 280 Ca 0.16 0.83 -0.07 0.00 -0.60 0.00 0.00 56.93 57.25 2ik1 s PHE 280 Cb -0.16 -2.31 0.06 0.00 0.51 0.00 0.00 43.02 41.13 2ik1 s PHE 280 CO 0.10 0.48 0.17 -0.06 0.70 0.00 0.00 175.22 176.60 2ik1 s PHE 281 N -0.41 3.32 -0.02 0.36 0.40 -1.26 -0.46 117.98 119.91 2ik1 s PHE 281 Ca 0.21 -1.60 -0.06 0.00 -0.60 0.00 0.00 56.93 54.88 2ik1 s PHE 281 Cb -0.15 -2.62 -0.29 0.00 0.51 0.00 0.00 43.02 40.47 2ik1 s PHE 281 CO 0.09 -0.80 0.78 0.82 0.70 0.00 0.00 175.22 176.82 2ik1 h ILE 282 N 6.18 1.07 0.00 0.64 1.08 -1.98 -3.50 117.51 121.00 2ik1 h ILE 282 Ca -0.22 -2.68 0.00 0.00 -0.39 0.00 0.00 64.86 61.57 2ik1 h ILE 282 Cb 1.08 2.76 0.00 0.00 -3.07 0.00 0.00 36.82 37.59 2ik1 h ILE 282 CO 0.66 0.83 0.00 -1.54 -0.69 0.00 0.00 178.15 177.41