#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ib1 h LYS 3 N 0.00 0.45 0.30 -0.67 3.64 -1.99 -2.38 116.57 115.92 1ib1 h LYS 3 Ca 0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1ib1 h LYS 3 Cb 0.00 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1ib1 h LYS 3 CO 0.00 0.30 -0.15 -0.91 -2.27 0.00 0.00 179.45 176.42 1ib1 h ASN 4 N 0.46 -0.35 -0.82 4.20 -0.26 -2.03 -2.36 115.58 114.42 1ib1 h ASN 4 Ca 0.25 -0.02 0.17 0.00 -0.56 0.00 0.00 56.30 56.14 1ib1 h ASN 4 Cb 0.21 0.09 -0.11 0.00 -1.06 0.00 0.00 38.32 37.45 1ib1 h ASN 4 CO -0.20 -0.21 0.35 -0.33 -1.06 0.00 0.00 177.43 175.97 1ib1 h GLU 5 N -0.45 0.44 -0.78 0.81 5.08 -1.94 0.29 114.58 118.02 1ib1 h GLU 5 Ca -0.04 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1ib1 h GLU 5 Cb 0.34 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1ib1 h GLU 5 CO 0.07 0.29 0.41 -0.07 -1.00 0.00 0.00 179.01 178.70 1ib1 h LEU 6 N 0.45 1.00 -0.31 1.33 4.07 -1.25 0.20 115.31 120.80 1ib1 h LEU 6 Ca 0.48 -0.11 -0.18 0.00 0.08 0.00 0.00 57.88 58.14 1ib1 h LEU 6 Cb 0.79 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 42.28 1ib1 h LEU 6 CO -0.45 0.83 -0.50 0.58 -1.08 0.00 0.00 178.44 177.82 1ib1 h VAL 7 N 1.09 1.27 -0.55 1.22 2.07 -0.24 0.59 116.25 121.71 1ib1 h VAL 7 Ca 0.27 -1.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.08 1ib1 h VAL 7 Cb 0.07 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1ib1 h VAL 7 CO -0.04 0.55 0.22 1.56 0.02 0.00 0.00 177.57 179.88 1ib1 h GLN 8 N 0.67 0.83 -0.05 1.57 4.20 -0.26 0.45 115.11 122.53 1ib1 h GLN 8 Ca 0.03 -0.15 -0.12 0.00 0.06 0.00 0.00 58.65 58.46 1ib1 h GLN 8 Cb 1.10 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 1ib1 h GLN 8 CO 0.11 0.72 -0.52 -0.22 -0.67 0.00 0.00 178.83 178.25 1ib1 h LYS 9 N 0.76 0.13 -0.43 1.46 3.64 -0.50 -2.16 116.57 119.47 1ib1 h LYS 9 Ca 0.18 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.36 1ib1 h LYS 9 Cb 0.21 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1ib1 h LYS 9 CO -0.01 0.63 -0.23 0.00 -2.27 0.00 0.00 179.45 177.56 1ib1 h ALA 10 N 1.36 0.60 0.00 5.00 0.00 -0.20 0.16 119.26 126.18 1ib1 h ALA 10 Ca 0.00 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1ib1 h ALA 10 Cb 0.96 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1ib1 h ALA 10 CO 0.08 0.60 -0.33 0.87 0.00 0.00 0.00 179.25 180.46 1ib1 h LYS 11 N 0.74 0.00 -0.03 0.00 1.57 -0.82 -2.22 116.57 115.81 1ib1 h LYS 11 Ca 0.09 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1ib1 h LYS 11 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1ib1 h LYS 11 CO 0.07 0.33 -0.20 1.25 -0.57 0.00 0.00 179.45 180.33 1ib1 h LEU 12 N 0.00 0.23 -1.66 2.94 5.85 -0.90 -3.07 115.31 118.70 1ib1 h LEU 12 Ca -0.00 -0.67 -0.04 0.00 0.84 0.00 0.00 57.88 58.00 1ib1 h LEU 12 Cb 0.77 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1ib1 h LEU 12 CO 0.04 0.87 -0.19 0.00 -0.34 0.00 0.00 178.44 178.82 1ib1 h ALA 13 N 0.37 1.56 -0.55 1.25 0.00 -0.55 -0.36 119.26 120.98 1ib1 h ALA 13 Ca -0.01 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1ib1 h ALA 13 Cb 0.87 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1ib1 h ALA 13 CO 0.04 0.24 -0.05 1.49 0.00 0.00 0.00 179.25 180.97 1ib1 h GLU 14 N 0.00 1.01 -0.03 0.00 4.81 -1.41 0.17 114.58 119.13 1ib1 h GLU 14 Ca -0.00 -0.34 -0.21 0.00 -0.13 0.00 0.00 59.36 58.67 1ib1 h GLU 14 Cb 0.36 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1ib1 h GLU 14 CO 0.02 1.03 -0.87 1.96 -0.73 0.00 0.00 179.01 180.42 1ib1 h GLN 15 N 0.89 0.41 0.00 1.92 4.20 -1.31 -2.63 115.11 118.58 1ib1 h GLN 15 Ca 0.15 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.46 1ib1 h GLN 15 Cb 0.60 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1ib1 h GLN 15 CO 0.04 1.06 0.00 0.00 -0.67 0.00 0.00 178.83 179.26 1ib1 n ALA 16 N -2.53 2.20 -2.07 3.87 0.00 -0.20 -4.87 120.51 116.91 1ib1 n ALA 16 Ca -0.06 -0.11 -0.16 0.00 0.00 0.00 0.00 53.44 53.11 1ib1 n ALA 16 Cb 0.79 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 1ib1 n ALA 16 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ib1 n GLU 17 N -1.23 -1.24 -3.23 0.00 1.02 -0.35 -4.94 120.64 110.68 1ib1 n GLU 17 Ca 0.12 0.86 -0.38 0.00 -0.02 0.00 0.00 57.16 57.74 1ib1 n GLU 17 Cb 0.16 -5.19 -0.02 0.00 -0.02 0.00 0.00 31.44 26.36 1ib1 n GLU 17 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ib1 n ARG 18 N -2.54 3.65 0.31 3.49 1.74 0.46 -4.89 116.66 118.89 1ib1 n ARG 18 Ca -0.18 -4.57 0.18 0.00 -0.77 0.00 0.00 57.85 52.50 1ib1 n ARG 18 Cb 0.61 -2.43 1.02 0.00 -1.02 0.00 0.00 32.46 30.64 1ib1 n ARG 18 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1ib1 h TYR 19 N 5.26 0.00 -0.02 -1.55 0.05 -1.92 -1.46 116.97 117.33 1ib1 h TYR 19 Ca 0.19 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.85 1ib1 h TYR 19 Cb 0.67 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.39 1ib1 h TYR 19 CO 0.88 0.00 -0.59 -0.44 -1.05 0.00 0.00 178.16 176.96 1ib1 h ASP 20 N 0.00 0.06 -0.03 3.88 3.32 -1.90 -0.96 116.42 120.80 1ib1 h ASP 20 Ca -0.00 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 1ib1 h ASP 20 Cb 0.00 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.54 1ib1 h ASP 20 CO 0.00 0.64 -0.33 0.44 -1.72 0.00 0.00 179.24 178.27 1ib1 h ASP 21 N 0.04 0.34 -0.89 6.45 3.32 -1.67 -2.50 116.42 121.50 1ib1 h ASP 21 Ca -0.01 -0.71 0.11 0.00 0.02 0.00 0.00 57.03 56.44 1ib1 h ASP 21 Cb 1.05 -0.10 -0.08 0.00 0.22 0.00 0.00 39.33 40.42 1ib1 h ASP 21 CO 0.08 1.00 0.53 -0.03 -1.72 0.00 0.00 179.24 179.10 1ib1 h MET 22 N -0.30 0.84 -0.27 3.56 4.05 -1.31 -1.10 114.93 120.40 1ib1 h MET 22 Ca -0.03 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.30 1ib1 h MET 22 Cb 1.03 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.63 1ib1 h MET 22 CO 0.07 0.55 0.02 0.00 0.23 0.00 0.00 176.91 177.78 1ib1 h ALA 23 N 1.49 0.36 -0.81 0.39 0.00 -1.19 -2.07 119.26 117.43 1ib1 h ALA 23 Ca 0.44 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.21 1ib1 h ALA 23 Cb 0.42 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1ib1 h ALA 23 CO -0.26 0.07 0.49 0.00 0.00 0.00 0.00 179.25 179.55 1ib1 h ALA 24 N 0.84 1.12 -0.03 0.00 0.00 -0.89 0.21 119.26 120.51 1ib1 h ALA 24 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ib1 h ALA 24 Cb 0.38 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ib1 h ALA 24 CO 0.01 0.21 0.02 0.00 0.00 0.00 0.00 179.25 179.48 1ib1 h MET 26 N -0.07 0.00 -0.13 0.00 2.86 -0.85 -1.78 114.93 114.97 1ib1 h MET 26 Ca 0.01 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.47 1ib1 h MET 26 Cb 0.12 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 1ib1 h MET 26 CO -0.00 0.21 -0.66 -0.22 1.06 0.00 0.00 176.91 177.30 1ib1 h LYS 27 N 0.00 0.49 -0.22 1.72 3.64 -0.38 -2.03 116.57 119.79 1ib1 h LYS 27 Ca -0.00 -0.36 -0.09 0.00 -1.27 0.00 0.00 60.65 58.92 1ib1 h LYS 27 Cb 0.59 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1ib1 h LYS 27 CO 0.03 0.99 -0.22 0.77 -2.27 0.00 0.00 179.45 178.74 1ib1 h SER 28 N 0.36 0.58 -0.66 4.20 0.02 -0.87 -1.87 113.55 115.30 1ib1 h SER 28 Ca -0.02 -0.48 0.03 0.00 -0.84 0.00 0.00 61.79 60.49 1ib1 h SER 28 Cb 1.23 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.56 1ib1 h SER 28 CO 0.12 0.93 0.40 0.58 -1.14 0.00 0.00 176.83 177.73 1ib1 h VAL 29 N 0.23 1.08 -0.18 2.27 2.07 -1.31 -1.12 116.25 119.29 1ib1 h VAL 29 Ca 0.04 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 1ib1 h VAL 29 Cb 0.77 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1ib1 h VAL 29 CO 0.05 0.14 -0.12 0.74 0.02 0.00 0.00 177.57 178.41 1ib1 h THR 30 N 0.79 1.19 0.00 2.57 2.02 -1.30 -2.50 112.91 115.68 1ib1 h THR 30 Ca 0.27 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.63 1ib1 h THR 30 Cb 0.03 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1ib1 h THR 30 CO -0.11 0.26 0.00 -0.62 0.37 0.00 0.00 175.52 175.42 1ib1 n GLU 31 N -4.26 0.65 -0.22 6.66 1.02 -0.43 -2.35 120.64 121.70 1ib1 n GLU 31 Ca -0.00 0.02 0.06 0.00 -0.02 0.00 0.00 57.16 57.21 1ib1 n GLU 31 Cb 0.27 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.36 1ib1 n GLU 31 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1ib1 n GLN 32 N -1.06 1.99 -0.70 3.49 6.02 -0.94 -4.92 117.38 121.25 1ib1 n GLN 32 Ca 0.16 -1.36 0.00 0.00 -0.01 0.00 0.00 57.00 55.79 1ib1 n GLN 32 Cb 0.10 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 30.00 1ib1 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ib1 n GLY 33 N 1.00 0.05 3.85 1.08 0.00 -0.99 -4.96 105.19 105.21 1ib1 n GLY 33 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1ib1 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ib1 s ALA 34 N -1.13 3.63 0.26 4.61 0.00 -1.26 -5.02 121.76 122.85 1ib1 s ALA 34 Ca 0.00 -0.19 -0.31 0.00 0.00 0.00 0.00 51.96 51.46 1ib1 s ALA 34 Cb 0.00 -2.45 -0.11 0.00 0.00 0.00 0.00 23.12 20.56 1ib1 s ALA 34 CO 0.00 0.48 1.60 -2.00 0.00 0.00 0.00 175.76 175.84 1ib1 s GLU 35 N -1.83 4.15 0.34 0.00 2.12 -1.26 -4.87 118.70 117.35 1ib1 s GLU 35 Ca 0.35 2.53 -0.26 0.00 0.36 0.00 0.00 54.97 57.94 1ib1 s GLU 35 Cb -0.15 -3.06 -0.09 0.00 0.26 0.00 0.00 34.13 31.09 1ib1 s GLU 35 CO 0.18 -0.63 1.05 -0.51 -0.54 0.00 0.00 175.26 174.82 1ib1 s LEU 36 N -0.00 4.32 0.83 2.70 1.02 -1.26 -5.05 118.68 121.23 1ib1 s LEU 36 Ca 0.66 2.10 -0.12 0.00 0.02 0.00 0.00 54.13 56.78 1ib1 s LEU 36 Cb -0.47 -3.95 0.09 0.00 0.02 0.00 0.00 46.19 41.88 1ib1 s LEU 36 CO 0.43 -0.30 1.11 -0.94 0.02 0.00 0.00 176.35 176.66 1ib1 s SER 37 N -1.31 4.23 0.33 2.29 1.04 -1.26 -4.75 113.70 114.26 1ib1 s SER 37 Ca 0.52 1.22 0.04 0.00 0.48 0.00 0.00 55.95 58.20 1ib1 s SER 37 Cb -0.25 -1.91 0.65 0.00 0.10 0.00 0.00 66.02 64.61 1ib1 s SER 37 CO 0.32 -2.13 1.90 0.78 0.98 0.00 0.00 173.24 175.10 1ib1 h ASN 38 N -1.20 0.79 0.20 7.02 2.35 -1.98 0.73 115.58 123.50 1ib1 h ASN 38 Ca -0.48 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.28 1ib1 h ASN 38 Cb 1.29 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.51 1ib1 h ASN 38 CO 0.60 0.48 -0.10 -0.08 -1.65 0.00 0.00 177.43 176.68 1ib1 h GLU 39 N 0.88 -0.26 -0.42 0.81 4.81 -2.00 -0.32 114.58 118.08 1ib1 h GLU 39 Ca 0.40 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.67 1ib1 h GLU 39 Cb 0.37 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1ib1 h GLU 39 CO -0.16 -0.06 0.28 0.93 -0.73 0.00 0.00 179.01 179.27 1ib1 h GLU 40 N -0.42 0.48 -0.21 1.92 5.08 -1.76 -0.42 114.58 119.24 1ib1 h GLU 40 Ca -0.03 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1ib1 h GLU 40 Cb 0.32 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1ib1 h GLU 40 CO 0.05 0.32 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.26 1ib1 h ARG 41 N 0.49 0.39 -0.50 2.33 2.43 -0.47 -1.19 114.38 117.86 1ib1 h ARG 41 Ca 0.17 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1ib1 h ARG 41 Cb 0.06 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1ib1 h ARG 41 CO -0.04 0.61 0.25 -0.97 -1.51 0.00 0.00 179.97 178.31 1ib1 h ASN 42 N 0.14 0.65 -0.73 -3.80 -0.73 -0.47 -1.47 115.58 109.18 1ib1 h ASN 42 Ca 0.06 -0.12 0.05 0.00 1.87 0.00 0.00 56.30 58.16 1ib1 h ASN 42 Cb 0.45 -0.17 -0.05 0.00 0.27 0.00 0.00 38.32 38.82 1ib1 h ASN 42 CO 0.02 0.59 0.43 -0.07 -0.37 0.00 0.00 177.43 178.03 1ib1 h LEU 43 N 0.67 0.67 -0.33 0.34 4.07 -0.96 0.14 115.31 119.91 1ib1 h LEU 43 Ca 0.17 0.02 -0.07 0.00 0.08 0.00 0.00 57.88 58.09 1ib1 h LEU 43 Cb 0.10 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 1ib1 h LEU 43 CO -0.02 0.44 -0.05 0.25 -1.08 0.00 0.00 178.44 177.97 1ib1 h LEU 44 N 0.81 0.63 -0.34 1.67 5.85 -0.93 -0.67 115.31 122.32 1ib1 h LEU 44 Ca 0.32 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1ib1 h LEU 44 Cb 0.14 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1ib1 h LEU 44 CO -0.16 0.83 0.15 -1.28 -0.34 0.00 0.00 178.44 177.63 1ib1 h SER 45 N 0.41 0.46 -0.43 1.25 0.87 -0.79 -2.29 113.55 113.04 1ib1 h SER 45 Ca 0.09 -0.15 -0.11 0.00 -1.23 0.00 0.00 61.79 60.39 1ib1 h SER 45 Cb 0.54 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 1ib1 h SER 45 CO 0.03 0.48 -0.16 0.58 -0.53 0.00 0.00 176.83 177.23 1ib1 h VAL 46 N 0.41 1.27 0.53 2.23 2.07 -0.72 0.11 116.25 122.15 1ib1 h VAL 46 Ca 0.11 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 1ib1 h VAL 46 Cb 0.16 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1ib1 h VAL 46 CO -0.01 0.44 -0.34 0.00 0.02 0.00 0.00 177.57 177.67 1ib1 h ALA 47 N 0.85 -0.85 -0.62 1.67 0.00 -1.03 -2.18 119.26 117.10 1ib1 h ALA 47 Ca 0.10 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1ib1 h ALA 47 Cb 0.71 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1ib1 h ALA 47 CO 0.05 -0.99 0.05 1.88 0.00 0.00 0.00 179.25 180.24 1ib1 h TYR 48 N -0.83 1.12 -0.43 0.00 0.05 -1.40 -0.46 116.97 115.01 1ib1 h TYR 48 Ca -0.06 -0.17 0.01 0.00 0.05 0.00 0.00 58.73 58.56 1ib1 h TYR 48 Cb 0.69 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 38.10 1ib1 h TYR 48 CO -0.11 0.97 0.29 -0.22 -1.05 0.00 0.00 178.16 178.03 1ib1 h LYS 49 N 0.97 0.55 0.03 4.88 1.63 -0.71 0.20 116.57 124.11 1ib1 h LYS 49 Ca 0.18 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.85 1ib1 h LYS 49 Cb 0.49 -0.12 0.01 0.00 -0.60 0.00 0.00 32.23 32.01 1ib1 h LYS 49 CO 0.02 0.36 -0.39 -0.91 -3.45 0.00 0.00 179.45 175.08 1ib1 h ASN 50 N 0.56 0.29 -0.58 4.20 2.35 -0.94 -1.60 115.58 119.86 1ib1 h ASN 50 Ca 0.16 -0.85 0.03 0.00 -0.55 0.00 0.00 56.30 55.09 1ib1 h ASN 50 Cb -0.03 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 1ib1 h ASN 50 CO -0.04 1.11 0.35 0.58 -1.65 0.00 0.00 177.43 177.78 1ib1 h VAL 51 N -0.48 1.07 0.09 2.81 2.07 -0.61 -2.34 116.25 118.85 1ib1 h VAL 51 Ca -0.06 -0.24 -0.27 0.00 0.82 0.00 0.00 66.70 66.95 1ib1 h VAL 51 Cb 1.20 0.31 0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1ib1 h VAL 51 CO 0.08 0.13 -1.16 1.62 0.02 0.00 0.00 177.57 178.25 1ib1 h VAL 52 N 0.69 1.36 -0.97 2.57 3.04 -1.08 -3.27 116.25 118.59 1ib1 h VAL 52 Ca 0.23 -2.57 0.09 0.00 -1.01 0.00 0.00 66.70 63.44 1ib1 h VAL 52 Cb 0.02 2.66 -0.07 0.00 -2.01 0.00 0.00 31.29 31.89 1ib1 h VAL 52 CO -0.10 0.77 0.62 1.23 -1.01 0.00 0.00 177.57 179.09 1ib1 h GLY 53 N 0.81 1.50 0.63 3.17 0.00 -1.09 -0.30 103.07 107.79 1ib1 h GLY 53 Ca -0.15 -0.43 0.02 0.00 0.00 0.00 0.00 47.33 46.78 1ib1 h GLY 53 CO 0.21 0.24 -0.14 0.00 0.00 0.00 0.00 176.54 176.85 1ib1 h ALA 54 N 1.51 -0.16 -0.63 3.60 0.00 -1.47 -0.33 119.26 121.79 1ib1 h ALA 54 Ca 0.45 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.30 1ib1 h ALA 54 Cb 0.34 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1ib1 h ALA 54 CO -0.20 -0.63 0.11 0.00 0.00 0.00 0.00 179.25 178.53 1ib1 h ARG 55 N -0.23 1.02 -0.74 0.00 -0.00 -1.45 -2.15 114.38 110.83 1ib1 h ARG 55 Ca 0.05 -0.25 0.01 0.00 -0.50 0.00 0.00 59.98 59.29 1ib1 h ARG 55 Cb 0.30 -0.13 -0.04 0.00 0.00 0.00 0.00 29.97 30.10 1ib1 h ARG 55 CO -0.15 0.93 0.48 0.00 0.00 0.00 0.00 179.97 181.23 1ib1 h ARG 56 N 0.96 0.98 -0.11 0.04 3.08 -0.61 0.52 114.38 119.24 1ib1 h ARG 56 Ca 0.20 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1ib1 h ARG 56 Cb 0.40 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1ib1 h ARG 56 CO 0.01 0.66 0.05 1.03 -1.07 0.00 0.00 179.97 180.64 1ib1 h SER 57 N 1.01 0.14 -0.44 7.04 0.87 -0.75 -0.77 113.55 120.64 1ib1 h SER 57 Ca 0.27 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1ib1 h SER 57 Cb -0.10 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 1ib1 h SER 57 CO -0.06 0.25 0.29 0.28 -0.53 0.00 0.00 176.83 177.06 1ib1 h SER 58 N 0.03 0.51 0.24 6.23 0.02 -1.11 -2.39 113.55 117.07 1ib1 h SER 58 Ca 0.04 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1ib1 h SER 58 Cb 0.15 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1ib1 h SER 58 CO -0.00 0.37 -0.12 -0.25 -1.14 0.00 0.00 176.83 175.69 1ib1 h TRP 59 N 0.60 -0.30 -0.76 3.45 7.01 -0.09 -1.61 115.95 124.25 1ib1 h TRP 59 Ca 0.16 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.26 1ib1 h TRP 59 Cb -0.06 0.10 -0.08 0.00 -2.10 0.00 0.00 29.16 27.02 1ib1 h TRP 59 CO 0.00 -0.02 0.38 0.00 -2.79 0.00 0.00 178.44 176.01 1ib1 h ARG 60 N -0.58 0.60 -0.12 2.65 3.08 -0.90 -0.41 114.38 118.69 1ib1 h ARG 60 Ca -0.03 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1ib1 h ARG 60 Cb 0.42 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1ib1 h ARG 60 CO 0.05 0.40 -0.06 -0.24 -1.07 0.00 0.00 179.97 179.06 1ib1 h VAL 61 N 0.62 1.31 0.00 2.04 3.04 -1.38 -1.66 116.25 120.22 1ib1 h VAL 61 Ca 0.38 -1.08 -0.04 0.00 -1.01 0.00 0.00 66.70 64.96 1ib1 h VAL 61 Cb 0.44 1.77 -0.01 0.00 -2.01 0.00 0.00 31.29 31.49 1ib1 h VAL 61 CO -0.30 0.31 -0.18 1.62 -1.01 0.00 0.00 177.57 178.01 1ib1 h VAL 62 N -0.09 0.74 -0.06 1.51 3.04 -0.94 -1.01 116.25 119.45 1ib1 h VAL 62 Ca 0.03 -0.75 -0.12 0.00 -1.01 0.00 0.00 66.70 64.85 1ib1 h VAL 62 Cb 0.51 1.46 0.01 0.00 -2.01 0.00 0.00 31.29 31.26 1ib1 h VAL 62 CO 0.02 0.18 -0.43 0.28 -1.01 0.00 0.00 177.57 176.61 1ib1 h SER 63 N 0.00 0.47 -0.01 3.17 0.02 -1.00 -1.47 113.55 114.72 1ib1 h SER 63 Ca -0.00 -0.68 0.01 0.00 -0.84 0.00 0.00 61.79 60.27 1ib1 h SER 63 Cb 0.44 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1ib1 h SER 63 CO 0.02 1.08 -0.03 -1.28 -1.14 0.00 0.00 176.83 175.49 1ib1 h SER 64 N -0.10 -0.09 -0.68 3.07 0.87 -0.82 -1.47 113.55 114.32 1ib1 h SER 64 Ca -0.04 0.02 0.08 0.00 -1.23 0.00 0.00 61.79 60.62 1ib1 h SER 64 Cb 1.10 0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 63.04 1ib1 h SER 64 CO 0.09 -0.05 0.35 0.40 -0.53 0.00 0.00 176.83 177.09 1ib1 h ILE 65 N -0.05 0.90 0.20 2.23 2.04 -1.25 -1.51 117.51 120.07 1ib1 h ILE 65 Ca 0.02 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1ib1 h ILE 65 Cb 0.08 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1ib1 h ILE 65 CO -0.04 0.11 -0.17 -0.08 0.00 0.00 0.00 178.15 177.97 1ib1 h GLU 66 N 0.63 -0.37 -0.34 2.37 4.81 -0.43 -0.10 114.58 121.14 1ib1 h GLU 66 Ca 0.32 0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.47 1ib1 h GLU 66 Cb 0.29 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1ib1 h GLU 66 CO -0.23 -0.25 -0.23 -0.56 -0.73 0.00 0.00 179.01 177.02 1ib1 h GLN 67 N -0.38 0.66 -0.24 1.92 -0.00 -1.07 -3.00 115.11 112.99 1ib1 h GLN 67 Ca -0.01 -0.26 0.02 0.00 -0.00 0.00 0.00 58.65 58.41 1ib1 h GLN 67 Cb 0.35 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.48 27.77 1ib1 h GLN 67 CO -0.02 0.84 0.09 0.87 -0.00 0.00 0.00 178.83 180.61 1ib1 h LYS 68 N 0.58 0.20 -3.38 0.06 1.79 -1.05 -3.44 116.57 111.33 1ib1 h LYS 68 Ca 0.08 -0.01 -0.49 0.00 -2.18 0.00 0.00 60.65 58.06 1ib1 h LYS 68 Cb 0.70 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 1ib1 h LYS 68 CO 0.05 0.13 0.45 2.41 -1.08 0.00 0.00 179.45 181.41 1ib1 n THR 69 N -5.03 0.00 -3.58 -0.16 -1.04 -0.07 -4.90 114.28 99.50 1ib1 n THR 69 Ca -0.02 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.72 1ib1 n THR 69 Cb 0.08 -0.28 -0.03 0.00 -1.82 0.00 0.00 70.33 68.28 1ib1 n THR 69 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1ib1 s GLU 70 N 1.97 3.54 0.00 -2.82 2.02 -1.26 -4.95 118.70 117.20 1ib1 s GLU 70 Ca 0.61 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.32 1ib1 s GLU 70 Cb -0.84 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 30.61 1ib1 s GLU 70 CO 0.45 0.32 0.00 0.41 0.02 0.00 0.00 175.26 176.46 1ib1 n GLY 71 N -0.92 0.36 0.00 -1.39 0.00 -1.26 -4.91 105.19 97.07 1ib1 n GLY 71 Ca -0.04 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1ib1 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ib1 n ALA 72 N 0.01 0.00 -0.09 4.61 0.00 -1.26 -4.90 120.51 118.88 1ib1 n ALA 72 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1ib1 n ALA 72 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 1ib1 n ALA 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ib1 n GLU 73 N 0.00 2.58 -2.42 0.00 -0.58 -1.26 -4.63 120.64 114.33 1ib1 n GLU 73 Ca 0.00 -1.67 -0.43 0.00 -0.42 0.00 0.00 57.16 54.64 1ib1 n GLU 73 Cb 0.00 -1.81 -0.02 0.00 -0.57 0.00 0.00 31.44 29.04 1ib1 n GLU 73 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1ib1 s LYS 74 N -1.89 4.09 0.00 3.49 -2.85 -1.26 -3.39 119.74 117.94 1ib1 s LYS 74 Ca 0.30 1.49 0.00 0.00 -1.00 0.00 0.00 55.97 56.76 1ib1 s LYS 74 Cb 0.24 -3.82 0.00 0.00 -2.06 0.00 0.00 37.83 32.19 1ib1 s LYS 74 CO 0.08 -0.89 0.00 1.63 0.10 0.00 0.00 175.35 176.26 1ib1 n LYS 75 N 6.92 -0.35 0.07 1.78 4.76 -1.26 -4.48 118.16 125.60 1ib1 n LYS 75 Ca 0.14 0.05 -0.06 0.00 -2.87 0.00 0.00 58.31 55.57 1ib1 n LYS 75 Cb 0.46 -3.15 -0.08 0.00 -1.84 0.00 0.00 35.03 30.42 1ib1 n LYS 75 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1ib1 h GLN 76 N 0.00 0.00 0.00 1.97 5.75 -1.82 -3.04 115.11 117.97 1ib1 h GLN 76 Ca 0.00 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1ib1 h GLN 76 Cb 0.10 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 1ib1 h GLN 76 CO 0.00 0.94 -0.29 0.37 -2.65 0.00 0.00 178.83 177.20 1ib1 h GLN 77 N 0.00 0.00 0.02 1.69 4.15 -1.78 -2.69 115.11 116.50 1ib1 h GLN 77 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 1ib1 h GLN 77 Cb 1.68 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.37 1ib1 h GLN 77 CO 0.12 0.18 -0.01 0.52 -1.93 0.00 0.00 178.83 177.72 1ib1 h MET 78 N 0.00 -0.02 -0.37 1.69 2.86 -1.85 -2.50 114.93 114.75 1ib1 h MET 78 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ib1 h MET 78 Cb 1.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.80 1ib1 h MET 78 CO 0.02 0.70 0.24 0.00 1.06 0.00 0.00 176.91 178.93 1ib1 h ALA 79 N 0.16 0.46 -0.51 6.32 0.00 -1.64 -0.92 119.26 123.13 1ib1 h ALA 79 Ca -0.00 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1ib1 h ALA 79 Cb 0.73 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 1ib1 h ALA 79 CO 0.00 -0.08 -0.09 -0.09 0.00 0.00 0.00 179.25 178.99 1ib1 h ARG 80 N 0.49 0.03 -0.45 0.00 2.43 -1.53 0.30 114.38 115.66 1ib1 h ARG 80 Ca 0.13 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.20 1ib1 h ARG 80 Cb -0.05 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1ib1 h ARG 80 CO -0.03 0.02 -0.12 0.93 -1.51 0.00 0.00 179.97 179.26 1ib1 h GLU 81 N 0.03 0.87 -0.40 0.20 5.08 -1.08 -1.70 114.58 117.59 1ib1 h GLU 81 Ca 0.25 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1ib1 h GLU 81 Cb 0.39 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1ib1 h GLU 81 CO -0.50 0.98 0.09 -0.92 -1.00 0.00 0.00 179.01 177.66 1ib1 h TYR 82 N 0.71 0.68 -0.85 4.33 3.20 -0.32 0.21 116.97 124.92 1ib1 h TYR 82 Ca 0.11 -0.08 0.06 0.00 3.14 0.00 0.00 58.73 61.96 1ib1 h TYR 82 Cb 0.66 -0.19 -0.06 0.00 1.54 0.00 0.00 36.73 38.68 1ib1 h TYR 82 CO 0.05 0.66 0.53 -0.09 -1.64 0.00 0.00 178.16 177.66 1ib1 h ARG 83 N 0.51 0.93 -0.36 1.82 1.12 -0.33 0.68 114.38 118.74 1ib1 h ARG 83 Ca 0.12 -0.06 -0.09 0.00 -1.11 0.00 0.00 59.98 58.85 1ib1 h ARG 83 Cb 0.33 -0.21 -0.02 0.00 -0.01 0.00 0.00 29.97 30.06 1ib1 h ARG 83 CO 0.00 0.61 -0.16 0.93 -3.11 0.00 0.00 179.97 178.25 1ib1 h GLU 84 N 0.96 0.67 -0.60 0.20 5.08 -0.81 0.16 114.58 120.23 1ib1 h GLU 84 Ca 0.37 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1ib1 h GLU 84 Cb 0.18 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1ib1 h GLU 84 CO -0.18 0.79 0.20 -0.22 -1.00 0.00 0.00 179.01 178.61 1ib1 h LYS 85 N 0.60 0.92 -0.28 2.33 3.64 0.77 -1.54 116.57 123.00 1ib1 h LYS 85 Ca 0.10 -0.19 -0.14 0.00 -1.27 0.00 0.00 60.65 59.15 1ib1 h LYS 85 Cb 0.61 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1ib1 h LYS 85 CO 0.04 0.81 -0.41 0.82 -2.27 0.00 0.00 179.45 178.44 1ib1 h ILE 86 N 0.84 1.29 -0.51 2.00 2.04 -0.54 -2.96 117.51 119.68 1ib1 h ILE 86 Ca 0.19 -1.58 -0.03 0.00 1.00 0.00 0.00 64.86 64.44 1ib1 h ILE 86 Cb 0.26 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 1ib1 h ILE 86 CO -0.01 0.51 0.19 -0.33 0.00 0.00 0.00 178.15 178.50 1ib1 h GLU 87 N 0.56 0.74 -0.57 2.37 5.08 -0.21 0.04 114.58 122.58 1ib1 h GLU 87 Ca 0.05 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1ib1 h GLU 87 Cb 0.94 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1ib1 h GLU 87 CO 0.09 0.62 -0.00 1.15 -1.00 0.00 0.00 179.01 179.87 1ib1 h THR 88 N 0.73 1.26 -0.32 1.13 2.02 -1.14 0.27 112.91 116.85 1ib1 h THR 88 Ca 0.17 -1.13 -0.02 0.00 0.77 0.00 0.00 66.41 66.20 1ib1 h THR 88 Cb 0.17 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1ib1 h THR 88 CO -0.01 0.41 0.13 -0.08 0.37 0.00 0.00 175.52 176.33 1ib1 h GLU 89 N 0.90 0.48 -0.46 6.66 4.81 -1.27 -0.63 114.58 125.08 1ib1 h GLU 89 Ca 0.16 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1ib1 h GLU 89 Cb 0.55 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1ib1 h GLU 89 CO 0.03 0.48 0.19 1.25 -0.73 0.00 0.00 179.01 180.23 1ib1 h LEU 90 N 0.38 0.63 -0.41 1.64 5.85 -0.75 -2.24 115.31 120.39 1ib1 h LEU 90 Ca 0.11 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1ib1 h LEU 90 Cb 0.18 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1ib1 h LEU 90 CO -0.01 0.62 0.26 -0.09 -0.34 0.00 0.00 178.44 178.88 1ib1 h ARG 91 N 0.60 0.55 -0.30 1.25 9.65 -0.19 -2.25 114.38 123.68 1ib1 h ARG 91 Ca 0.15 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1ib1 h ARG 91 Cb 0.18 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 1ib1 h ARG 91 CO -0.01 0.39 0.19 -0.44 2.80 0.00 0.00 179.97 182.90 1ib1 h ASP 92 N 0.55 0.36 -0.10 -3.80 3.32 -0.88 -1.33 116.42 114.53 1ib1 h ASP 92 Ca 0.15 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.21 1ib1 h ASP 92 Cb -0.03 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1ib1 h ASP 92 CO -0.03 0.28 -0.11 0.40 -1.72 0.00 0.00 179.24 178.06 1ib1 h ILE 93 N 0.40 0.69 -0.38 0.35 2.04 -1.20 -0.89 117.51 118.53 1ib1 h ILE 93 Ca 0.11 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.99 1ib1 h ILE 93 Cb -0.02 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1ib1 h ILE 93 CO -0.02 0.00 0.21 0.00 0.00 0.00 0.00 178.15 178.34 1ib1 h ASN 95 N 0.43 0.42 0.54 0.00 2.35 -0.94 -0.33 115.58 118.05 1ib1 h ASN 95 Ca 0.16 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1ib1 h ASN 95 Cb 0.03 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1ib1 h ASN 95 CO -0.09 0.35 -0.31 0.44 -1.65 0.00 0.00 177.43 176.17 1ib1 h ASP 96 N 0.49 -0.77 0.13 5.81 5.19 -0.33 -0.00 116.42 126.94 1ib1 h ASP 96 Ca 0.13 0.04 -0.17 0.00 -0.62 0.00 0.00 57.03 56.40 1ib1 h ASP 96 Cb 0.01 0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.74 1ib1 h ASP 96 CO -0.02 -0.50 -0.64 1.62 -3.12 0.00 0.00 179.24 176.58 1ib1 h VAL 97 N -0.80 1.35 -0.60 -1.35 3.04 -1.25 -1.69 116.25 114.96 1ib1 h VAL 97 Ca -0.07 -1.96 -0.02 0.00 -1.01 0.00 0.00 66.70 63.64 1ib1 h VAL 97 Cb 0.64 1.94 -0.03 0.00 -2.01 0.00 0.00 31.29 31.83 1ib1 h VAL 97 CO 0.08 0.60 0.29 -0.07 -1.01 0.00 0.00 177.57 177.46 1ib1 h LEU 98 N 0.35 0.76 -0.22 3.16 4.07 -1.00 0.36 115.31 122.79 1ib1 h LEU 98 Ca -0.01 -0.07 -0.16 0.00 0.08 0.00 0.00 57.88 57.71 1ib1 h LEU 98 Cb 1.20 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.75 1ib1 h LEU 98 CO 0.12 0.65 -0.50 -1.28 -1.08 0.00 0.00 178.44 176.34 1ib1 h SER 99 N 0.84 0.83 -0.70 -0.43 0.87 -0.82 -1.18 113.55 112.96 1ib1 h SER 99 Ca 0.21 -0.56 0.01 0.00 -1.23 0.00 0.00 61.79 60.22 1ib1 h SER 99 Cb 0.09 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.77 1ib1 h SER 99 CO -0.03 1.24 0.46 -0.07 -0.53 0.00 0.00 176.83 177.90 1ib1 h LEU 100 N 0.46 0.79 0.33 2.23 4.07 -0.72 -0.30 115.31 122.18 1ib1 h LEU 100 Ca 0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 1ib1 h LEU 100 Cb 1.12 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.66 1ib1 h LEU 100 CO 0.11 0.57 -0.16 0.25 -1.08 0.00 0.00 178.44 178.13 1ib1 h LEU 101 N 0.94 -0.38 -1.30 1.67 5.85 -0.15 -0.33 115.31 121.61 1ib1 h LEU 101 Ca 0.26 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.92 1ib1 h LEU 101 Cb -0.09 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1ib1 h LEU 101 CO -0.06 -0.25 -0.14 -0.33 -0.34 0.00 0.00 178.44 177.32 1ib1 h GLU 102 N -0.48 0.30 0.08 1.25 3.07 -0.99 -0.72 114.58 117.09 1ib1 h GLU 102 Ca -0.05 -0.08 -0.32 0.00 -0.50 0.00 0.00 59.36 58.41 1ib1 h GLU 102 Cb 0.36 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 1ib1 h GLU 102 CO 0.08 0.44 -1.79 0.87 -1.40 0.00 0.00 179.01 177.21 1ib1 h LYS 103 N 0.28 0.16 0.00 2.33 1.57 -0.96 -3.42 116.57 116.52 1ib1 h LYS 103 Ca 0.06 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1ib1 h LYS 103 Cb 0.42 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1ib1 h LYS 103 CO 0.02 0.92 -0.60 1.19 -0.57 0.00 0.00 179.45 180.42 1ib1 n PHE 104 N -3.31 0.00 0.34 -1.35 3.01 -0.18 -4.81 117.46 111.16 1ib1 n PHE 104 Ca -0.23 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.09 1ib1 n PHE 104 Cb 1.05 0.19 -0.07 0.00 -0.01 0.00 0.00 39.48 40.64 1ib1 n PHE 104 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1ib1 h LEU 105 N 0.00 -0.84 -0.76 4.37 -0.00 -1.33 -2.42 115.31 114.33 1ib1 h LEU 105 Ca 0.00 0.04 -0.11 0.00 -0.00 0.00 0.00 57.88 57.80 1ib1 h LEU 105 Cb 0.60 0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 41.47 1ib1 h LEU 105 CO 0.00 -0.55 -0.28 0.16 -0.00 0.00 0.00 178.44 177.77 1ib1 h ILE 106 N -0.89 1.28 -0.24 1.22 3.07 -1.40 -2.85 117.51 117.69 1ib1 h ILE 106 Ca -0.09 -1.37 -0.05 0.00 1.55 0.00 0.00 64.86 64.90 1ib1 h ILE 106 Cb 0.70 1.34 -0.01 0.00 -0.27 0.00 0.00 36.82 38.57 1ib1 h ILE 106 CO 0.12 0.45 -0.07 -0.65 -1.05 0.00 0.00 178.15 176.94 1ib1 h PRO 107 N 0.55 0.38 -0.00 0.16 0.11 -1.75 -2.59 132.00 128.86 1ib1 h PRO 107 Ca 0.07 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1ib1 h PRO 107 Cb 0.76 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1ib1 h PRO 107 CO 0.06 0.47 -0.25 0.09 -0.21 0.00 0.00 178.00 178.16 1ib1 n ASN 108 N -4.27 0.34 -4.55 -2.05 5.03 -0.91 -4.85 115.26 103.99 1ib1 n ASN 108 Ca 0.00 -0.07 -0.35 0.00 0.87 0.00 0.00 54.58 55.04 1ib1 n ASN 108 Cb 0.26 -0.07 -0.03 0.00 -1.02 0.00 0.00 39.78 38.92 1ib1 n ASN 108 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ib1 s ALA 109 N -2.89 1.71 -0.05 5.41 0.00 -0.98 -4.82 121.76 120.14 1ib1 s ALA 109 Ca 0.16 -0.30 -0.22 0.00 0.00 0.00 0.00 51.96 51.60 1ib1 s ALA 109 Cb 0.19 -4.36 -0.31 0.00 0.00 0.00 0.00 23.12 18.63 1ib1 s ALA 109 CO 0.59 -4.44 0.88 0.66 0.00 0.00 0.00 175.76 173.46 1ib1 h SER 110 N 17.42 0.47 -2.96 0.00 4.64 -1.89 -3.44 113.55 127.79 1ib1 h SER 110 Ca -0.21 -0.95 -0.48 0.00 -0.47 0.00 0.00 61.79 59.67 1ib1 h SER 110 Cb 1.21 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1ib1 h SER 110 CO 1.17 1.41 -0.15 -1.10 -0.87 0.00 0.00 176.83 177.29 1ib1 s GLN 111 N -2.43 3.51 0.34 4.77 1.11 -1.26 -4.99 119.66 120.71 1ib1 s GLN 111 Ca -0.14 -0.22 0.07 0.00 0.01 0.00 0.00 55.36 55.09 1ib1 s GLN 111 Cb 0.01 -2.62 0.61 0.00 -1.01 0.00 0.00 33.01 30.00 1ib1 s GLN 111 CO 0.83 0.11 1.81 0.00 0.01 0.00 0.00 175.29 178.05 1ib1 h ALA 112 N 0.82 1.30 -0.65 6.09 0.00 -1.97 -0.90 119.26 123.94 1ib1 h ALA 112 Ca -0.49 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.08 1ib1 h ALA 112 Cb 1.21 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1ib1 h ALA 112 CO 0.62 0.47 0.24 1.49 0.00 0.00 0.00 179.25 182.07 1ib1 h GLU 113 N 0.25 0.96 -0.05 0.00 4.81 -1.94 -0.51 114.58 118.11 1ib1 h GLU 113 Ca 0.04 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 58.97 1ib1 h GLU 113 Cb 0.57 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.80 1ib1 h GLU 113 CO 0.04 0.80 -0.48 0.77 -0.73 0.00 0.00 179.01 179.41 1ib1 h SER 114 N 0.94 0.50 -0.71 1.04 0.02 -1.84 -2.51 113.55 110.99 1ib1 h SER 114 Ca 0.22 -0.70 0.05 0.00 -0.84 0.00 0.00 61.79 60.52 1ib1 h SER 114 Cb 0.21 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.55 1ib1 h SER 114 CO -0.02 1.13 0.42 0.11 -1.14 0.00 0.00 176.83 177.33 1ib1 h LYS 115 N -0.09 0.76 -0.13 3.45 1.57 -0.92 -1.24 116.57 119.97 1ib1 h LYS 115 Ca -0.05 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.52 1ib1 h LYS 115 Cb 1.16 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1ib1 h LYS 115 CO 0.10 0.50 -0.61 -0.24 -0.57 0.00 0.00 179.45 178.62 1ib1 h VAL 116 N 0.78 1.35 0.52 0.50 3.04 -1.15 -1.23 116.25 120.06 1ib1 h VAL 116 Ca 0.30 -1.92 -0.03 0.00 -1.01 0.00 0.00 66.70 64.04 1ib1 h VAL 116 Cb 0.13 1.91 0.01 0.00 -2.01 0.00 0.00 31.29 31.33 1ib1 h VAL 116 CO -0.16 0.59 -0.25 0.15 -1.01 0.00 0.00 177.57 176.89 1ib1 h PHE 117 N 0.34 -0.65 0.00 3.17 3.04 -0.97 0.33 116.94 122.19 1ib1 h PHE 117 Ca -0.01 -0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.86 1ib1 h PHE 117 Cb 1.16 0.22 -0.01 0.00 2.56 0.00 0.00 35.95 39.87 1ib1 h PHE 117 CO 0.04 -0.36 -0.33 1.88 -2.02 0.00 0.00 178.31 177.52 1ib1 h TYR 118 N -0.81 0.00 -0.09 0.41 0.05 -1.28 0.16 116.97 115.41 1ib1 h TYR 118 Ca -0.07 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.52 1ib1 h TYR 118 Cb 0.59 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.32 1ib1 h TYR 118 CO -0.02 0.33 -0.74 1.25 -1.05 0.00 0.00 178.16 177.93 1ib1 h LEU 119 N 0.00 0.56 -0.31 3.88 5.85 -1.07 -0.49 115.31 123.73 1ib1 h LEU 119 Ca -0.00 -0.37 -0.10 0.00 0.84 0.00 0.00 57.88 58.25 1ib1 h LEU 119 Cb 0.64 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1ib1 h LEU 119 CO 0.04 1.11 -0.20 0.50 -0.34 0.00 0.00 178.44 179.56 1ib1 h LYS 120 N 0.32 0.69 0.00 1.25 3.64 -0.49 -1.05 116.57 120.93 1ib1 h LYS 120 Ca -0.03 -0.32 -0.02 0.00 -1.27 0.00 0.00 60.65 59.00 1ib1 h LYS 120 Cb 1.32 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1ib1 h LYS 120 CO 0.13 0.92 -0.12 1.98 -2.27 0.00 0.00 179.45 180.10 1ib1 h MET 121 N 0.44 0.00 -0.20 1.90 4.05 -0.84 0.25 114.93 120.53 1ib1 h MET 121 Ca 0.06 0.00 -0.21 0.00 -0.28 0.00 0.00 59.70 59.28 1ib1 h MET 121 Cb 0.75 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.55 1ib1 h MET 121 CO 0.06 0.12 -0.68 -0.22 0.23 0.00 0.00 176.91 176.42 1ib1 h LYS 122 N 0.00 0.81 -0.24 0.39 3.64 -0.58 -2.22 116.57 118.37 1ib1 h LYS 122 Ca -0.00 -0.61 -0.12 0.00 -1.27 0.00 0.00 60.65 58.65 1ib1 h LYS 122 Cb 0.21 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1ib1 h LYS 122 CO 0.02 1.22 -0.35 0.78 -2.27 0.00 0.00 179.45 178.85 1ib1 h GLY 123 N 0.56 0.57 0.95 5.01 0.00 -0.10 -2.79 103.07 107.28 1ib1 h GLY 123 Ca -0.03 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.74 1ib1 h GLY 123 CO 0.14 0.48 -0.32 -0.55 0.00 0.00 0.00 176.54 176.30 1ib1 h ASP 124 N 0.45 -0.78 0.16 0.19 3.32 -0.41 -1.33 116.42 118.01 1ib1 h ASP 124 Ca 0.05 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 1ib1 h ASP 124 Cb 0.82 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 1ib1 h ASP 124 CO 0.07 -0.53 -0.24 1.88 -1.72 0.00 0.00 179.24 178.71 1ib1 h TYR 125 N -0.85 0.16 0.00 4.55 -1.99 -1.42 -0.35 116.97 117.06 1ib1 h TYR 125 Ca -0.08 -0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.54 1ib1 h TYR 125 Cb 0.67 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.35 1ib1 h TYR 125 CO -0.06 0.38 -0.41 1.88 -0.00 0.00 0.00 178.16 179.94 1ib1 h TYR 126 N 0.14 0.00 -0.13 4.88 0.05 -1.42 -0.80 116.97 119.69 1ib1 h TYR 126 Ca 0.02 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.75 1ib1 h TYR 126 Cb 0.50 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.23 1ib1 h TYR 126 CO 0.00 0.41 -0.11 -0.09 -1.05 0.00 0.00 178.16 177.33 1ib1 h ARG 127 N 0.00 0.31 -0.83 4.88 2.43 0.09 0.21 114.38 121.47 1ib1 h ARG 127 Ca -0.00 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 58.99 1ib1 h ARG 127 Cb 0.91 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.42 1ib1 h ARG 127 CO 0.05 0.69 0.45 1.88 -1.51 0.00 0.00 179.97 181.53 1ib1 h TYR 128 N -0.07 1.14 -0.35 2.20 0.05 -1.05 0.92 116.97 119.81 1ib1 h TYR 128 Ca 0.02 -0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 1ib1 h TYR 128 Cb 0.62 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 1ib1 h TYR 128 CO 0.08 0.79 -0.08 1.25 -1.05 0.00 0.00 178.16 179.15 1ib1 h LEU 129 N 1.16 0.56 -0.96 3.88 5.85 -0.93 -2.43 115.31 122.45 1ib1 h LEU 129 Ca 0.29 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 1ib1 h LEU 129 Cb 0.03 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1ib1 h LEU 129 CO -0.05 0.69 -0.43 0.00 -0.34 0.00 0.00 178.44 178.31 1ib1 h ALA 130 N 1.38 1.03 0.00 1.25 0.00 0.17 -1.72 119.26 121.37 1ib1 h ALA 130 Ca 0.10 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1ib1 h ALA 130 Cb 0.47 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ib1 h ALA 130 CO 0.03 0.53 -0.14 0.93 0.00 0.00 0.00 179.25 180.60 1ib1 h GLU 131 N 0.00 0.00 -0.01 0.00 5.08 -0.44 -2.82 114.58 116.39 1ib1 h GLU 131 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ib1 h GLU 131 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1ib1 h GLU 131 CO 0.06 0.14 -0.01 1.33 -1.00 0.00 0.00 179.01 179.52 1ib1 n VAL 132 N -3.73 0.00 -1.66 3.13 0.24 -1.12 -5.03 118.33 110.16 1ib1 n VAL 132 Ca -0.02 -0.50 -0.49 0.00 -2.04 0.00 0.00 64.34 61.29 1ib1 n VAL 132 Cb 0.25 1.12 -0.05 0.00 -1.47 0.00 0.00 33.84 33.69 1ib1 n VAL 132 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ib1 n ALA 133 N 0.29 0.55 -2.52 2.33 0.00 -0.66 -4.94 120.51 115.55 1ib1 n ALA 133 Ca 0.03 0.42 -0.42 0.00 0.00 0.00 0.00 53.44 53.47 1ib1 n ALA 133 Cb 0.15 -2.31 -0.09 0.00 0.00 0.00 0.00 19.45 17.20 1ib1 n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ib1 s ALA 134 N 1.88 3.46 0.00 0.00 0.00 -1.26 -4.76 121.76 121.08 1ib1 s ALA 134 Ca 0.86 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 51.52 1ib1 s ALA 134 Cb -0.79 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1ib1 s ALA 134 CO 0.46 -1.31 0.00 0.41 0.00 0.00 0.00 175.76 175.33 1ib1 n GLY 135 N 4.99 1.84 0.23 0.00 0.00 -1.26 -2.64 105.19 108.35 1ib1 n GLY 135 Ca -0.08 0.46 0.10 0.00 0.00 0.00 0.00 46.02 46.50 1ib1 n GLY 135 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ib1 h ASP 136 N 0.00 0.00 0.77 1.61 3.32 -2.04 -2.84 116.42 117.24 1ib1 h ASP 136 Ca 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1ib1 h ASP 136 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1ib1 h ASP 136 CO 0.00 0.21 -0.36 0.44 -1.72 0.00 0.00 179.24 177.81 1ib1 h ASP 137 N 0.00 0.00 -0.38 6.45 3.32 -1.89 -3.32 116.42 120.59 1ib1 h ASP 137 Ca -0.00 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.11 1ib1 h ASP 137 Cb 0.58 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.08 1ib1 h ASP 137 CO 0.03 0.36 0.07 0.50 -1.72 0.00 0.00 179.24 178.48 1ib1 h LYS 138 N 0.00 0.19 -0.25 3.56 3.64 -1.67 -2.88 116.57 119.16 1ib1 h LYS 138 Ca -0.00 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1ib1 h LYS 138 Cb 0.85 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.56 1ib1 h LYS 138 CO 0.05 0.13 -0.17 -0.22 -2.27 0.00 0.00 179.45 176.97 1ib1 h LYS 139 N 0.20 -0.15 -0.30 1.90 3.11 -1.74 -0.79 116.57 118.80 1ib1 h LYS 139 Ca 0.18 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.02 1ib1 h LYS 139 Cb 0.22 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.47 1ib1 h LYS 139 CO -0.24 -0.10 0.13 0.78 -2.81 0.00 0.00 179.45 177.21 1ib1 h GLY 140 N -0.15 0.46 0.84 5.01 0.00 -1.75 -2.58 103.07 104.90 1ib1 h GLY 140 Ca 0.14 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.26 1ib1 h GLY 140 CO -0.35 0.23 0.37 -2.22 0.00 0.00 0.00 176.54 174.57 1ib1 h ILE 141 N 0.34 1.05 0.00 2.60 2.04 -1.27 -1.51 117.51 120.77 1ib1 h ILE 141 Ca 0.10 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1ib1 h ILE 141 Cb 0.14 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1ib1 h ILE 141 CO -0.01 0.13 -0.19 0.58 0.00 0.00 0.00 178.15 178.66 1ib1 h VAL 142 N 0.73 0.95 -0.04 1.67 2.07 -0.93 -1.59 116.25 119.11 1ib1 h VAL 142 Ca 0.26 -0.68 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 1ib1 h VAL 142 Cb 0.05 1.39 0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1ib1 h VAL 142 CO -0.12 0.18 -0.32 0.44 0.02 0.00 0.00 177.57 177.77 1ib1 h ASP 143 N 0.00 0.36 -0.74 0.57 3.45 -0.92 -2.51 116.42 116.64 1ib1 h ASP 143 Ca -0.00 -0.69 0.13 0.00 0.43 0.00 0.00 57.03 56.90 1ib1 h ASP 143 Cb 0.37 -0.11 -0.09 0.00 -0.56 0.00 0.00 39.33 38.95 1ib1 h ASP 143 CO 0.02 0.99 0.31 1.56 -1.57 0.00 0.00 179.24 180.56 1ib1 h GLN 144 N -0.24 0.47 0.27 3.56 1.08 -0.83 0.46 115.11 119.87 1ib1 h GLN 144 Ca -0.03 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 1ib1 h GLN 144 Cb 1.00 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1ib1 h GLN 144 CO 0.07 0.31 -0.13 1.03 -0.95 0.00 0.00 178.83 179.16 1ib1 h SER 145 N 0.49 -0.31 -0.90 1.46 0.87 -1.34 -2.93 113.55 110.89 1ib1 h SER 145 Ca 0.39 -0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.88 1ib1 h SER 145 Cb 0.55 0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.54 1ib1 h SER 145 CO -0.36 -0.04 0.59 -0.61 -0.53 0.00 0.00 176.83 175.87 1ib1 h GLN 146 N -0.58 1.02 -0.08 2.24 4.15 -0.95 -1.24 115.11 119.67 1ib1 h GLN 146 Ca -0.04 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.20 1ib1 h GLN 146 Cb 0.42 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1ib1 h GLN 146 CO 0.06 0.67 -0.51 1.96 -1.93 0.00 0.00 178.83 179.08 1ib1 h GLN 147 N 1.05 0.22 -0.04 1.69 4.20 -0.94 0.14 115.11 121.43 1ib1 h GLN 147 Ca 0.38 -0.12 -0.12 0.00 0.06 0.00 0.00 58.65 58.84 1ib1 h GLN 147 Cb 0.15 0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.94 1ib1 h GLN 147 CO -0.13 0.68 -0.46 0.00 -0.67 0.00 0.00 178.83 178.25 1ib1 h ALA 148 N 1.30 0.11 -0.37 3.87 0.00 -1.26 -2.26 119.26 120.65 1ib1 h ALA 148 Ca 0.01 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.42 1ib1 h ALA 148 Cb 0.96 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1ib1 h ALA 148 CO 0.08 0.28 0.24 1.88 0.00 0.00 0.00 179.25 181.73 1ib1 h TYR 149 N -0.12 0.45 -0.58 0.00 0.05 -1.14 -1.35 116.97 114.28 1ib1 h TYR 149 Ca -0.05 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 1ib1 h TYR 149 Cb 1.14 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 38.71 1ib1 h TYR 149 CO 0.14 0.28 0.31 0.37 -1.05 0.00 0.00 178.16 178.20 1ib1 h GLN 150 N 0.48 0.82 -0.62 4.88 5.75 -0.75 -0.34 115.11 125.34 1ib1 h GLN 150 Ca 0.14 -0.10 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 1ib1 h GLN 150 Cb -0.04 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.33 1ib1 h GLN 150 CO -0.04 0.64 0.23 1.49 -2.65 0.00 0.00 178.83 178.50 1ib1 h GLU 151 N 0.79 0.94 -0.76 1.69 4.81 -1.04 -0.55 114.58 120.46 1ib1 h GLU 151 Ca 0.20 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1ib1 h GLU 151 Cb 0.07 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1ib1 h GLU 151 CO -0.03 0.81 0.27 0.00 -0.73 0.00 0.00 179.01 179.33 1ib1 h ALA 152 N 1.09 0.99 -0.65 2.92 0.00 -0.94 -1.78 119.26 120.88 1ib1 h ALA 152 Ca 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1ib1 h ALA 152 Cb 0.24 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1ib1 h ALA 152 CO -0.01 0.65 0.29 0.35 0.00 0.00 0.00 179.25 180.52 1ib1 h PHE 153 N 1.12 0.97 0.45 0.00 3.57 -0.67 0.16 116.94 122.54 1ib1 h PHE 153 Ca 0.25 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1ib1 h PHE 153 Cb 0.26 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1ib1 h PHE 153 CO 0.02 0.75 -0.38 1.49 -2.23 0.00 0.00 178.31 177.96 1ib1 h GLU 154 N 0.91 -0.80 -0.91 1.11 4.57 -0.69 -1.05 114.58 117.72 1ib1 h GLU 154 Ca 0.22 0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.44 1ib1 h GLU 154 Cb 0.17 0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.90 1ib1 h GLU 154 CO -0.02 -0.54 0.50 0.82 -1.18 0.00 0.00 179.01 178.60 1ib1 h ILE 155 N -0.83 1.26 -0.32 2.32 2.04 -1.19 -2.79 117.51 118.00 1ib1 h ILE 155 Ca -0.04 -0.64 0.06 0.00 1.00 0.00 0.00 64.86 65.24 1ib1 h ILE 155 Cb 0.72 0.02 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 1ib1 h ILE 155 CO -0.03 0.29 -0.05 0.28 0.00 0.00 0.00 178.15 178.64 1ib1 h SER 156 N 1.27 -0.24 -0.48 1.72 0.02 -0.30 0.95 113.55 116.50 1ib1 h SER 156 Ca 0.32 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.35 1ib1 h SER 156 Cb 0.02 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1ib1 h SER 156 CO -0.05 -0.08 0.27 0.11 -1.14 0.00 0.00 176.83 175.94 1ib1 h LYS 157 N 0.03 0.69 0.13 3.45 1.57 -0.94 -0.59 116.57 120.91 1ib1 h LYS 157 Ca 0.15 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 58.69 1ib1 h LYS 157 Cb 0.23 -0.14 0.02 0.00 0.08 0.00 0.00 32.23 32.41 1ib1 h LYS 157 CO -0.31 0.52 -0.76 0.87 -0.57 0.00 0.00 179.45 179.20 1ib1 h LYS 158 N 0.70 0.27 -0.02 3.15 1.57 -1.17 -3.40 116.57 117.67 1ib1 h LYS 158 Ca 0.18 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1ib1 h LYS 158 Cb 0.03 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1ib1 h LYS 158 CO -0.03 1.22 -0.01 0.39 -0.57 0.00 0.00 179.45 180.46 1ib1 n GLU 159 N -4.16 1.30 -4.43 3.15 4.71 0.26 -5.02 120.64 116.45 1ib1 n GLU 159 Ca -0.14 -1.47 -0.23 0.00 -0.01 0.00 0.00 57.16 55.31 1ib1 n GLU 159 Cb 0.80 -1.32 -0.13 0.00 -1.01 0.00 0.00 31.44 29.78 1ib1 n GLU 159 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 1ib1 s MET 160 N -1.38 1.12 0.54 3.49 -1.94 -0.23 -4.98 119.30 115.91 1ib1 s MET 160 Ca 0.19 -0.91 -0.19 0.00 -1.71 0.00 0.00 55.69 53.08 1ib1 s MET 160 Cb 0.14 -1.21 -0.06 0.00 2.01 0.00 0.00 34.83 35.71 1ib1 s MET 160 CO 0.21 0.30 1.09 -0.65 -0.01 0.00 0.00 175.02 175.96 1ib1 s GLN 161 N -1.33 3.47 0.49 2.03 -0.21 -1.26 -4.71 119.66 118.14 1ib1 s GLN 161 Ca 0.04 1.47 0.23 0.00 0.02 0.00 0.00 55.36 57.12 1ib1 s GLN 161 Cb -0.09 -2.04 1.28 0.00 1.00 0.00 0.00 33.01 33.17 1ib1 s GLN 161 CO 0.02 -0.73 1.93 -1.35 -2.12 0.00 0.00 175.29 173.05 1ib1 h PRO 162 N 1.16 0.16 -0.08 2.91 0.11 -1.93 -0.75 132.00 133.58 1ib1 h PRO 162 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ib1 h PRO 162 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ib1 h PRO 162 CO 0.57 0.11 0.00 0.25 -0.21 0.00 0.00 178.00 178.72 1ib1 n THR 163 N -4.40 0.10 -1.95 -1.15 -2.24 -1.26 -4.49 114.28 98.88 1ib1 n THR 163 Ca 0.14 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1ib1 n THR 163 Cb 0.67 0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 1ib1 n THR 163 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1ib1 s HIS 164 N -1.90 3.07 0.43 4.78 5.04 -0.29 -4.57 115.29 121.84 1ib1 s HIS 164 Ca 0.35 0.68 0.17 0.00 -1.54 0.00 0.00 55.06 54.72 1ib1 s HIS 164 Cb 0.18 -3.90 1.08 0.00 0.04 0.00 0.00 32.58 29.98 1ib1 s HIS 164 CO 0.28 -3.29 1.90 -1.35 -2.34 0.00 0.00 174.74 169.94 1ib1 h PRO 165 N 6.63 0.38 0.12 2.88 0.11 -1.91 0.66 132.00 140.87 1ib1 h PRO 165 Ca -0.43 -0.02 -0.28 0.00 0.11 0.00 0.00 66.00 65.38 1ib1 h PRO 165 Cb 1.21 -0.09 0.02 0.00 0.11 0.00 0.00 31.00 32.25 1ib1 h PRO 165 CO 0.90 0.25 -1.23 0.82 -0.21 0.00 0.00 178.00 178.53 1ib1 h ILE 166 N 0.39 1.39 -0.19 4.15 2.04 -1.97 -0.41 117.51 122.91 1ib1 h ILE 166 Ca 0.41 -2.74 -0.04 0.00 1.00 0.00 0.00 64.86 63.49 1ib1 h ILE 166 Cb 1.00 2.80 -0.01 0.00 -0.74 0.00 0.00 36.82 39.87 1ib1 h ILE 166 CO -0.13 0.81 -0.03 -0.09 0.00 0.00 0.00 178.15 178.71 1ib1 h ARG 167 N 0.16 0.36 -0.62 2.37 2.43 -1.65 -2.47 114.38 114.96 1ib1 h ARG 167 Ca -0.16 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 58.84 1ib1 h ARG 167 Cb 1.92 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 31.41 1ib1 h ARG 167 CO 0.22 0.60 0.23 -0.07 -1.51 0.00 0.00 179.97 179.44 1ib1 h LEU 168 N 0.09 0.88 -0.72 3.80 4.07 -0.97 -2.26 115.31 120.19 1ib1 h LEU 168 Ca 0.05 -0.18 0.05 0.00 0.08 0.00 0.00 57.88 57.88 1ib1 h LEU 168 Cb 0.45 -0.23 -0.05 0.00 1.08 0.00 0.00 40.66 41.91 1ib1 h LEU 168 CO 0.02 0.82 0.43 1.23 -1.08 0.00 0.00 178.44 179.86 1ib1 h GLY 169 N 0.88 1.07 1.07 0.83 0.00 -0.95 -1.47 103.07 104.49 1ib1 h GLY 169 Ca 0.21 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 1ib1 h GLY 169 CO -0.01 0.22 0.32 -2.00 0.00 0.00 0.00 176.54 175.06 1ib1 h LEU 170 N 0.81 1.09 -0.31 3.11 5.85 -1.20 -2.23 115.31 122.43 1ib1 h LEU 170 Ca 0.31 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1ib1 h LEU 170 Cb 0.13 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1ib1 h LEU 170 CO -0.16 0.97 0.09 0.00 -0.34 0.00 0.00 178.44 178.99 1ib1 h ALA 171 N 1.19 0.34 0.82 1.25 0.00 -0.70 0.24 119.26 122.39 1ib1 h ALA 171 Ca 0.26 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 1ib1 h ALA 171 Cb 0.22 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ib1 h ALA 171 CO -0.02 -0.32 -0.45 1.25 0.00 0.00 0.00 179.25 179.71 1ib1 h LEU 172 N 0.21 -1.11 -1.03 0.00 5.85 -1.11 -0.76 115.31 117.36 1ib1 h LEU 172 Ca 0.14 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.95 1ib1 h LEU 172 Cb 0.13 0.31 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 1ib1 h LEU 172 CO -0.16 -0.73 0.65 0.78 -0.34 0.00 0.00 178.44 178.64 1ib1 h ASN 173 N -1.18 1.08 -0.19 1.25 4.21 -1.30 -1.51 115.58 117.94 1ib1 h ASN 173 Ca -0.11 -0.01 -0.12 0.00 1.21 0.00 0.00 56.30 57.26 1ib1 h ASN 173 Cb 0.92 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.86 1ib1 h ASN 173 CO 0.15 0.75 -0.30 0.15 -1.29 0.00 0.00 177.43 176.88 1ib1 h PHE 174 N 1.26 0.79 -0.25 1.19 3.57 -0.49 -0.91 116.94 122.10 1ib1 h PHE 174 Ca 0.39 -0.20 -0.17 0.00 3.53 0.00 0.00 57.97 61.52 1ib1 h PHE 174 Cb -0.01 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.54 1ib1 h PHE 174 CO -0.00 0.91 -0.52 0.66 -2.23 0.00 0.00 178.31 177.12 1ib1 h SER 175 N 0.59 0.80 -0.23 0.41 4.64 -0.67 -2.43 113.55 116.65 1ib1 h SER 175 Ca 0.07 -0.42 -0.07 0.00 -0.47 0.00 0.00 61.79 60.91 1ib1 h SER 175 Cb 0.80 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 1ib1 h SER 175 CO 0.07 1.17 -0.06 0.58 -0.87 0.00 0.00 176.83 177.72 1ib1 h VAL 176 N 0.57 1.22 -0.35 0.95 2.07 -1.10 0.11 116.25 119.73 1ib1 h VAL 176 Ca 0.02 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.61 1ib1 h VAL 176 Cb 1.10 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1ib1 h VAL 176 CO 0.11 0.32 0.18 0.15 0.02 0.00 0.00 177.57 178.35 1ib1 h PHE 177 N 0.54 0.34 -0.54 1.57 3.57 -0.92 0.19 116.94 121.69 1ib1 h PHE 177 Ca 0.11 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 1ib1 h PHE 177 Cb 0.44 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1ib1 h PHE 177 CO 0.02 0.19 0.13 1.88 -2.23 0.00 0.00 178.31 178.29 1ib1 h TYR 178 N 0.38 0.91 0.42 0.41 0.05 -0.91 -0.24 116.97 117.99 1ib1 h TYR 178 Ca 0.14 -0.11 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 1ib1 h TYR 178 Cb 0.04 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.53 1ib1 h TYR 178 CO -0.09 0.80 -0.20 -0.92 -1.05 0.00 0.00 178.16 176.69 1ib1 h TYR 179 N 0.76 -0.53 0.00 4.88 3.20 -0.14 0.88 116.97 126.02 1ib1 h TYR 179 Ca 0.17 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.86 1ib1 h TYR 179 Cb 0.35 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 1ib1 h TYR 179 CO 0.02 -0.23 -2.10 -0.85 -1.64 0.00 0.00 178.16 173.36 1ib1 n GLU 180 N -5.25 0.76 0.00 1.82 0.28 -0.01 -3.10 120.64 115.14 1ib1 n GLU 180 Ca -0.11 -0.10 -0.14 0.00 -0.16 0.00 0.00 57.16 56.65 1ib1 n GLU 180 Cb 0.28 -1.48 -0.14 0.00 1.43 0.00 0.00 31.44 31.53 1ib1 n GLU 180 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1ib1 h ILE 181 N 0.00 0.84 0.00 3.84 1.08 -1.20 -3.38 117.51 118.69 1ib1 h ILE 181 Ca -0.24 -2.62 0.00 0.00 -0.39 0.00 0.00 64.86 61.61 1ib1 h ILE 181 Cb 1.51 2.51 0.00 0.00 -3.07 0.00 0.00 36.82 37.77 1ib1 h ILE 181 CO 0.01 0.68 -1.06 0.18 -0.69 0.00 0.00 178.15 177.28 1ib1 n LEU 182 N -3.25 0.52 -3.44 1.44 4.32 -0.60 -5.02 117.00 110.96 1ib1 n LEU 182 Ca -0.21 -0.34 -0.19 0.00 -0.02 0.00 0.00 56.01 55.24 1ib1 n LEU 182 Cb 1.05 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.91 1ib1 n LEU 182 CO 0.45 0.13 0.02 0.59 -1.22 0.00 0.00 177.39 177.36 1ib1 n ASN 183 N -1.59 -4.16 -3.45 -1.43 3.02 -0.57 -4.97 115.26 102.10 1ib1 n ASN 183 Ca 0.01 -0.74 -0.26 0.00 -0.03 0.00 0.00 54.58 53.55 1ib1 n ASN 183 Cb 0.30 -4.75 -0.09 0.00 -0.61 0.00 0.00 39.78 34.63 1ib1 n ASN 183 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ib1 n SER 184 N -3.10 1.20 -0.11 6.41 7.64 0.20 -4.99 113.62 120.88 1ib1 n SER 184 Ca -0.18 -2.83 -0.05 0.00 1.01 0.00 0.00 58.87 56.82 1ib1 n SER 184 Cb 0.64 -0.64 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 1ib1 n SER 184 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1ib1 h PRO 185 N 4.87 0.00 -0.21 1.43 0.11 -1.82 -0.22 132.00 136.15 1ib1 h PRO 185 Ca 0.18 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.31 1ib1 h PRO 185 Cb 0.82 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.91 1ib1 h PRO 185 CO 0.55 0.00 0.04 1.05 -0.21 0.00 0.00 178.00 179.43 1ib1 h GLU 186 N 0.00 0.12 -0.48 1.05 9.09 -1.96 0.84 114.58 123.24 1ib1 h GLU 186 Ca 0.18 -0.01 -0.11 0.00 0.05 0.00 0.00 59.36 59.47 1ib1 h GLU 186 Cb 0.27 -0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.33 1ib1 h GLU 186 CO -0.38 0.08 -0.13 -0.22 0.05 0.00 0.00 179.01 178.41 1ib1 h LYS 187 N 0.12 0.90 -0.37 1.06 3.11 -1.91 -1.40 116.57 118.08 1ib1 h LYS 187 Ca 0.10 -0.33 0.01 0.00 -2.81 0.00 0.00 60.65 57.62 1ib1 h LYS 187 Cb 0.09 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.24 1ib1 h LYS 187 CO -0.13 0.97 0.22 0.00 -2.81 0.00 0.00 179.45 177.70 1ib1 h ALA 188 N 1.05 0.47 -0.29 5.00 0.00 -0.62 -0.92 119.26 123.95 1ib1 h ALA 188 Ca 0.12 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1ib1 h ALA 188 Cb 0.66 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1ib1 h ALA 188 CO 0.05 -0.11 -0.27 0.00 0.00 0.00 0.00 179.25 178.92 1ib1 h SER 190 N 0.49 -0.25 -0.19 0.00 0.02 -0.74 0.21 113.55 113.09 1ib1 h SER 190 Ca 0.07 -0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1ib1 h SER 190 Cb 0.72 0.06 -0.07 0.00 0.14 0.00 0.00 62.40 63.25 1ib1 h SER 190 CO 0.06 -0.11 -0.33 0.25 -1.14 0.00 0.00 176.83 175.55 1ib1 h LEU 191 N -0.36 -1.05 -0.03 5.07 7.12 -1.09 0.75 115.31 125.71 1ib1 h LEU 191 Ca -0.03 0.16 -0.00 0.00 0.13 0.00 0.00 57.88 58.14 1ib1 h LEU 191 Cb 0.28 0.45 -0.00 0.00 -0.53 0.00 0.00 40.66 40.86 1ib1 h LEU 191 CO 0.05 -0.36 0.01 0.00 -0.13 0.00 0.00 178.44 178.02 1ib1 h ALA 192 N 0.46 0.04 -0.18 1.25 0.00 -1.35 -2.35 119.26 117.14 1ib1 h ALA 192 Ca 0.11 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ib1 h ALA 192 Cb 0.55 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1ib1 h ALA 192 CO -0.40 -0.38 0.10 -0.22 0.00 0.00 0.00 179.25 178.36 1ib1 h LYS 193 N -0.10 0.25 -0.12 0.00 3.64 -0.29 -1.32 116.57 118.63 1ib1 h LYS 193 Ca 0.01 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1ib1 h LYS 193 Cb 0.15 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1ib1 h LYS 193 CO -0.00 0.22 -0.08 1.15 -2.27 0.00 0.00 179.45 178.47 1ib1 h THR 194 N 0.20 0.76 -0.44 1.00 2.02 -0.89 0.74 112.91 116.31 1ib1 h THR 194 Ca 0.06 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.30 1ib1 h THR 194 Cb 0.04 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.16 1ib1 h THR 194 CO -0.01 0.00 0.16 0.00 0.37 0.00 0.00 175.52 176.04 1ib1 h ALA 195 N 1.02 0.52 -0.05 6.16 0.00 -1.27 0.21 119.26 125.86 1ib1 h ALA 195 Ca 0.07 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ib1 h ALA 195 Cb 0.19 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ib1 h ALA 195 CO -0.17 -0.23 0.02 0.35 0.00 0.00 0.00 179.25 179.22 1ib1 h PHE 196 N 0.33 0.07 -0.64 0.00 3.57 -0.90 -1.86 116.94 117.51 1ib1 h PHE 196 Ca 0.20 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1ib1 h PHE 196 Cb 0.19 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1ib1 h PHE 196 CO -0.15 0.21 0.39 -0.44 -2.23 0.00 0.00 178.31 176.09 1ib1 h ASP 197 N -0.09 0.78 -0.67 0.41 3.45 -0.56 0.12 116.42 119.85 1ib1 h ASP 197 Ca 0.02 -0.06 -0.07 0.00 0.43 0.00 0.00 57.03 57.34 1ib1 h ASP 197 Cb 0.17 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 38.72 1ib1 h ASP 197 CO -0.00 0.61 0.14 -0.33 -1.57 0.00 0.00 179.24 178.09 1ib1 h GLU 198 N 0.87 1.09 -0.32 3.56 5.08 -0.91 0.13 114.58 124.08 1ib1 h GLU 198 Ca 0.23 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1ib1 h GLU 198 Cb -0.02 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1ib1 h GLU 198 CO -0.04 0.98 0.13 0.00 -1.00 0.00 0.00 179.01 179.07 1ib1 h ALA 199 N 1.11 0.42 -0.89 3.43 0.00 -0.87 -1.79 119.26 120.67 1ib1 h ALA 199 Ca 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ib1 h ALA 199 Cb 0.39 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1ib1 h ALA 199 CO 0.01 0.02 0.55 0.82 0.00 0.00 0.00 179.25 180.65 1ib1 h ILE 200 N 0.37 1.24 0.14 0.00 1.08 -0.54 -1.85 117.51 117.95 1ib1 h ILE 200 Ca 0.11 -0.50 -0.00 0.00 -0.39 0.00 0.00 64.86 64.08 1ib1 h ILE 200 Cb 0.19 -0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 33.90 1ib1 h ILE 200 CO -0.01 0.25 -0.11 0.00 -0.69 0.00 0.00 178.15 177.59 1ib1 h ALA 201 N 1.30 -0.23 -0.81 1.87 0.00 -0.39 -0.30 119.26 120.71 1ib1 h ALA 201 Ca 0.32 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1ib1 h ALA 201 Cb -0.08 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1ib1 h ALA 201 CO -0.06 -0.64 0.52 1.49 0.00 0.00 0.00 179.25 180.55 1ib1 h GLU 202 N -0.25 0.99 -0.08 0.00 4.81 -1.07 -0.61 114.58 118.37 1ib1 h GLU 202 Ca -0.01 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1ib1 h GLU 202 Cb 0.23 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1ib1 h GLU 202 CO -0.01 0.66 -0.14 -0.07 -0.73 0.00 0.00 179.01 178.72 1ib1 h LEU 203 N 1.02 0.11 -1.23 1.64 3.38 -1.03 -2.87 115.31 116.33 1ib1 h LEU 203 Ca 0.32 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.19 1ib1 h LEU 203 Cb -0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1ib1 h LEU 203 CO -0.11 0.27 -0.30 0.44 0.09 0.00 0.00 178.44 178.83 1ib1 h ASP 204 N 0.11 0.14 0.36 -0.43 3.32 0.57 -2.64 116.42 117.86 1ib1 h ASP 204 Ca 0.02 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1ib1 h ASP 204 Cb 0.33 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1ib1 h ASP 204 CO 0.02 0.44 0.00 0.35 -1.72 0.00 0.00 179.24 178.33 1ib1 n THR 205 N -4.14 0.15 -1.20 0.35 -2.24 -1.08 -4.89 114.28 101.22 1ib1 n THR 205 Ca -0.01 0.04 -0.07 0.00 -2.27 0.00 0.00 64.05 61.73 1ib1 n THR 205 Cb 0.38 -0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 1ib1 n THR 205 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ib1 n LEU 206 N -1.22 0.11 -4.53 3.22 4.77 -1.00 -4.95 117.00 113.40 1ib1 n LEU 206 Ca 0.14 0.17 -0.30 0.00 -0.03 0.00 0.00 56.01 55.99 1ib1 n LEU 206 Cb 0.17 -2.55 0.20 0.00 -2.33 0.00 0.00 43.42 38.91 1ib1 n LEU 206 CO 0.18 -1.00 0.41 -1.54 -1.33 0.00 0.00 177.39 174.12 1ib1 n SER 207 N -1.07 -0.93 0.14 -1.43 3.41 -1.26 -4.94 113.62 107.54 1ib1 n SER 207 Ca -0.07 0.16 0.01 0.00 -0.26 0.00 0.00 58.87 58.70 1ib1 n SER 207 Cb 0.54 -1.32 0.14 0.00 -0.26 0.00 0.00 64.21 63.31 1ib1 n SER 207 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1ib1 h GLU 208 N -2.16 0.00 -0.00 4.33 4.39 -1.97 -3.17 114.58 116.01 1ib1 h GLU 208 Ca -0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.19 1ib1 h GLU 208 Cb 1.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1ib1 h GLU 208 CO 0.43 0.60 -0.01 0.39 -1.16 0.00 0.00 179.01 179.25 1ib1 n GLU 209 N -3.51 0.79 -2.19 2.33 4.71 -1.26 -4.85 120.64 116.66 1ib1 n GLU 209 Ca -0.00 -0.07 -0.41 0.00 -0.01 0.00 0.00 57.16 56.67 1ib1 n GLU 209 Cb 0.67 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.57 1ib1 n GLU 209 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1ib1 s SER 210 N -2.26 6.87 -0.04 1.62 0.01 -1.20 -5.00 113.70 113.70 1ib1 s SER 210 Ca 0.38 2.51 -0.20 0.00 1.31 0.00 0.00 55.95 59.96 1ib1 s SER 210 Cb 0.21 -2.63 -0.14 0.00 0.21 0.00 0.00 66.02 63.67 1ib1 s SER 210 CO 0.41 -0.50 0.84 1.88 0.41 0.00 0.00 173.24 176.28 1ib1 h TYR 211 N 4.46 -0.28 -0.79 2.43 -1.99 -1.89 -3.47 116.97 115.43 1ib1 h TYR 211 Ca -0.47 -0.01 -0.12 0.00 2.00 0.00 0.00 58.73 60.14 1ib1 h TYR 211 Cb 1.22 0.09 -0.05 0.00 2.00 0.00 0.00 36.73 40.00 1ib1 h TYR 211 CO 0.59 0.08 -0.10 0.36 -0.00 0.00 0.00 178.16 179.09 1ib1 n LYS 212 N -4.99 -1.59 -0.04 4.88 0.00 -1.26 -4.67 118.16 110.49 1ib1 n LYS 212 Ca -0.08 0.45 -0.01 0.00 -0.00 0.00 0.00 58.31 58.68 1ib1 n LYS 212 Cb 0.25 -4.33 -0.14 0.00 -0.00 0.00 0.00 35.03 30.81 1ib1 n LYS 212 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ib1 n ASP 213 N 0.35 0.21 -1.95 -5.58 8.00 -1.26 -4.39 116.55 111.93 1ib1 n ASP 213 Ca -0.06 0.09 -0.13 0.00 0.71 0.00 0.00 54.79 55.41 1ib1 n ASP 213 Cb 0.30 1.13 0.21 0.00 -0.02 0.00 0.00 41.12 42.74 1ib1 n ASP 213 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ib1 n SER 214 N -2.62 4.05 -0.20 -2.24 3.41 -1.26 -4.66 113.62 110.09 1ib1 n SER 214 Ca -0.18 -3.21 0.01 0.00 -0.26 0.00 0.00 58.87 55.24 1ib1 n SER 214 Cb 0.88 -0.75 0.12 0.00 -0.26 0.00 0.00 64.21 64.20 1ib1 n SER 214 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1ib1 h THR 215 N 1.58 0.68 -0.15 6.66 2.02 -1.95 -2.52 112.91 119.24 1ib1 h THR 215 Ca 0.39 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.46 1ib1 h THR 215 Cb 2.36 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 69.10 1ib1 h THR 215 CO 0.80 0.06 0.08 0.25 0.37 0.00 0.00 175.52 177.08 1ib1 h LEU 216 N 0.32 0.13 -2.39 2.58 5.85 -1.96 -0.86 115.31 118.98 1ib1 h LEU 216 Ca 0.32 0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.06 1ib1 h LEU 216 Cb 0.46 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1ib1 h LEU 216 CO -0.37 0.10 0.05 0.40 -0.34 0.00 0.00 178.44 178.28 1ib1 h ILE 217 N 0.17 0.53 0.24 4.05 2.04 -1.83 0.12 117.51 122.83 1ib1 h ILE 217 Ca 0.06 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.58 1ib1 h ILE 217 Cb -0.00 0.96 0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1ib1 h ILE 217 CO -0.03 0.00 -1.55 0.24 0.00 0.00 0.00 178.15 176.81 1ib1 h MET 218 N 0.00 0.50 -0.74 2.37 2.86 -0.98 -2.19 114.93 116.74 1ib1 h MET 218 Ca 0.02 -0.85 -0.04 0.00 -2.06 0.00 0.00 59.70 56.77 1ib1 h MET 218 Cb 0.12 0.32 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 1ib1 h MET 218 CO -0.00 1.41 0.30 1.96 1.06 0.00 0.00 176.91 181.64 1ib1 h GLN 219 N 0.12 1.10 -0.74 1.72 1.08 0.17 -0.55 115.11 118.01 1ib1 h GLN 219 Ca -0.28 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 1ib1 h GLN 219 Cb 2.14 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 29.35 1ib1 h GLN 219 CO 0.25 0.89 0.47 -0.07 -0.95 0.00 0.00 178.83 179.41 1ib1 h LEU 220 N 1.08 0.88 -0.35 1.46 4.07 -0.85 0.66 115.31 122.25 1ib1 h LEU 220 Ca 0.25 -0.05 -0.04 0.00 0.08 0.00 0.00 57.88 58.13 1ib1 h LEU 220 Cb 0.19 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 1ib1 h LEU 220 CO -0.02 0.66 0.08 -0.07 -1.08 0.00 0.00 178.44 178.01 1ib1 h LEU 221 N 1.01 0.53 -0.63 1.67 3.38 -0.71 -2.15 115.31 118.42 1ib1 h LEU 221 Ca 0.27 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1ib1 h LEU 221 Cb -0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1ib1 h LEU 221 CO -0.05 0.63 -0.39 0.08 0.09 0.00 0.00 178.44 178.80 1ib1 h ARG 222 N 0.41 0.64 -0.52 1.13 0.11 -0.68 -2.06 114.38 113.41 1ib1 h ARG 222 Ca 0.11 -0.32 0.03 0.00 0.10 0.00 0.00 59.98 59.90 1ib1 h ARG 222 Cb 0.31 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.36 1ib1 h ARG 222 CO 0.00 0.92 0.30 -0.44 0.10 0.00 0.00 179.97 180.85 1ib1 h ASP 223 N 0.53 0.46 -0.84 0.08 5.19 -0.73 0.20 116.42 121.31 1ib1 h ASP 223 Ca 0.05 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.45 1ib1 h ASP 223 Cb 0.91 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 40.29 1ib1 h ASP 223 CO 0.08 0.32 0.46 0.78 -3.12 0.00 0.00 179.24 177.76 1ib1 h ASN 224 N 0.58 1.06 -0.01 6.45 4.21 -1.20 0.10 115.58 126.77 1ib1 h ASN 224 Ca 0.22 -0.09 -0.00 0.00 1.21 0.00 0.00 56.30 57.63 1ib1 h ASN 224 Cb 0.06 -0.27 -0.00 0.00 -1.12 0.00 0.00 38.32 36.99 1ib1 h ASN 224 CO -0.12 0.85 0.00 -0.07 -1.29 0.00 0.00 177.43 176.81 1ib1 h LEU 225 N 1.19 0.02 -0.98 1.61 4.07 -0.44 0.69 115.31 121.46 1ib1 h LEU 225 Ca 0.30 -0.19 0.12 0.00 0.08 0.00 0.00 57.88 58.19 1ib1 h LEU 225 Cb 0.03 -0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.69 1ib1 h LEU 225 CO -0.05 0.20 0.61 0.74 -1.08 0.00 0.00 178.44 178.87 1ib1 h THR 226 N -0.16 0.92 -0.38 0.22 2.02 -0.30 -1.34 112.91 113.89 1ib1 h THR 226 Ca 0.00 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 1ib1 h THR 226 Cb 0.19 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.44 1ib1 h THR 226 CO -0.00 0.18 0.10 0.25 0.37 0.00 0.00 175.52 176.42 1ib1 h LEU 227 N 0.98 0.57 -1.00 2.58 5.85 -0.30 -3.51 115.31 120.47 1ib1 h LEU 227 Ca 0.49 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1ib1 h LEU 227 Cb 0.47 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1ib1 h LEU 227 CO -0.26 0.64 0.00 0.79 -0.34 0.00 0.00 178.44 179.27