#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ikb n THR 2 N 0.00 0.00 -4.10 0.00 5.66 -1.26 -4.84 114.28 109.74 3ikb n THR 2 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 3ikb n THR 2 Cb 0.00 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.68 3ikb n THR 2 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3ikb s SER 3 N -1.70 0.37 0.26 1.09 1.04 -1.26 -5.03 113.70 108.47 3ikb s SER 3 Ca 0.00 -1.07 -0.04 0.00 0.48 0.00 0.00 55.95 55.32 3ikb s SER 3 Cb 0.00 0.26 0.32 0.00 0.10 0.00 0.00 66.02 66.70 3ikb s SER 3 CO 0.00 -0.68 1.84 -0.07 0.98 0.00 0.00 173.24 175.31 3ikb h LEU 4 N 2.97 0.93 -0.72 2.42 3.38 -1.99 -1.77 115.31 120.53 3ikb h LEU 4 Ca -0.34 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 3ikb h LEU 4 Cb 1.17 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 3ikb h LEU 4 CO 0.61 0.83 0.33 -0.08 0.09 0.00 0.00 178.44 180.22 3ikb h GLU 5 N 1.00 1.05 -0.52 1.13 4.22 -1.99 0.73 114.58 120.20 3ikb h GLU 5 Ca 0.23 -0.17 -0.04 0.00 0.08 0.00 0.00 59.36 59.47 3ikb h GLU 5 Cb 0.18 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3ikb h GLU 5 CO -0.02 0.84 0.16 0.93 -2.18 0.00 0.00 179.01 178.74 3ikb h GLU 6 N 1.02 0.81 -0.43 1.92 5.08 -1.81 -1.34 114.58 119.83 3ikb h GLU 6 Ca 0.25 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3ikb h GLU 6 Cb 0.15 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3ikb h GLU 6 CO -0.03 0.75 0.24 0.82 -1.00 0.00 0.00 179.01 179.79 3ikb h ILE 7 N 0.72 1.15 -0.60 3.13 2.04 -1.04 -1.57 117.51 121.33 3ikb h ILE 7 Ca 0.17 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.69 3ikb h ILE 7 Cb 0.28 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 3ikb h ILE 7 CO -0.01 0.15 0.37 0.74 0.00 0.00 0.00 178.15 179.41 3ikb h THR 8 N 0.56 1.08 -0.77 -0.27 2.02 -0.59 -0.40 112.91 114.54 3ikb h THR 8 Ca 0.15 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 3ikb h THR 8 Cb 0.03 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 66.68 3ikb h THR 8 CO -0.03 0.13 0.41 0.11 0.37 0.00 0.00 175.52 176.52 3ikb h LYS 9 N 0.74 1.08 -0.44 6.66 1.57 -1.03 -2.86 116.57 122.29 3ikb h LYS 9 Ca 0.24 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3ikb h LYS 9 Cb 0.01 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 3ikb h LYS 9 CO -0.10 0.81 0.16 0.00 -0.57 0.00 0.00 179.45 179.75 3ikb h ALA 10 N 1.21 0.57 0.00 3.86 0.00 -0.45 -1.34 119.26 123.11 3ikb h ALA 10 Ca 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ikb h ALA 10 Cb 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ikb h ALA 10 CO -0.04 0.20 0.00 -0.89 0.00 0.00 0.00 179.25 178.52 3ikb n ILE 11 N -4.58 0.00 0.00 0.00 5.41 -0.24 -2.06 119.36 117.88 3ikb n ILE 11 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3ikb n ILE 11 Cb 0.17 -0.29 0.00 0.00 -0.71 0.00 0.00 39.64 38.80 3ikb n ILE 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ikb n ALA 13 N 0.79 0.00 -1.96 -1.39 0.00 -0.51 -4.68 120.51 112.76 3ikb n ALA 13 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3ikb n ALA 13 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3ikb n ALA 13 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ikb s ASP 14 N 0.00 6.63 0.63 0.00 -1.08 -0.88 -4.87 116.67 117.10 3ikb s ASP 14 Ca 0.00 2.59 0.40 0.00 -0.52 0.00 0.00 52.55 55.02 3ikb s ASP 14 Cb 0.00 -2.60 2.13 0.00 -1.46 0.00 0.00 42.92 41.00 3ikb s ASP 14 CO 0.00 -0.78 2.28 0.77 0.52 0.00 0.00 175.17 177.96 3ikb h SER 15 N 6.51 0.00 -0.42 -0.34 4.64 -1.93 0.10 113.55 122.11 3ikb h SER 15 Ca -0.43 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.01 3ikb h SER 15 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 3ikb h SER 15 CO 0.89 0.01 0.34 -0.61 -0.87 0.00 0.00 176.83 176.59 3ikb h GLN 16 N 0.00 0.00 -0.16 4.77 4.15 -1.92 -2.73 115.11 119.22 3ikb h GLN 16 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3ikb h GLN 16 Cb 0.10 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.79 3ikb h GLN 16 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 178.83 176.99 3ikb n ASN 17 N -4.17 2.81 -0.34 -0.69 3.02 0.02 -4.71 115.26 111.20 3ikb n ASN 17 Ca 0.07 -2.48 0.03 0.00 -0.03 0.00 0.00 54.58 52.17 3ikb n ASN 17 Cb 0.53 -0.29 0.21 0.00 -0.61 0.00 0.00 39.78 39.62 3ikb n ASN 17 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 3ikb h LYS 18 N 1.03 1.07 -0.73 3.52 2.10 -1.49 0.02 116.57 122.08 3ikb h LYS 18 Ca 0.00 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.58 3ikb h LYS 18 Cb 0.91 -0.24 -0.03 0.00 -0.90 0.00 0.00 32.23 31.96 3ikb h LYS 18 CO 0.06 0.70 0.43 0.28 -2.00 0.00 0.00 179.45 178.92 3ikb h VAL 19 N 1.10 1.21 -0.20 0.07 2.07 -1.84 -1.40 116.25 117.27 3ikb h VAL 19 Ca 0.41 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 3ikb h VAL 19 Cb 0.19 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3ikb h VAL 19 CO -0.16 0.22 -0.10 -0.26 0.02 0.00 0.00 177.57 177.29 3ikb h PHE 20 N 1.00 0.48 -0.74 1.57 0.04 -1.65 -3.05 116.94 114.59 3ikb h PHE 20 Ca 0.26 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.89 3ikb h PHE 20 Cb -0.02 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 37.99 3ikb h PHE 20 CO -0.01 0.72 0.40 1.15 -0.60 0.00 0.00 178.31 179.96 3ikb h THR 21 N 0.11 1.22 0.00 -1.55 2.02 -0.74 -0.64 112.91 113.33 3ikb h THR 21 Ca 0.04 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.66 3ikb h THR 21 Cb 0.59 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3ikb h THR 21 CO 0.03 0.25 0.00 -0.62 0.37 0.00 0.00 175.52 175.55 3ikb n GLU 22 N -4.35 0.04 -0.36 6.66 1.02 -0.55 -1.58 120.64 121.52 3ikb n GLU 22 Ca 0.07 0.25 0.07 0.00 -0.02 0.00 0.00 57.16 57.54 3ikb n GLU 22 Cb 0.10 -1.57 0.23 0.00 -0.02 0.00 0.00 31.44 30.18 3ikb n GLU 22 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3ikb n LYS 23 N -1.64 2.98 -3.68 3.49 5.02 -0.41 -4.97 118.16 118.94 3ikb n LYS 23 Ca 0.04 -2.55 -0.25 0.00 -2.02 0.00 0.00 58.31 53.53 3ikb n LYS 23 Cb 0.21 -1.64 0.06 0.00 -0.02 0.00 0.00 35.03 33.64 3ikb n LYS 23 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3ikb n ASN 24 N -0.05 -4.96 -4.26 4.39 5.15 -0.61 -4.99 115.26 109.93 3ikb n ASN 24 Ca 0.18 -0.64 -0.36 0.00 -0.60 0.00 0.00 54.58 53.16 3ikb n ASN 24 Cb 0.72 -4.63 -0.13 0.00 -0.53 0.00 0.00 39.78 35.21 3ikb n ASN 24 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3ikb s ILE 25 N -3.35 3.39 0.40 -1.44 1.01 -0.38 -5.03 121.20 115.80 3ikb s ILE 25 Ca 0.49 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 60.13 3ikb s ILE 25 Cb -0.23 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 3ikb s ILE 25 CO 0.77 0.07 0.69 -1.61 0.00 0.00 0.00 174.94 174.86 3ikb s GLU 26 N 1.39 3.60 0.37 2.79 2.02 -1.26 -3.98 118.70 123.62 3ikb s GLU 26 Ca 0.00 0.12 -0.28 0.00 0.02 0.00 0.00 54.97 54.83 3ikb s GLU 26 Cb -0.18 -2.49 -0.10 0.00 0.10 0.00 0.00 34.13 31.47 3ikb s GLU 26 CO -0.01 -0.02 1.39 -1.25 0.02 0.00 0.00 175.26 175.39 3ikb s PRO 27 N -4.24 4.15 -0.27 0.39 0.04 -1.26 -4.93 135.00 128.89 3ikb s PRO 27 Ca 0.46 2.37 -0.07 0.00 0.04 0.00 0.00 61.00 63.80 3ikb s PRO 27 Cb -0.10 -2.96 -0.01 0.00 0.04 0.00 0.00 34.50 31.47 3ikb s PRO 27 CO 0.37 -0.41 0.08 -1.17 0.04 0.00 0.00 177.00 175.91 3ikb s LEU 28 N -2.07 3.65 -0.02 -3.56 2.96 -0.19 -5.04 118.68 114.40 3ikb s LEU 28 Ca 0.52 -0.45 -0.20 0.00 -0.22 0.00 0.00 54.13 53.79 3ikb s LEU 28 Cb -0.43 -1.91 0.04 0.00 0.50 0.00 0.00 46.19 44.39 3ikb s LEU 28 CO 0.57 -0.11 0.42 0.72 -1.32 0.00 0.00 176.35 176.63 3ikb s PHE 29 N 1.57 -0.32 -0.27 5.38 -0.12 -1.26 -4.59 117.98 118.36 3ikb s PHE 29 Ca 0.05 0.52 -0.00 0.00 -0.05 0.00 0.00 56.93 57.44 3ikb s PHE 29 Cb -0.16 0.19 0.05 0.00 -0.63 0.00 0.00 43.02 42.47 3ikb s PHE 29 CO 0.03 -0.46 -0.05 0.00 -0.05 0.00 0.00 175.22 174.69 3ikb s ALA 30 N -1.32 2.70 -0.42 1.99 0.00 0.11 -4.98 121.76 119.83 3ikb s ALA 30 Ca -0.13 -1.69 0.11 0.00 0.00 0.00 0.00 51.96 50.25 3ikb s ALA 30 Cb -0.04 -1.75 0.37 0.00 0.00 0.00 0.00 23.12 21.70 3ikb s ALA 30 CO 0.06 -1.13 0.83 0.00 0.00 0.00 0.00 175.76 175.52 3ikb n ALA 31 N 4.57 3.03 -1.85 0.00 0.00 -1.26 -0.68 120.51 124.31 3ikb n ALA 31 Ca -0.14 -3.74 -0.41 0.00 0.00 0.00 0.00 53.44 49.14 3ikb n ALA 31 Cb 0.44 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 3ikb n ALA 31 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ikb s PRO 32 N -2.84 4.25 0.53 0.00 0.04 -1.26 -4.87 135.00 130.85 3ikb s PRO 32 Ca 0.41 2.34 0.36 0.00 0.04 0.00 0.00 61.00 64.15 3ikb s PRO 32 Cb 0.35 -3.09 1.76 0.00 0.04 0.00 0.00 34.50 33.56 3ikb s PRO 32 CO -0.09 -0.43 2.07 1.57 0.04 0.00 0.00 177.00 180.16 3ikb h LYS 33 N 4.78 0.00 0.00 4.56 2.10 -1.89 0.40 116.57 126.52 3ikb h LYS 33 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 3ikb h LYS 33 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3ikb h LYS 33 CO 0.76 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.46 3ikb n THR 34 N -2.87 0.07 -1.89 0.07 -2.24 -1.26 -4.49 114.28 101.67 3ikb n THR 34 Ca -0.01 0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 3ikb n THR 34 Cb 0.16 -0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 67.79 3ikb n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ikb s ALA 35 N -2.28 3.67 -0.02 6.98 0.00 0.13 -4.51 121.76 125.73 3ikb s ALA 35 Ca 0.34 1.46 0.08 0.00 0.00 0.00 0.00 51.96 53.84 3ikb s ALA 35 Cb 0.19 -3.60 -0.12 0.00 0.00 0.00 0.00 23.12 19.58 3ikb s ALA 35 CO 0.36 -0.88 0.16 0.54 0.00 0.00 0.00 175.76 175.95 3ikb n ARG 36 N 1.97 0.46 -4.32 0.00 1.74 0.58 -3.02 116.66 114.06 3ikb n ARG 36 Ca 0.06 -0.07 -0.27 0.00 -0.77 0.00 0.00 57.85 56.80 3ikb n ARG 36 Cb 0.39 -1.19 -0.17 0.00 -1.02 0.00 0.00 32.46 30.47 3ikb n ARG 36 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3ikb s ILE 37 N -2.53 1.33 -0.24 0.55 1.01 -0.53 -0.28 121.20 120.52 3ikb s ILE 37 Ca -0.03 -0.53 -0.09 0.00 0.00 0.00 0.00 60.65 60.00 3ikb s ILE 37 Cb 0.05 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.24 3ikb s ILE 37 CO 0.33 0.41 0.11 0.21 0.00 0.00 0.00 174.94 176.00 3ikb s ASN 38 N 1.12 5.62 -0.29 3.58 2.47 -0.36 -0.50 114.94 126.57 3ikb s ASN 38 Ca -0.05 -0.04 -0.11 0.00 0.42 0.00 0.00 52.86 53.08 3ikb s ASN 38 Cb -0.14 -2.01 -0.04 0.00 -1.45 0.00 0.00 41.25 37.61 3ikb s ASN 38 CO -0.03 0.02 0.19 -0.63 -3.72 0.00 0.00 177.10 172.94 3ikb s ILE 39 N 1.28 5.17 -0.39 -5.21 1.01 0.35 -0.39 121.20 123.02 3ikb s ILE 39 Ca 0.06 0.01 -0.07 0.00 0.00 0.00 0.00 60.65 60.64 3ikb s ILE 39 Cb -0.14 -3.52 0.07 0.00 0.01 0.00 0.00 42.46 38.88 3ikb s ILE 39 CO 0.05 0.18 0.20 -0.69 0.00 0.00 0.00 174.94 174.68 3ikb s VAL 40 N 1.73 3.91 0.00 2.92 1.01 0.26 -1.97 120.40 128.26 3ikb s VAL 40 Ca 0.07 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.62 3ikb s VAL 40 Cb -0.16 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.84 3ikb s VAL 40 CO 0.10 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.38 3ikb n GLY 41 N 4.83 3.37 0.01 4.51 0.00 -1.26 -0.56 105.19 116.08 3ikb n GLY 41 Ca -0.10 -1.88 -0.00 0.00 0.00 0.00 0.00 46.02 44.04 3ikb n GLY 41 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3ikb h GLN 42 N 0.00 0.00 -1.25 1.61 4.15 -1.94 -3.42 115.11 114.27 3ikb h GLN 42 Ca 0.00 0.00 0.24 0.00 0.77 0.00 0.00 58.65 59.66 3ikb h GLN 42 Cb 0.00 0.00 -0.23 0.00 0.21 0.00 0.00 27.48 27.46 3ikb h GLN 42 CO 0.00 0.00 0.87 0.00 -1.93 0.00 0.00 178.83 177.77 3ikb s ALA 43 N -2.95 -2.10 0.59 3.38 0.00 -1.26 -1.63 121.76 117.79 3ikb s ALA 43 Ca -0.01 1.77 -0.17 0.00 0.00 0.00 0.00 51.96 53.54 3ikb s ALA 43 Cb 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 3ikb s ALA 43 CO 0.02 -0.42 1.11 -1.25 0.00 0.00 0.00 175.76 175.23 3ikb s PRO 44 N -1.66 3.16 0.09 0.00 0.04 -1.26 -5.00 135.00 130.38 3ikb s PRO 44 Ca 0.08 1.48 -0.00 0.00 0.04 0.00 0.00 61.00 62.60 3ikb s PRO 44 Cb -0.01 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.56 3ikb s PRO 44 CO -0.05 -0.97 0.12 0.41 0.04 0.00 0.00 177.00 176.55 3ikb n GLY 45 N -0.23 0.52 0.26 0.56 0.00 -1.26 -3.89 105.19 101.16 3ikb n GLY 45 Ca 0.11 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.20 3ikb n GLY 45 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ikb h ILE 46 N -0.49 1.20 -0.10 -0.61 2.10 -1.97 0.13 117.51 117.78 3ikb h ILE 46 Ca -0.04 -0.86 -0.14 0.00 1.08 0.00 0.00 64.86 64.90 3ikb h ILE 46 Cb 0.14 1.09 0.01 0.00 -1.09 0.00 0.00 36.82 36.97 3ikb h ILE 46 CO 0.04 0.28 -0.48 0.11 -1.08 0.00 0.00 178.15 177.03 3ikb h LYS 47 N 0.41 0.51 -0.51 2.19 1.57 -1.99 -1.96 116.57 116.79 3ikb h LYS 47 Ca 0.08 -0.41 -0.10 0.00 -1.87 0.00 0.00 60.65 58.36 3ikb h LYS 47 Cb 0.40 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 3ikb h LYS 47 CO 0.02 1.03 -0.09 0.00 -0.57 0.00 0.00 179.45 179.85 3ikb h ALA 48 N 0.48 0.89 -1.00 3.86 0.00 -1.77 0.12 119.26 121.84 3ikb h ALA 48 Ca -0.03 -0.33 0.20 0.00 0.00 0.00 0.00 54.91 54.75 3ikb h ALA 48 Cb 1.12 -0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.61 3ikb h ALA 48 CO 0.10 0.64 0.61 0.37 0.00 0.00 0.00 179.25 180.97 3ikb h GLN 49 N 0.83 0.67 0.22 0.00 4.15 -0.81 -0.01 115.11 120.15 3ikb h GLN 49 Ca 0.14 -0.04 -0.34 0.00 0.77 0.00 0.00 58.65 59.18 3ikb h GLN 49 Cb 0.61 -0.15 0.03 0.00 0.21 0.00 0.00 27.48 28.18 3ikb h GLN 49 CO 0.04 0.44 -1.58 1.49 -1.93 0.00 0.00 178.83 177.30 3ikb h GLU 50 N 0.69 0.47 0.00 1.69 4.57 -0.87 -3.36 114.58 117.78 3ikb h GLU 50 Ca 0.58 -0.80 -0.03 0.00 -1.18 0.00 0.00 59.36 57.93 3ikb h GLU 50 Cb 1.00 0.30 -0.00 0.00 -0.16 0.00 0.00 28.75 29.88 3ikb h GLU 50 CO -0.37 1.38 -0.13 0.66 -1.18 0.00 0.00 179.01 179.38 3ikb h SER 51 N 0.10 0.00 -2.84 1.04 4.64 -0.74 -3.47 113.55 112.28 3ikb h SER 51 Ca -0.29 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.64 3ikb h SER 51 Cb 2.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.19 3ikb h SER 51 CO 0.23 0.13 -0.50 0.54 -0.87 0.00 0.00 176.83 176.36 3ikb n ARG 52 N -3.16 -1.72 -4.14 4.77 5.12 -0.04 -5.02 116.66 112.48 3ikb n ARG 52 Ca 0.03 0.93 -0.16 0.00 -1.93 0.00 0.00 57.85 56.72 3ikb n ARG 52 Cb 0.53 -5.52 -0.15 0.00 -1.16 0.00 0.00 32.46 26.16 3ikb n ARG 52 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3ikb s LEU 53 N -5.60 1.85 0.22 0.55 1.43 -1.25 -5.02 118.68 110.86 3ikb s LEU 53 Ca 0.02 -0.09 -0.05 0.00 -1.03 0.00 0.00 54.13 52.98 3ikb s LEU 53 Cb -0.01 -0.29 -0.05 0.00 0.03 0.00 0.00 46.19 45.87 3ikb s LEU 53 CO 0.02 0.04 0.47 -0.31 0.23 0.00 0.00 176.35 176.80 3ikb s TYR 54 N 0.11 3.47 -1.84 0.29 2.02 -1.26 -4.53 117.35 115.60 3ikb s TYR 54 Ca -0.01 0.60 0.00 0.00 -0.37 0.00 0.00 57.07 57.29 3ikb s TYR 54 Cb -0.05 -2.06 0.00 0.00 -0.40 0.00 0.00 41.96 39.46 3ikb s TYR 54 CO -0.00 0.30 0.00 0.91 -1.57 0.00 0.00 175.55 175.19 3ikb n TRP 55 N -0.44 -0.03 -2.30 2.71 7.02 -1.26 -4.89 117.44 118.26 3ikb n TRP 55 Ca -0.02 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.05 3ikb n TRP 55 Cb 0.53 -3.00 0.00 0.00 -2.42 0.00 0.00 31.31 26.42 3ikb n TRP 55 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 3ikb n ASN 56 N -0.82 7.37 -2.96 -0.99 4.05 -1.26 -3.91 115.26 116.73 3ikb n ASN 56 Ca -0.18 -3.32 -0.06 0.00 0.45 0.00 0.00 54.58 51.47 3ikb n ASN 56 Cb 0.57 -1.31 0.03 0.00 1.23 0.00 0.00 39.78 40.30 3ikb n ASN 56 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 3ikb n ASP 57 N 1.43 -2.05 -0.26 1.20 5.68 -1.26 -5.02 116.55 116.27 3ikb n ASP 57 Ca 0.52 -2.30 -0.02 0.00 -0.50 0.00 0.00 54.79 52.49 3ikb n ASP 57 Cb 0.27 3.39 0.15 0.00 -1.14 0.00 0.00 41.12 43.79 3ikb n ASP 57 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3ikb h LYS 58 N 0.00 1.10 -0.34 0.11 1.79 -1.99 0.27 116.57 117.52 3ikb h LYS 58 Ca -0.31 -0.13 0.05 0.00 -2.18 0.00 0.00 60.65 58.08 3ikb h LYS 58 Cb 1.21 -0.22 -0.04 0.00 -1.58 0.00 0.00 32.23 31.59 3ikb h LYS 58 CO 0.40 0.81 0.06 0.77 -1.08 0.00 0.00 179.45 180.41 3ikb h SER 59 N 1.11 0.01 -0.38 0.86 0.02 -1.91 -1.27 113.55 111.99 3ikb h SER 59 Ca 0.28 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.22 3ikb h SER 59 Cb 0.04 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3ikb h SER 59 CO -0.04 0.04 0.02 1.23 -1.14 0.00 0.00 176.83 176.94 3ikb h GLY 60 N 0.18 0.80 0.91 -3.77 0.00 -1.52 -0.66 103.07 99.02 3ikb h GLY 60 Ca 0.16 -0.51 0.02 0.00 0.00 0.00 0.00 47.33 47.00 3ikb h GLY 60 CO -0.21 0.47 0.41 -0.55 0.00 0.00 0.00 176.54 176.67 3ikb h ASP 61 N 0.70 0.69 -0.52 0.19 3.32 -0.38 -0.15 116.42 120.27 3ikb h ASP 61 Ca 0.14 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3ikb h ASP 61 Cb 0.40 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3ikb h ASP 61 CO 0.01 0.49 0.28 -0.09 -1.72 0.00 0.00 179.24 178.21 3ikb h ARG 62 N 0.82 0.73 -0.57 3.56 2.43 -0.95 -1.92 114.38 118.48 3ikb h ARG 62 Ca 0.25 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 3ikb h ARG 62 Cb -0.02 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 3ikb h ARG 62 CO -0.09 0.57 0.12 1.25 -1.51 0.00 0.00 179.97 180.32 3ikb h LEU 63 N 0.69 0.88 -0.73 3.80 5.85 -0.71 0.13 115.31 125.22 3ikb h LEU 63 Ca 0.18 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 3ikb h LEU 63 Cb 0.06 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3ikb h LEU 63 CO -0.03 0.90 0.32 0.03 -0.34 0.00 0.00 178.44 179.32 3ikb h ARG 64 N 0.83 1.08 -0.36 1.25 3.08 -0.94 -2.26 114.38 117.06 3ikb h ARG 64 Ca 0.18 -0.18 0.04 0.00 0.07 0.00 0.00 59.98 60.09 3ikb h ARG 64 Cb 0.37 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 3ikb h ARG 64 CO 0.01 0.87 0.14 1.49 -1.07 0.00 0.00 179.97 181.40 3ikb h GLU 65 N 1.04 0.29 -0.22 0.04 4.81 -1.07 0.11 114.58 119.58 3ikb h GLU 65 Ca 0.25 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3ikb h GLU 65 Cb 0.17 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3ikb h GLU 65 CO -0.03 0.19 0.00 0.91 -0.73 0.00 0.00 179.01 179.36 3ikb n TRP 66 N -5.00 0.00 -1.86 0.92 8.01 0.01 -4.71 117.44 114.81 3ikb n TRP 66 Ca 0.01 0.00 -0.04 0.00 -1.31 0.00 0.00 57.50 56.17 3ikb n TRP 66 Cb 0.12 -0.01 -0.03 0.00 -2.01 0.00 0.00 31.31 29.38 3ikb n TRP 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3ikb n GLY 68 N 0.48 0.12 3.32 6.99 0.00 0.33 -4.25 105.19 112.18 3ikb n GLY 68 Ca 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 3ikb n GLY 68 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ikb s VAL 69 N 0.01 2.01 0.80 1.61 -7.23 -0.79 -5.03 120.40 111.77 3ikb s VAL 69 Ca 0.01 -1.40 -0.10 0.00 -1.81 0.00 0.00 61.98 58.67 3ikb s VAL 69 Cb 0.03 -1.74 0.10 0.00 0.56 0.00 0.00 36.38 35.33 3ikb s VAL 69 CO -0.01 0.26 1.15 1.51 -0.31 0.00 0.00 175.10 177.69 3ikb s ASP 70 N -1.39 4.30 0.12 4.85 1.47 -1.26 -4.35 116.67 120.41 3ikb s ASP 70 Ca 0.11 0.50 -0.23 0.00 1.18 0.00 0.00 52.55 54.10 3ikb s ASP 70 Cb -0.10 -0.94 -0.07 0.00 -0.34 0.00 0.00 42.92 41.47 3ikb s ASP 70 CO 0.03 -1.98 1.68 0.22 0.68 0.00 0.00 175.17 175.80 3ikb h TYR 71 N -1.00 -0.33 -0.48 2.11 3.20 -1.99 -1.03 116.97 117.44 3ikb h TYR 71 Ca -0.45 0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.52 3ikb h TYR 71 Cb 1.30 0.15 -0.07 0.00 1.54 0.00 0.00 36.73 39.66 3ikb h TYR 71 CO -0.02 -0.20 0.09 0.22 -1.64 0.00 0.00 178.16 176.62 3ikb h ASP 72 N -0.21 -0.01 -0.67 -2.11 3.58 -1.99 -2.11 116.42 112.90 3ikb h ASP 72 Ca 0.06 0.09 -0.07 0.00 0.42 0.00 0.00 57.03 57.52 3ikb h ASP 72 Cb 0.28 0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.42 3ikb h ASP 72 CO -0.15 0.03 0.14 0.74 -2.88 0.00 0.00 179.24 177.12 3ikb h THR 73 N 0.23 1.26 -0.24 2.25 2.02 -1.89 0.12 112.91 116.66 3ikb h THR 73 Ca 0.24 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 3ikb h THR 73 Cb 0.32 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3ikb h THR 73 CO -0.32 0.38 0.10 0.15 0.37 0.00 0.00 175.52 176.21 3ikb h PHE 74 N 1.04 0.35 0.00 3.16 3.57 -0.85 -1.78 116.94 122.44 3ikb h PHE 74 Ca 0.21 -0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.52 3ikb h PHE 74 Cb 0.40 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 3ikb h PHE 74 CO 0.03 0.36 -1.24 1.88 -2.23 0.00 0.00 178.31 177.12 3ikb h TYR 75 N 0.24 0.00 0.00 0.41 0.05 -1.27 -3.42 116.97 112.98 3ikb h TYR 75 Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.86 3ikb h TYR 75 Cb 0.15 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.89 3ikb h TYR 75 CO -0.02 0.64 0.00 0.72 -1.05 0.00 0.00 178.16 178.46 3ikb n HIS 76 N -3.01 0.00 0.00 4.88 8.25 0.39 -4.66 115.22 121.07 3ikb n HIS 76 Ca -0.07 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.35 3ikb n HIS 76 Cb 0.85 0.00 0.21 0.00 1.12 0.00 0.00 29.99 32.17 3ikb n HIS 76 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3ikb h SER 77 N 0.00 0.51 0.00 0.41 4.64 -1.38 -3.47 113.55 114.27 3ikb h SER 77 Ca 0.00 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3ikb h SER 77 Cb 0.01 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3ikb h SER 77 CO 0.00 0.72 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 3ikb n GLY 78 N -0.47 0.75 0.09 -0.77 0.00 -1.26 -4.97 105.19 98.56 3ikb n GLY 78 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3ikb n GLY 78 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ikb n TYR 79 N -2.33 0.00 -4.31 1.61 4.01 -1.26 -2.88 117.16 112.00 3ikb n TYR 79 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 3ikb n TYR 79 Cb 0.00 -0.19 -0.13 0.00 -0.31 0.00 0.00 39.34 38.72 3ikb n TYR 79 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3ikb s PHE 80 N -2.82 2.98 0.09 -0.72 0.08 -1.26 -0.31 117.98 116.02 3ikb s PHE 80 Ca 0.15 -0.50 0.01 0.00 0.12 0.00 0.00 56.93 56.72 3ikb s PHE 80 Cb 0.18 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 3ikb s PHE 80 CO 0.65 -0.20 0.23 0.00 -0.10 0.00 0.00 175.22 175.80 3ikb s ALA 81 N 0.69 3.98 -0.20 5.36 0.00 0.34 -4.65 121.76 127.28 3ikb s ALA 81 Ca -0.02 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 3ikb s ALA 81 Cb -0.15 -1.80 0.07 0.00 0.00 0.00 0.00 23.12 21.24 3ikb s ALA 81 CO 0.02 0.72 0.07 0.08 0.00 0.00 0.00 175.76 176.65 3ikb s VAL 82 N -1.59 0.29 -0.49 0.00 1.01 0.14 -0.50 120.40 119.26 3ikb s VAL 82 Ca 0.35 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.85 3ikb s VAL 82 Cb -0.12 -0.93 0.16 0.00 0.00 0.00 0.00 36.38 35.49 3ikb s VAL 82 CO 0.28 -0.32 0.34 -0.63 0.00 0.00 0.00 175.10 174.77 3ikb s ILE 83 N 1.95 1.33 0.00 2.22 1.01 -0.83 -0.71 121.20 126.17 3ikb s ILE 83 Ca 0.02 -2.99 0.00 0.00 0.00 0.00 0.00 60.65 57.68 3ikb s ILE 83 Cb -0.17 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.40 3ikb s ILE 83 CO -0.12 -1.05 0.00 -0.81 0.00 0.00 0.00 174.94 172.95 3ikb n PRO 84 N 2.91 0.00 -1.30 2.79 -0.04 -1.26 -4.51 135.00 133.58 3ikb n PRO 84 Ca 0.19 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.20 3ikb n PRO 84 Cb 0.40 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.82 3ikb n PRO 84 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3ikb n ASP 86 N 0.00 -1.03 -0.57 3.54 -0.08 -0.64 -4.92 116.55 112.86 3ikb n ASP 86 Ca 0.00 1.05 0.12 0.00 -1.51 0.00 0.00 54.79 54.45 3ikb n ASP 86 Cb 0.00 -0.87 0.42 0.00 2.34 0.00 0.00 41.12 43.00 3ikb n ASP 86 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3ikb n PHE 87 N 0.16 0.13 -4.25 -0.67 3.72 -1.26 -4.14 117.46 111.15 3ikb n PHE 87 Ca 0.17 -0.07 -0.21 0.00 -0.05 0.00 0.00 57.45 57.29 3ikb n PHE 87 Cb 0.21 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.63 3ikb n PHE 87 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3ikb s TYR 88 N -1.87 1.58 -0.13 1.38 2.02 -1.26 -1.02 117.35 118.05 3ikb s TYR 88 Ca 0.35 -0.45 -0.29 0.00 -0.37 0.00 0.00 57.07 56.30 3ikb s TYR 88 Cb 0.19 -0.86 -0.04 0.00 -0.40 0.00 0.00 41.96 40.85 3ikb s TYR 88 CO 0.29 0.17 1.70 -0.47 -1.57 0.00 0.00 175.55 175.68 3ikb s TYR 89 N -1.42 1.92 -1.53 2.71 5.04 -1.25 -4.37 117.35 118.45 3ikb s TYR 89 Ca 0.05 0.32 0.30 0.00 -2.44 0.00 0.00 57.07 55.30 3ikb s TYR 89 Cb -0.09 -3.97 1.54 0.00 0.35 0.00 0.00 41.96 39.80 3ikb s TYR 89 CO 0.04 -3.60 2.04 -2.30 -1.34 0.00 0.00 175.55 170.39 3ikb n PRO 90 N 7.51 0.51 0.00 4.97 -0.02 -1.26 -5.00 135.00 141.71 3ikb n PRO 90 Ca 0.19 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 3ikb n PRO 90 Cb 0.44 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 3ikb n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ikb n GLY 91 N 1.15 2.34 3.63 -1.23 0.00 -1.26 -4.71 105.19 105.11 3ikb n GLY 91 Ca 0.15 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 3ikb n GLY 91 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ikb s LYS 92 N -2.42 4.08 0.49 1.61 2.20 -1.26 0.32 119.74 124.76 3ikb s LYS 92 Ca 0.00 0.79 0.08 0.00 -0.36 0.00 0.00 55.97 56.47 3ikb s LYS 92 Cb 0.00 -3.68 0.08 0.00 -1.51 0.00 0.00 37.83 32.71 3ikb s LYS 92 CO 0.00 -0.60 0.63 0.41 -0.36 0.00 0.00 175.35 175.44 3ikb n GLY 93 N 3.96 2.07 0.34 5.54 0.00 0.23 -4.74 105.19 112.59 3ikb n GLY 93 Ca 0.05 -2.22 0.07 0.00 0.00 0.00 0.00 46.02 43.92 3ikb n GLY 93 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3ikb h LYS 94 N 0.00 0.57 0.00 1.61 -0.00 -1.97 -3.30 116.57 113.48 3ikb h LYS 94 Ca -0.24 -0.03 -0.20 0.00 -0.00 0.00 0.00 60.65 60.17 3ikb h LYS 94 Cb 1.06 -0.13 -0.04 0.00 -0.00 0.00 0.00 32.23 33.12 3ikb h LYS 94 CO 0.34 0.37 -1.78 -1.13 -0.00 0.00 0.00 179.45 177.26 3ikb n SER 95 N -4.47 2.87 0.00 7.07 3.41 -1.26 -5.10 113.62 116.14 3ikb n SER 95 Ca 0.07 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 3ikb n SER 95 Cb 0.20 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 3ikb n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ikb n GLY 96 N 2.79 3.58 3.79 5.00 0.00 -1.24 -5.15 105.19 113.97 3ikb n GLY 96 Ca -0.24 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 3ikb n GLY 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ikb s ASP 97 N 1.79 6.98 1.06 1.61 1.01 -1.26 0.76 116.67 128.62 3ikb s ASP 97 Ca 0.00 1.85 -0.12 0.00 0.71 0.00 0.00 52.55 55.00 3ikb s ASP 97 Cb 0.00 -2.57 0.23 0.00 1.01 0.00 0.00 42.92 41.59 3ikb s ASP 97 CO 0.00 -0.33 1.08 -0.76 0.21 0.00 0.00 175.17 175.37 3ikb s LEU 98 N -2.67 1.72 0.73 1.23 1.43 0.15 -4.56 118.68 116.72 3ikb s LEU 98 Ca 0.57 1.84 -0.11 0.00 -1.03 0.00 0.00 54.13 55.40 3ikb s LEU 98 Cb -0.16 -3.95 0.03 0.00 0.03 0.00 0.00 46.19 42.14 3ikb s LEU 98 CO 0.21 -3.76 1.08 -2.16 0.23 0.00 0.00 176.35 171.95 3ikb s PRO 99 N -4.53 2.64 0.39 1.29 0.04 -1.26 -4.64 135.00 128.93 3ikb s PRO 99 Ca 0.68 0.75 -0.27 0.00 0.04 0.00 0.00 61.00 62.20 3ikb s PRO 99 Cb -0.24 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 32.22 3ikb s PRO 99 CO 0.62 -1.26 1.34 -0.35 0.04 0.00 0.00 177.00 177.39 3ikb n PRO 100 N -3.21 2.19 -2.05 0.56 -0.04 -1.26 -4.78 135.00 126.41 3ikb n PRO 100 Ca 0.07 0.77 -0.41 0.00 -0.04 0.00 0.00 63.50 63.89 3ikb n PRO 100 Cb 0.55 -2.45 -0.02 0.00 -0.04 0.00 0.00 33.50 31.53 3ikb n PRO 100 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3ikb s ARG 101 N -2.11 4.28 0.34 0.54 0.52 -1.26 -4.95 118.95 116.32 3ikb s ARG 101 Ca 0.58 2.26 -0.29 0.00 -0.52 0.00 0.00 55.73 57.76 3ikb s ARG 101 Cb -0.51 -3.13 -0.11 0.00 0.52 0.00 0.00 34.95 31.72 3ikb s ARG 101 CO 0.61 -0.41 1.48 0.15 0.02 0.00 0.00 175.30 177.15 3ikb s LYS 102 N -0.15 4.16 0.00 3.54 -0.14 -1.26 -2.66 119.74 123.23 3ikb s LYS 102 Ca 0.60 2.49 0.00 0.00 -1.36 0.00 0.00 55.97 57.70 3ikb s LYS 102 Cb -0.41 -3.01 0.00 0.00 -1.68 0.00 0.00 37.83 32.73 3ikb s LYS 102 CO 0.41 -0.49 0.00 0.41 -0.76 0.00 0.00 175.35 174.92 3ikb n GLY 103 N 1.06 1.57 0.07 -3.33 0.00 -1.26 -4.94 105.19 98.36 3ikb n GLY 103 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 3ikb n GLY 103 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3ikb h PHE 104 N 0.00 0.05 -0.97 1.61 3.57 -1.91 -3.07 116.94 116.22 3ikb h PHE 104 Ca 0.00 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.53 3ikb h PHE 104 Cb 0.00 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.67 3ikb h PHE 104 CO 0.00 0.64 0.64 0.00 -2.23 0.00 0.00 178.31 177.35 3ikb h ALA 105 N 0.41 1.41 -1.01 2.41 0.00 -1.92 -1.31 119.26 119.24 3ikb h ALA 105 Ca -0.00 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.11 3ikb h ALA 105 Cb 0.64 -0.32 -0.12 0.00 0.00 0.00 0.00 17.79 17.99 3ikb h ALA 105 CO 0.01 0.47 0.61 0.37 0.00 0.00 0.00 179.25 180.71 3ikb h GLN 106 N 1.18 0.59 -0.02 0.00 4.15 -1.96 -1.85 115.11 117.20 3ikb h GLN 106 Ca 0.41 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.70 3ikb h GLN 106 Cb 0.10 -0.13 0.01 0.00 0.21 0.00 0.00 27.48 27.66 3ikb h GLN 106 CO -0.14 0.39 -0.32 0.87 -1.93 0.00 0.00 178.83 177.70 3ikb h LYS 107 N 0.61 0.25 0.00 1.69 1.57 -1.15 -3.44 116.57 116.11 3ikb h LYS 107 Ca 0.62 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 59.15 3ikb h LYS 107 Cb 1.17 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.54 3ikb h LYS 107 CO -0.43 0.94 -1.03 0.91 -0.57 0.00 0.00 179.45 179.26 3ikb n TRP 108 N -4.45 0.00 0.01 -1.35 7.02 -1.00 -4.77 117.44 112.90 3ikb n TRP 108 Ca -0.09 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.27 3ikb n TRP 108 Cb 0.52 -0.02 -0.07 0.00 -2.42 0.00 0.00 31.31 29.32 3ikb n TRP 108 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 3ikb h HIS 109 N 0.00 0.05 -0.60 -5.99 3.86 -1.59 -3.09 115.15 107.78 3ikb h HIS 109 Ca -0.00 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3ikb h HIS 109 Cb 0.10 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 3ikb h HIS 109 CO 0.00 0.19 0.39 0.37 0.86 0.00 0.00 177.93 179.75 3ikb h GLN 110 N -0.10 0.78 -0.38 2.45 5.75 -1.86 0.56 115.11 122.30 3ikb h GLN 110 Ca 0.01 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 3ikb h GLN 110 Cb 0.16 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 3ikb h GLN 110 CO -0.00 0.52 0.19 -1.35 -2.65 0.00 0.00 178.83 175.53 3ikb h PRO 111 N 0.80 0.52 -0.02 -2.39 0.11 -1.87 0.10 132.00 129.26 3ikb h PRO 111 Ca 0.22 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 3ikb h PRO 111 Cb -0.08 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 30.93 3ikb h PRO 111 CO -0.06 0.40 -0.03 0.82 -0.21 0.00 0.00 178.00 178.93 3ikb h ILE 112 N 0.53 1.40 -0.29 4.15 2.04 -1.28 -3.13 117.51 120.93 3ikb h ILE 112 Ca 0.14 -1.24 0.04 0.00 1.00 0.00 0.00 64.86 64.80 3ikb h ILE 112 Cb 0.05 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 3ikb h ILE 112 CO -0.02 0.33 0.20 -0.07 0.00 0.00 0.00 178.15 178.59 3ikb h LEU 113 N -0.44 0.19 -0.61 1.44 3.38 -0.42 -0.22 115.31 118.64 3ikb h LEU 113 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ikb h LEU 113 Cb 0.55 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3ikb h LEU 113 CO 0.01 0.13 0.00 0.47 0.09 0.00 0.00 178.44 179.14 3ikb n ASP 114 N -4.49 0.31 -1.09 -0.43 8.00 0.31 -1.02 116.55 118.13 3ikb n ASP 114 Ca 0.03 0.62 0.08 0.00 0.71 0.00 0.00 54.79 56.22 3ikb n ASP 114 Cb 0.20 -0.67 0.27 0.00 -0.02 0.00 0.00 41.12 40.90 3ikb n ASP 114 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3ikb n LEU 115 N -1.88 3.95 -3.64 0.64 4.77 -0.09 -4.70 117.00 116.03 3ikb n LEU 115 Ca 0.00 -2.47 -0.27 0.00 -0.03 0.00 0.00 56.01 53.24 3ikb n LEU 115 Cb 0.08 -0.46 -0.10 0.00 -2.33 0.00 0.00 43.42 40.60 3ikb n LEU 115 CO 0.09 0.75 -0.07 0.18 -1.33 0.00 0.00 177.39 177.00 3ikb n LEU 116 N 0.47 2.39 0.09 2.23 4.77 -0.19 -4.72 117.00 122.04 3ikb n LEU 116 Ca 0.20 -5.09 0.12 0.00 -0.03 0.00 0.00 56.01 51.21 3ikb n LEU 116 Cb 0.75 -0.41 0.45 0.00 -2.33 0.00 0.00 43.42 41.89 3ikb n LEU 116 CO 0.16 1.87 0.86 -0.81 -1.33 0.00 0.00 177.39 178.15 3ikb n PRO 117 N 1.79 0.17 -0.28 3.23 -0.04 -1.26 -3.28 135.00 135.33 3ikb n PRO 117 Ca 0.24 0.30 0.11 0.00 -0.04 0.00 0.00 63.50 64.11 3ikb n PRO 117 Cb 0.40 -1.77 0.28 0.00 -0.04 0.00 0.00 33.50 32.37 3ikb n PRO 117 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3ikb n ASP 118 N -2.08 3.49 -4.68 3.54 8.00 -1.26 -4.95 116.55 118.61 3ikb n ASP 118 Ca 0.04 -1.98 -0.42 0.00 0.71 0.00 0.00 54.79 53.13 3ikb n ASP 118 Cb 0.29 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 3ikb n ASP 118 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ikb s ILE 119 N -1.26 3.06 -0.03 0.53 -1.09 -1.17 -4.21 121.20 117.04 3ikb s ILE 119 Ca 0.43 0.42 0.13 0.00 -2.23 0.00 0.00 60.65 59.39 3ikb s ILE 119 Cb 0.23 -3.27 -0.19 0.00 -1.58 0.00 0.00 42.46 37.65 3ikb s ILE 119 CO 0.31 -0.01 0.25 0.00 -1.23 0.00 0.00 174.94 174.26 3ikb n GLN 120 N 6.08 0.62 -3.73 2.79 6.02 0.61 -5.01 117.38 124.77 3ikb n GLN 120 Ca 0.17 -0.10 -0.12 0.00 -0.01 0.00 0.00 57.00 56.94 3ikb n GLN 120 Cb 0.41 -1.30 -0.11 0.00 1.02 0.00 0.00 30.24 30.25 3ikb n GLN 120 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3ikb s LEU 121 N -4.02 0.36 -0.19 1.08 2.96 -1.12 -4.63 118.68 113.11 3ikb s LEU 121 Ca -0.05 0.73 -0.00 0.00 -0.22 0.00 0.00 54.13 54.59 3ikb s LEU 121 Cb 0.08 1.15 0.01 0.00 0.50 0.00 0.00 46.19 47.93 3ikb s LEU 121 CO 0.52 -0.15 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.36 3ikb s THR 122 N 0.82 2.45 -0.24 3.68 2.01 0.02 -1.23 115.64 123.15 3ikb s THR 122 Ca -0.05 -0.81 -0.17 0.00 0.31 0.00 0.00 61.69 60.97 3ikb s THR 122 Cb -0.06 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 3ikb s THR 122 CO -0.06 0.50 0.44 -0.63 -0.69 0.00 0.00 174.62 174.19 3ikb s ILE 123 N 1.34 5.14 -0.46 1.82 1.01 0.48 -1.13 121.20 129.40 3ikb s ILE 123 Ca 0.05 0.76 -0.10 0.00 0.00 0.00 0.00 60.65 61.36 3ikb s ILE 123 Cb -0.13 -3.77 0.11 0.00 0.01 0.00 0.00 42.46 38.68 3ikb s ILE 123 CO -0.10 0.16 0.33 -0.76 0.00 0.00 0.00 174.94 174.57 3ikb s LEU 124 N 1.88 5.58 -0.43 2.97 1.43 -0.13 -0.58 118.68 129.40 3ikb s LEU 124 Ca 0.19 -1.78 -0.15 0.00 -1.03 0.00 0.00 54.13 51.36 3ikb s LEU 124 Cb -0.15 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 44.08 3ikb s LEU 124 CO 0.09 -0.66 0.34 -0.63 0.23 0.00 0.00 176.35 175.72 3ikb s ILE 125 N 1.40 5.23 0.00 -0.59 1.01 0.27 -1.03 121.20 127.50 3ikb s ILE 125 Ca 0.05 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.97 3ikb s ILE 125 Cb -0.26 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.22 3ikb s ILE 125 CO 0.00 -0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.16 3ikb n GLY 126 N 5.17 0.21 0.11 6.18 0.00 -0.82 -4.43 105.19 111.60 3ikb n GLY 126 Ca -0.11 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 43.92 3ikb n GLY 126 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3ikb h ASN 127 N 0.00 0.24 -0.58 1.61 2.35 -1.93 -2.52 115.58 114.74 3ikb h ASN 127 Ca 0.00 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3ikb h ASN 127 Cb 0.00 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 3ikb h ASN 127 CO 0.00 0.23 0.36 1.88 -1.65 0.00 0.00 177.43 178.24 3ikb h TYR 128 N 0.22 0.76 -0.24 1.19 0.05 -1.95 -0.06 116.97 116.94 3ikb h TYR 128 Ca 0.07 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 3ikb h TYR 128 Cb 0.04 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.52 3ikb h TYR 128 CO -0.05 0.51 0.07 0.00 -1.05 0.00 0.00 178.16 177.65 3ikb h ALA 129 N 1.18 0.32 0.07 3.88 0.00 -1.77 -2.66 119.26 120.28 3ikb h ALA 129 Ca 0.21 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ikb h ALA 129 Cb -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ikb h ALA 129 CO -0.04 -0.04 -0.03 1.96 0.00 0.00 0.00 179.25 181.09 3ikb h GLN 130 N 0.22 -0.09 -0.59 0.00 4.20 -1.28 -1.74 115.11 115.83 3ikb h GLN 130 Ca 0.08 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.83 3ikb h GLN 130 Cb 0.25 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 3ikb h GLN 130 CO -0.00 0.13 0.39 0.87 -0.67 0.00 0.00 178.83 179.55 3ikb h LYS 131 N -0.30 0.64 0.28 1.46 6.56 -1.03 0.55 116.57 124.73 3ikb h LYS 131 Ca -0.01 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.53 3ikb h LYS 131 Cb 0.26 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 31.78 3ikb h LYS 131 CO 0.02 0.42 -0.13 -0.92 -2.06 0.00 0.00 179.45 176.78 3ikb h TYR 132 N 0.66 -0.34 0.00 -1.35 3.20 -1.46 -1.00 116.97 116.67 3ikb h TYR 132 Ca 0.24 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.02 3ikb h TYR 132 Cb 0.14 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3ikb h TYR 132 CO -0.00 -0.21 -0.40 1.88 -1.64 0.00 0.00 178.16 177.78 3ikb h TYR 133 N -0.97 0.00 -0.24 -3.82 -1.99 -1.27 -2.42 116.97 106.26 3ikb h TYR 133 Ca -0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.69 3ikb h TYR 133 Cb 0.28 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.01 3ikb h TYR 133 CO 0.01 0.40 0.00 1.28 -0.00 0.00 0.00 178.16 179.85 3ikb n LEU 134 N -3.60 2.24 -3.77 3.88 4.77 0.18 -4.98 117.00 115.71 3ikb n LEU 134 Ca -0.00 -0.95 -0.29 0.00 -0.03 0.00 0.00 56.01 54.74 3ikb n LEU 134 Cb 0.51 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.47 3ikb n LEU 134 CO 0.37 0.48 -0.12 1.41 -1.33 0.00 0.00 177.39 178.20 3ikb n HIS 135 N 0.70 -1.82 -4.47 -1.77 8.25 -0.91 -4.98 115.22 110.22 3ikb n HIS 135 Ca 0.17 0.58 -0.33 0.00 -0.26 0.00 0.00 57.72 57.88 3ikb n HIS 135 Cb 0.42 -3.63 -0.10 0.00 1.12 0.00 0.00 29.99 27.79 3ikb n HIS 135 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3ikb s GLN 136 N -6.17 2.74 0.80 -0.41 -0.21 -0.42 -5.04 119.66 110.94 3ikb s GLN 136 Ca 0.27 -0.59 -0.12 0.00 0.02 0.00 0.00 55.36 54.95 3ikb s GLN 136 Cb -0.10 -2.62 0.08 0.00 1.00 0.00 0.00 33.01 31.38 3ikb s GLN 136 CO 0.87 0.65 1.15 0.15 -2.12 0.00 0.00 175.29 175.98 3ikb s LYS 137 N -1.15 1.80 0.54 2.91 1.02 -1.26 -4.73 119.74 118.88 3ikb s LYS 137 Ca 0.15 1.53 0.35 0.00 0.02 0.00 0.00 55.97 58.02 3ikb s LYS 137 Cb -0.11 -1.82 1.55 0.00 -0.52 0.00 0.00 37.83 36.93 3ikb s LYS 137 CO 0.05 -2.04 2.03 0.66 -0.92 0.00 0.00 175.35 175.13 3ikb h SER 138 N -1.03 0.00 0.85 2.83 4.64 -1.99 -2.30 113.55 116.55 3ikb h SER 138 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3ikb h SER 138 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3ikb h SER 138 CO 0.47 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.89 3ikb n SER 139 N -2.98 0.00 -4.76 4.97 3.41 -1.26 -4.81 113.62 108.19 3ikb n SER 139 Ca -0.00 0.37 -0.41 0.00 -0.26 0.00 0.00 58.87 58.57 3ikb n SER 139 Cb 0.24 -0.45 -0.02 0.00 -0.26 0.00 0.00 64.21 63.71 3ikb n SER 139 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3ikb s VAL 140 N -2.91 2.83 -0.09 -3.33 1.01 -0.87 -4.97 120.40 112.08 3ikb s VAL 140 Ca 0.16 0.81 -0.22 0.00 0.00 0.00 0.00 61.98 62.73 3ikb s VAL 140 Cb 0.18 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 3ikb s VAL 140 CO 0.48 0.18 0.63 -0.54 0.00 0.00 0.00 175.10 175.85 3ikb s LYS 141 N -1.48 4.39 0.21 2.72 1.02 -1.26 -4.98 119.74 120.37 3ikb s LYS 141 Ca 0.50 0.73 -0.11 0.00 0.02 0.00 0.00 55.97 57.12 3ikb s LYS 141 Cb -0.39 -3.45 0.29 0.00 -0.52 0.00 0.00 37.83 33.76 3ikb s LYS 141 CO 0.50 0.07 1.68 1.25 -0.92 0.00 0.00 175.35 177.92 3ikb h LEU 142 N 6.87 -0.16 -0.79 3.17 5.85 -1.95 -2.05 115.31 126.25 3ikb h LEU 142 Ca -0.40 0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.39 3ikb h LEU 142 Cb 1.19 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.41 3ikb h LEU 142 CO 0.76 -0.06 0.16 0.74 -0.34 0.00 0.00 178.44 179.70 3ikb h THR 143 N 0.17 1.26 -0.76 1.05 2.02 -2.00 -1.55 112.91 113.10 3ikb h THR 143 Ca 0.31 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.55 3ikb h THR 143 Cb 0.49 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 3ikb h THR 143 CO -0.47 0.36 0.49 0.44 0.37 0.00 0.00 175.52 176.71 3ikb h ASP 144 N 1.02 0.89 -0.29 4.18 3.32 -1.85 -0.95 116.42 122.74 3ikb h ASP 144 Ca 0.21 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 3ikb h ASP 144 Cb 0.36 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3ikb h ASP 144 CO 0.00 0.66 0.07 0.74 -1.72 0.00 0.00 179.24 178.99 3ikb h THR 145 N 1.04 1.22 -0.38 0.35 2.02 -0.80 -2.44 112.91 113.92 3ikb h THR 145 Ca 0.28 -0.72 -0.15 0.00 0.77 0.00 0.00 66.41 66.59 3ikb h THR 145 Cb -0.09 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3ikb h THR 145 CO -0.06 0.24 -0.36 0.58 0.37 0.00 0.00 175.52 176.29 3ikb h VAL 146 N 0.30 1.28 -0.07 3.16 2.07 -1.19 -2.85 116.25 118.94 3ikb h VAL 146 Ca 0.09 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.05 3ikb h VAL 146 Cb 0.29 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 3ikb h VAL 146 CO 0.00 0.51 -0.07 0.00 0.02 0.00 0.00 177.57 178.03 3ikb h ALA 147 N 0.85 1.76 -1.12 1.67 0.00 -0.97 -2.10 119.26 119.36 3ikb h ALA 147 Ca 0.07 -0.11 -0.64 0.00 0.00 0.00 0.00 54.91 54.23 3ikb h ALA 147 Cb 0.94 -0.04 -0.36 0.00 0.00 0.00 0.00 17.79 18.32 3ikb h ALA 147 CO 0.09 0.18 -0.02 -2.39 0.00 0.00 0.00 179.25 177.12 3ikb n HIS 148 N -4.40 3.12 -0.08 0.00 1.44 -0.94 -4.83 115.22 109.53 3ikb n HIS 148 Ca -0.02 -2.69 0.24 0.00 -2.01 0.00 0.00 57.72 53.24 3ikb n HIS 148 Cb 0.18 -0.66 0.70 0.00 0.12 0.00 0.00 29.99 30.33 3ikb n HIS 148 CO 0.00 0.00 0.00 0.10 -2.81 0.00 0.00 176.34 173.63 3ikb h TYR 149 N 2.49 0.01 0.00 -1.40 -0.00 -1.15 -1.47 116.97 115.45 3ikb h TYR 149 Ca 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 59.16 3ikb h TYR 149 Cb 0.82 -0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.55 3ikb h TYR 149 CO 1.03 0.00 -0.06 0.87 -0.00 0.00 0.00 178.16 180.00 3ikb h LYS 150 N 0.01 0.00 -0.36 0.10 1.57 -1.88 -1.87 116.57 114.14 3ikb h LYS 150 Ca 0.33 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 59.21 3ikb h LYS 150 Cb 1.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 3ikb h LYS 150 CO -0.01 0.06 0.28 -0.22 -0.57 0.00 0.00 179.45 179.00 3ikb h LYS 151 N 0.00 0.00 -0.00 3.15 3.64 -1.64 -2.84 116.57 118.88 3ikb h LYS 151 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ikb h LYS 151 Cb 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3ikb h LYS 151 CO 0.01 0.00 -0.61 0.66 -2.27 0.00 0.00 179.45 177.24 3ikb n TYR 152 N -4.25 0.00 -2.09 1.91 4.01 -0.70 -4.94 117.16 111.09 3ikb n TYR 152 Ca 0.06 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.47 3ikb n TYR 152 Cb 0.46 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.50 3ikb n TYR 152 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ikb s LEU 153 N -2.52 3.52 0.22 7.72 1.43 -1.07 -1.57 118.68 126.41 3ikb s LEU 153 Ca 0.09 1.80 0.26 0.00 -1.03 0.00 0.00 54.13 55.24 3ikb s LEU 153 Cb 0.13 -4.53 0.83 0.00 0.03 0.00 0.00 46.19 42.64 3ikb s LEU 153 CO 0.57 -1.11 1.77 -0.81 0.23 0.00 0.00 176.35 177.00 3ikb n PRO 154 N -1.97 0.26 0.02 1.29 -0.04 -1.26 -4.85 135.00 128.44 3ikb n PRO 154 Ca 0.09 0.25 -0.10 0.00 -0.04 0.00 0.00 63.50 63.69 3ikb n PRO 154 Cb 0.53 -1.83 0.03 0.00 -0.04 0.00 0.00 33.50 32.20 3ikb n PRO 154 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3ikb h ASP 155 N 0.00 0.60 -4.28 3.54 3.32 -1.80 -3.43 116.42 114.38 3ikb h ASP 155 Ca 0.00 -0.35 -0.43 0.00 0.02 0.00 0.00 57.03 56.27 3ikb h ASP 155 Cb 0.70 -0.18 -0.26 0.00 0.22 0.00 0.00 39.33 39.81 3ikb h ASP 155 CO 0.00 1.08 -0.79 -0.31 -1.72 0.00 0.00 179.24 177.50 3ikb s TYR 156 N -3.85 1.12 -0.25 4.55 2.02 -0.61 -0.80 117.35 119.52 3ikb s TYR 156 Ca -0.07 -0.31 -0.01 0.00 -0.37 0.00 0.00 57.07 56.31 3ikb s TYR 156 Cb 0.11 -0.68 0.08 0.00 -0.40 0.00 0.00 41.96 41.07 3ikb s TYR 156 CO 0.85 0.01 0.04 0.12 -1.57 0.00 0.00 175.55 175.00 3ikb s PHE 157 N -0.69 1.68 0.16 2.71 5.99 -0.29 -3.21 117.98 124.34 3ikb s PHE 157 Ca 0.02 -1.46 -0.30 0.00 0.00 0.00 0.00 56.93 55.19 3ikb s PHE 157 Cb -0.07 -1.47 -0.07 0.00 0.00 0.00 0.00 43.02 41.41 3ikb s PHE 157 CO 0.01 -0.76 0.99 -1.25 -0.00 0.00 0.00 175.22 174.21 3ikb s PRO 158 N 1.63 4.71 0.16 10.12 0.04 -1.26 -0.96 135.00 149.44 3ikb s PRO 158 Ca 0.02 1.54 0.03 0.00 0.04 0.00 0.00 61.00 62.63 3ikb s PRO 158 Cb -0.18 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 30.99 3ikb s PRO 158 CO -0.14 0.25 -0.05 -0.51 0.04 0.00 0.00 177.00 176.58 3ikb s LEU 159 N -0.40 2.37 0.54 -3.56 1.43 -0.19 -4.75 118.68 114.11 3ikb s LEU 159 Ca 0.46 -1.09 -0.04 0.00 -1.03 0.00 0.00 54.13 52.43 3ikb s LEU 159 Cb -0.26 -0.23 -0.00 0.00 0.03 0.00 0.00 46.19 45.73 3ikb s LEU 159 CO 0.32 -0.44 0.83 0.68 0.23 0.00 0.00 176.35 177.97 3ikb s VAL 160 N -3.46 3.99 0.35 -1.59 -7.23 -1.26 -1.95 120.40 109.24 3ikb s VAL 160 Ca 0.20 -0.07 -0.28 0.00 -1.81 0.00 0.00 61.98 60.02 3ikb s VAL 160 Cb 0.04 -3.54 -0.10 0.00 0.56 0.00 0.00 36.38 33.34 3ikb s VAL 160 CO 0.02 -0.52 1.27 -1.00 -0.31 0.00 0.00 175.10 174.57 3ikb s HIS 161 N -2.85 3.06 0.00 2.82 0.09 -1.26 -4.74 115.29 112.41 3ikb s HIS 161 Ca 0.51 1.46 0.00 0.00 -0.00 0.00 0.00 55.06 57.03 3ikb s HIS 161 Cb -0.10 -3.61 0.00 0.00 -0.00 0.00 0.00 32.58 28.87 3ikb s HIS 161 CO 0.43 -1.71 1.67 -0.35 -0.00 0.00 0.00 174.74 174.79 3ikb n PRO 162 N 0.65 0.86 -2.56 8.40 -0.04 -1.26 -4.78 135.00 136.27 3ikb n PRO 162 Ca 0.01 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.15 3ikb n PRO 162 Cb 0.43 -1.07 -0.04 0.00 -0.04 0.00 0.00 33.50 32.78 3ikb n PRO 162 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3ikb s SER 163 N 1.94 6.66 0.34 3.54 1.04 -1.26 -4.54 113.70 121.42 3ikb s SER 163 Ca 0.00 1.51 0.03 0.00 0.48 0.00 0.00 55.95 57.97 3ikb s SER 163 Cb 0.00 -2.48 0.61 0.00 0.10 0.00 0.00 66.02 64.25 3ikb s SER 163 CO 0.00 -0.51 1.93 -0.65 0.98 0.00 0.00 173.24 174.99 3ikb h PRO 164 N 1.18 0.65 0.00 4.02 0.11 -1.99 -1.35 132.00 134.62 3ikb h PRO 164 Ca -0.47 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 65.53 3ikb h PRO 164 Cb 1.18 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3ikb h PRO 164 CO 0.62 0.56 -0.05 -0.09 -0.21 0.00 0.00 178.00 178.83 3ikb h ARG 165 N 0.65 0.00 -0.00 1.05 2.43 -1.96 -1.58 114.38 114.97 3ikb h ARG 165 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3ikb h ARG 165 Cb 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3ikb h ARG 165 CO -0.01 0.05 -0.00 0.09 -1.51 0.00 0.00 179.97 178.59 3ikb n ASN 166 N -3.55 0.37 -0.30 -3.80 3.02 -0.51 -3.98 115.26 106.51 3ikb n ASN 166 Ca -0.02 -1.11 -0.04 0.00 -0.03 0.00 0.00 54.58 53.38 3ikb n ASN 166 Cb 0.16 -0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.41 3ikb n ASN 166 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3ikb h GLN 167 N 0.58 1.05 -0.56 3.52 1.08 -1.33 -2.05 115.11 117.39 3ikb h GLN 167 Ca 0.00 -0.06 -0.11 0.00 -1.45 0.00 0.00 58.65 57.02 3ikb h GLN 167 Cb 0.13 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 3ikb h GLN 167 CO 0.00 0.69 -0.09 0.82 -0.95 0.00 0.00 178.83 179.30 3ikb h ILE 168 N 1.08 1.27 0.00 2.54 2.04 -1.79 -2.15 117.51 120.50 3ikb h ILE 168 Ca 0.30 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.90 3ikb h ILE 168 Cb -0.10 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3ikb h ILE 168 CO -0.08 0.45 0.00 1.87 0.00 0.00 0.00 178.15 180.39 3ikb n TRP 169 N -4.15 0.00 0.00 1.37 -0.00 -0.77 -1.63 117.44 112.27 3ikb n TRP 169 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.52 3ikb n TRP 169 Cb 0.40 -0.06 0.00 0.00 -0.00 0.00 0.00 31.31 31.65 3ikb n TRP 169 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 3ikb n SER 171 N 0.78 0.00 0.11 5.87 3.41 -0.81 -1.45 113.62 121.54 3ikb n SER 171 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 3ikb n SER 171 Cb 0.00 0.00 0.41 0.00 -0.26 0.00 0.00 64.21 64.36 3ikb n SER 171 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ikb n ARG 172 N 0.00 0.27 -3.18 4.33 5.12 -0.64 -4.28 116.66 118.27 3ikb n ARG 172 Ca 0.00 0.24 -0.22 0.00 -1.93 0.00 0.00 57.85 55.94 3ikb n ARG 172 Cb 0.00 -1.82 -0.05 0.00 -1.16 0.00 0.00 32.46 29.43 3ikb n ARG 172 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3ikb n HIS 173 N -2.29 0.85 0.29 -1.55 8.25 -0.53 -4.97 115.22 115.28 3ikb n HIS 173 Ca 0.05 -3.79 0.18 0.00 -0.26 0.00 0.00 57.72 53.91 3ikb n HIS 173 Cb 0.42 -0.42 0.93 0.00 1.12 0.00 0.00 29.99 32.04 3ikb n HIS 173 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3ikb h PRO 174 N 3.46 0.00 0.00 -0.41 0.13 -1.86 -1.32 132.00 131.99 3ikb h PRO 174 Ca 0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3ikb h PRO 174 Cb 0.85 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 3ikb h PRO 174 CO 0.56 0.00 -0.01 0.11 -0.23 0.00 0.00 178.00 178.43 3ikb h TRP 175 N 0.00 0.00 0.56 1.56 5.08 -1.96 -0.16 115.95 121.03 3ikb h TRP 175 Ca 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.94 3ikb h TRP 175 Cb 0.11 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.27 3ikb h TRP 175 CO 0.00 0.01 -0.27 0.35 -1.28 0.00 0.00 178.44 177.25 3ikb h PHE 176 N 0.00 -0.70 0.00 0.12 3.57 -1.65 -0.80 116.94 117.49 3ikb h PHE 176 Ca -0.00 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 3ikb h PHE 176 Cb 0.05 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 3ikb h PHE 176 CO 0.00 -0.37 -0.37 0.93 -2.23 0.00 0.00 178.31 176.27 3ikb h GLU 177 N -1.00 0.00 0.04 1.11 5.08 -1.69 -0.55 114.58 117.57 3ikb h GLU 177 Ca -0.08 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.03 3ikb h GLU 177 Cb 0.64 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 3ikb h GLU 177 CO 0.13 0.37 -1.27 0.00 -1.00 0.00 0.00 179.01 177.24 3ikb h ALA 178 N 1.63 0.37 0.00 3.43 0.00 -0.97 -3.40 119.26 120.32 3ikb h ALA 178 Ca -0.00 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.86 3ikb h ALA 178 Cb 0.79 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3ikb h ALA 178 CO 0.05 1.24 -0.53 0.94 0.00 0.00 0.00 179.25 180.95 3ikb n GLN 179 N -3.35 0.44 0.01 0.00 0.00 -0.34 -4.70 117.38 109.46 3ikb n GLN 179 Ca -0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 57.00 56.81 3ikb n GLN 179 Cb 0.99 -0.76 -0.09 0.00 0.00 0.00 0.00 30.24 30.38 3ikb n GLN 179 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 3ikb h VAL 180 N 0.00 1.12 -0.72 1.69 2.07 -1.01 -2.95 116.25 116.44 3ikb h VAL 180 Ca 0.00 -1.35 0.03 0.00 0.82 0.00 0.00 66.70 66.20 3ikb h VAL 180 Cb 0.53 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 32.16 3ikb h VAL 180 CO 0.00 0.30 0.45 0.58 0.02 0.00 0.00 177.57 178.92 3ikb h VAL 181 N -0.81 1.09 -0.67 2.57 2.07 -1.36 -1.13 116.25 118.02 3ikb h VAL 181 Ca -0.01 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.23 3ikb h VAL 181 Cb 0.59 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3ikb h VAL 181 CO 0.02 0.16 0.44 -0.65 0.02 0.00 0.00 177.57 177.56 3ikb h PRO 182 N 0.88 0.80 -0.39 1.57 0.11 -1.77 -1.43 132.00 131.77 3ikb h PRO 182 Ca 0.29 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.24 3ikb h PRO 182 Cb 0.03 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 3ikb h PRO 182 CO -0.11 0.53 -0.20 -0.44 -0.21 0.00 0.00 178.00 177.57 3ikb h ASP 183 N 0.82 0.85 -0.47 -2.05 3.32 -1.20 -2.39 116.42 115.31 3ikb h ASP 183 Ca 0.26 -0.41 0.09 0.00 0.02 0.00 0.00 57.03 56.99 3ikb h ASP 183 Cb 0.03 -0.24 -0.08 0.00 0.22 0.00 0.00 39.33 39.27 3ikb h ASP 183 CO -0.07 1.07 -0.00 0.25 -1.72 0.00 0.00 179.24 178.77 3ikb h LEU 184 N 0.63 -0.20 -0.55 1.55 5.85 -0.70 -1.17 115.31 120.73 3ikb h LEU 184 Ca 0.09 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.95 3ikb h LEU 184 Cb 0.75 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 3ikb h LEU 184 CO 0.06 -0.06 0.31 0.11 -0.34 0.00 0.00 178.44 178.52 3ikb h LYS 185 N 0.11 0.59 -0.25 1.25 1.57 -1.10 -1.03 116.57 117.72 3ikb h LYS 185 Ca 0.24 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.84 3ikb h LYS 185 Cb 0.35 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3ikb h LYS 185 CO -0.39 0.39 -0.41 0.87 -0.57 0.00 0.00 179.45 179.34 3ikb h LYS 186 N 0.61 0.59 -0.30 3.15 1.79 -0.91 -1.14 116.57 120.36 3ikb h LYS 186 Ca 0.23 -0.30 -0.06 0.00 -2.18 0.00 0.00 60.65 58.34 3ikb h LYS 186 Cb 0.07 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 3ikb h LYS 186 CO -0.12 0.89 -0.04 0.82 -1.08 0.00 0.00 179.45 179.91 3ikb h ILE 187 N 0.48 1.27 -0.68 1.86 2.04 -1.01 -2.42 117.51 119.05 3ikb h ILE 187 Ca 0.04 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 3ikb h ILE 187 Cb 0.91 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 3ikb h ILE 187 CO 0.08 0.33 0.35 0.40 0.00 0.00 0.00 178.15 179.32 3ikb h ILE 188 N 0.32 1.22 -0.89 -0.67 2.04 -1.04 -1.97 117.51 116.53 3ikb h ILE 188 Ca 0.08 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 3ikb h ILE 188 Cb 0.51 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 3ikb h ILE 188 CO 0.02 0.25 0.52 -0.61 0.00 0.00 0.00 178.15 178.33 3ikb h GLN 189 N 0.94 1.22 -0.20 2.37 4.15 -1.10 0.08 115.11 122.56 3ikb h GLN 189 Ca 0.24 -0.12 0.02 0.00 0.77 0.00 0.00 58.65 59.55 3ikb h GLN 189 Cb 0.07 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.49 3ikb h GLN 189 CO -0.03 0.87 0.08 0.37 -1.93 0.00 0.00 178.83 178.18 3ikb h GLN 190 N 1.24 0.17 -0.16 1.69 -0.00 -1.04 -1.53 115.11 115.48 3ikb h GLN 190 Ca 0.32 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.94 3ikb h GLN 190 Cb -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.42 3ikb h GLN 190 CO -0.06 0.11 0.04 0.82 0.00 0.00 0.00 178.83 179.75 3ikb h ILE 191 N 0.18 1.20 0.00 2.39 2.04 -0.89 -0.81 117.51 121.61 3ikb h ILE 191 Ca 0.09 -0.63 -0.06 0.00 1.00 0.00 0.00 64.86 65.26 3ikb h ILE 191 Cb 0.05 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 3ikb h ILE 191 CO -0.08 0.19 -0.30 0.40 0.00 0.00 0.00 178.15 178.36 3ikb h ILE 192 N 0.06 1.20 -0.01 -0.67 1.08 -0.97 -2.27 117.51 115.93 3ikb h ILE 192 Ca 0.05 -1.02 0.00 0.00 -0.39 0.00 0.00 64.86 63.50 3ikb h ILE 192 Cb 0.26 1.55 0.00 0.00 -3.07 0.00 0.00 36.82 35.56 3ikb h ILE 192 CO 0.00 0.29 -0.14 0.00 -0.69 0.00 0.00 178.15 177.61 3ikb n GLN 193 N -4.16 1.32 -1.20 2.37 10.64 -0.58 -4.97 117.38 120.79 3ikb n GLN 193 Ca -0.02 -0.81 -0.31 0.00 -1.83 0.00 0.00 57.00 54.03 3ikb n GLN 193 Cb 0.34 -1.48 0.10 0.00 -0.86 0.00 0.00 30.24 28.35 3ikb n GLN 193 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 3ikb s SER 194 N -2.24 4.21 0.00 2.61 1.04 -0.32 -5.07 113.70 113.93 3ikb s SER 194 Ca 0.30 1.80 0.00 0.00 0.48 0.00 0.00 55.95 58.53 3ikb s SER 194 Cb 0.20 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.85 3ikb s SER 194 CO 0.43 -2.22 0.00 -0.24 0.98 0.00 0.00 173.24 172.19