#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 0.44 0.34 -0.67 3.64 -1.99 -2.18 116.57 116.14 1ib1 h LYS 3 Ca 0.00 -0.03 -0.02 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 31.73 1ib1 h LYS 3 CO 0.00 0.29 -0.16 -0.91 -2.27 0.00 0.00 179.45 176.39 1ib1 h ASN 4 N 0.45 -0.39 -0.92 4.20 -0.26 -2.03 -2.29 115.58 114.34 1ib1 h ASN 4 Ca 0.25 -0.03 0.20 0.00 -0.56 0.00 0.00 56.30 56.16 1ib1 h ASN 4 Cb 0.22 0.10 -0.11 0.00 -1.06 0.00 0.00 38.32 37.46 1ib1 h ASN 4 CO -0.21 -0.22 0.47 -0.33 -1.06 0.00 0.00 177.43 176.08 1ib1 h GLU 5 N -0.53 0.52 -0.69 0.81 5.08 -1.94 0.25 114.58 118.08 1ib1 h GLU 5 Ca -0.05 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1ib1 h GLU 5 Cb 0.40 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1ib1 h GLU 5 CO 0.08 0.35 0.15 -0.07 -1.00 0.00 0.00 179.01 178.52 1ib1 h LEU 6 N 0.54 1.05 -0.23 1.33 4.07 -1.16 0.27 115.31 121.18 1ib1 h LEU 6 Ca 0.56 -0.23 -0.20 0.00 0.08 0.00 0.00 57.88 58.09 1ib1 h LEU 6 Cb 0.97 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.44 1ib1 h LEU 6 CO -0.46 1.02 -0.63 0.58 -1.08 0.00 0.00 178.44 177.87 1ib1 h VAL 7 N 1.05 1.28 -0.26 1.22 2.07 -0.31 -0.02 116.25 121.28 1ib1 h VAL 7 Ca 0.22 -1.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 1ib1 h VAL 7 Cb 0.39 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1ib1 h VAL 7 CO 0.00 0.59 0.13 1.56 0.02 0.00 0.00 177.57 179.87 1ib1 h GLN 8 N 0.60 0.36 -0.11 1.57 7.50 -0.35 0.04 115.11 124.72 1ib1 h GLN 8 Ca -0.01 -0.05 -0.07 0.00 0.50 0.00 0.00 58.65 59.02 1ib1 h GLN 8 Cb 1.25 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 28.70 1ib1 h GLN 8 CO 0.14 0.34 -0.25 -0.22 -1.50 0.00 0.00 178.83 177.34 1ib1 h LYS 9 N 0.29 0.18 -0.42 1.46 3.64 -0.41 -1.69 116.57 119.63 1ib1 h LYS 9 Ca 0.09 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.26 1ib1 h LYS 9 Cb 0.09 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1ib1 h LYS 9 CO -0.01 0.43 -0.33 0.00 -2.27 0.00 0.00 179.45 177.26 1ib1 h ALA 10 N 1.58 0.61 0.00 5.00 0.00 -0.29 0.92 119.26 127.08 1ib1 h ALA 10 Ca 0.03 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1ib1 h ALA 10 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ib1 h ALA 10 CO 0.04 0.68 -0.40 0.87 0.00 0.00 0.00 179.25 180.44 1ib1 h LYS 11 N 0.80 0.00 -0.05 0.00 1.57 -0.67 -2.06 116.57 116.17 1ib1 h LYS 11 Ca 0.08 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1ib1 h LYS 11 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1ib1 h LYS 11 CO 0.09 0.40 -0.19 1.25 -0.57 0.00 0.00 179.45 180.43 1ib1 h LEU 12 N 0.00 0.25 -1.66 2.94 5.85 -0.87 -3.05 115.31 118.78 1ib1 h LEU 12 Ca -0.00 -0.63 -0.04 0.00 0.84 0.00 0.00 57.88 58.05 1ib1 h LEU 12 Cb 0.85 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1ib1 h LEU 12 CO 0.05 0.84 -0.19 0.00 -0.34 0.00 0.00 178.44 178.80 1ib1 h ALA 13 N 0.42 1.35 -0.43 1.25 0.00 -0.67 -0.17 119.26 121.00 1ib1 h ALA 13 Ca -0.01 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1ib1 h ALA 13 Cb 0.82 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1ib1 h ALA 13 CO 0.04 0.24 -0.18 1.49 0.00 0.00 0.00 179.25 180.84 1ib1 h GLU 14 N 0.00 0.88 -0.12 0.00 4.81 -1.37 0.22 114.58 119.00 1ib1 h GLU 14 Ca -0.00 -0.37 -0.19 0.00 -0.13 0.00 0.00 59.36 58.66 1ib1 h GLU 14 Cb 0.44 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 1ib1 h GLU 14 CO 0.02 1.02 -0.72 1.96 -0.73 0.00 0.00 179.01 180.57 1ib1 h GLN 15 N 0.71 0.55 0.00 1.92 4.20 -1.29 -2.55 115.11 118.65 1ib1 h GLN 15 Ca 0.10 -0.43 0.00 0.00 0.06 0.00 0.00 58.65 58.38 1ib1 h GLN 15 Cb 0.74 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.60 1ib1 h GLN 15 CO 0.06 1.06 0.00 0.00 -0.67 0.00 0.00 178.83 179.28 1ib1 n ALA 16 N -2.54 2.08 -2.01 3.87 0.00 -0.13 -4.87 120.51 116.89 1ib1 n ALA 16 Ca -0.05 -0.10 -0.16 0.00 0.00 0.00 0.00 53.44 53.13 1ib1 n ALA 16 Cb 0.70 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.28 -1.20 -3.16 0.00 1.02 -0.55 -4.95 120.64 110.52 1ib1 n GLU 17 Ca 0.10 0.86 -0.40 0.00 -0.02 0.00 0.00 57.16 57.70 1ib1 n GLU 17 Cb 0.16 -5.17 -0.01 0.00 -0.02 0.00 0.00 31.44 26.40 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 -2.52 3.91 0.30 3.49 1.74 0.65 -4.89 116.66 119.34 1ib1 n ARG 18 Ca -0.18 -4.57 0.17 0.00 -0.77 0.00 0.00 57.85 52.51 1ib1 n ARG 18 Cb 0.60 -2.46 0.99 0.00 -1.02 0.00 0.00 32.46 30.57 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 5.33 0.00 -0.07 -1.55 0.05 -1.92 -2.04 116.97 116.77 1ib1 h TYR 19 Ca 0.20 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.85 1ib1 h TYR 19 Cb 0.66 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.38 1ib1 h TYR 19 CO 0.92 0.00 -0.51 -0.44 -1.05 0.00 0.00 178.16 177.07 1ib1 h ASP 20 N 0.00 0.19 -0.04 3.88 3.32 -1.90 -0.93 116.42 120.95 1ib1 h ASP 20 Ca 0.01 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 1ib1 h ASP 20 Cb 0.06 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1ib1 h ASP 20 CO -0.00 0.68 -0.19 0.44 -1.72 0.00 0.00 179.24 178.45 1ib1 h ASP 21 N 0.14 0.23 -0.91 6.45 3.32 -1.77 -2.43 116.42 121.45 1ib1 h ASP 21 Ca 0.00 -0.67 0.13 0.00 0.02 0.00 0.00 57.03 56.51 1ib1 h ASP 21 Cb 0.96 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 40.35 1ib1 h ASP 21 CO 0.08 0.86 0.53 -0.03 -1.72 0.00 0.00 179.24 178.95 1ib1 h MET 22 N -0.38 0.79 -0.18 3.56 4.05 -1.27 -0.78 114.93 120.71 1ib1 h MET 22 Ca -0.01 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.34 1ib1 h MET 22 Cb 0.85 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.47 1ib1 h MET 22 CO 0.04 0.52 0.02 0.00 0.23 0.00 0.00 176.91 177.72 1ib1 h ALA 23 N 1.53 0.24 -0.90 0.39 0.00 -1.18 -2.18 119.26 117.15 1ib1 h ALA 23 Ca 0.47 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.30 1ib1 h ALA 23 Cb 0.54 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 1ib1 h ALA 23 CO -0.30 -0.08 0.54 0.00 0.00 0.00 0.00 179.25 179.41 1ib1 h ALA 24 N 0.81 1.32 -0.13 0.00 0.00 -0.77 0.25 119.26 120.74 1ib1 h ALA 24 Ca 0.05 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ib1 h ALA 24 Cb 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ib1 h ALA 24 CO 0.01 0.16 0.04 0.00 0.00 0.00 0.00 179.25 179.45 1ib1 h MET 26 N 0.02 0.00 -0.08 0.00 2.86 -0.70 -1.74 114.93 115.29 1ib1 h MET 26 Ca 0.04 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.49 1ib1 h MET 26 Cb 0.24 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 1ib1 h MET 26 CO -0.00 0.19 -0.75 -0.22 1.06 0.00 0.00 176.91 177.19 1ib1 h LYS 27 N 0.00 0.44 -0.25 1.72 3.64 -0.28 -2.08 116.57 119.77 1ib1 h LYS 27 Ca -0.00 -0.37 -0.11 0.00 -1.27 0.00 0.00 60.65 58.90 1ib1 h LYS 27 Cb 0.60 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1ib1 h LYS 27 CO 0.02 1.01 -0.29 0.77 -2.27 0.00 0.00 179.45 178.70 1ib1 h SER 28 N 0.30 0.68 -0.53 4.20 0.02 -0.79 -1.95 113.55 115.49 1ib1 h SER 28 Ca -0.04 -0.49 0.01 0.00 -0.84 0.00 0.00 61.79 60.44 1ib1 h SER 28 Cb 1.33 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.65 1ib1 h SER 28 CO 0.13 1.03 0.34 0.58 -1.14 0.00 0.00 176.83 177.78 1ib1 h VAL 29 N 0.34 1.11 -0.49 2.27 2.07 -1.31 -1.60 116.25 118.65 1ib1 h VAL 29 Ca 0.03 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1ib1 h VAL 29 Cb 0.86 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1ib1 h VAL 29 CO 0.07 0.13 0.21 0.74 0.02 0.00 0.00 177.57 178.73 1ib1 h THR 30 N 0.69 1.18 0.00 2.57 2.02 -1.32 -2.42 112.91 115.63 1ib1 h THR 30 Ca 0.20 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1ib1 h THR 30 Cb -0.05 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1ib1 h THR 30 CO -0.06 0.21 0.00 -0.62 0.37 0.00 0.00 175.52 175.42 1ib1 n GLU 31 N -4.36 0.65 -0.32 6.66 1.02 -0.61 -2.13 120.64 121.54 1ib1 n GLU 31 Ca 0.04 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.24 1ib1 n GLU 31 Cb 0.14 -1.47 0.21 0.00 -0.02 0.00 0.00 31.44 30.30 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 -0.97 2.42 -0.72 3.49 6.02 -0.91 -4.92 117.38 121.78 1ib1 n GLN 32 Ca 0.15 -1.66 0.00 0.00 -0.01 0.00 0.00 57.00 55.48 1ib1 n GLN 32 Cb 0.07 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.79 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 0.93 0.00 3.85 1.08 0.00 -0.90 -4.96 105.19 105.19 1ib1 n GLY 33 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.99 3.68 0.22 4.61 0.00 -1.26 -5.03 121.76 123.00 1ib1 s ALA 34 Ca 0.00 -0.24 -0.32 0.00 0.00 0.00 0.00 51.96 51.40 1ib1 s ALA 34 Cb 0.00 -2.39 -0.12 0.00 0.00 0.00 0.00 23.12 20.61 1ib1 s ALA 34 CO 0.00 0.50 1.68 -1.91 0.00 0.00 0.00 175.76 176.03 1ib1 n GLU 35 N 1.31 2.68 -2.50 0.00 2.13 -1.26 -4.86 120.64 118.13 1ib1 n GLU 35 Ca -0.10 0.96 -0.37 0.00 0.66 0.00 0.00 57.16 58.31 1ib1 n GLU 35 Cb 0.52 -2.79 -0.04 0.00 0.27 0.00 0.00 31.44 29.41 1ib1 n GLU 35 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ib1 s LEU 36 N 0.79 4.18 0.79 4.31 1.02 -1.26 -5.05 118.68 123.46 1ib1 s LEU 36 Ca 0.73 2.10 -0.12 0.00 0.02 0.00 0.00 54.13 56.86 1ib1 s LEU 36 Cb -0.53 -4.12 0.07 0.00 0.02 0.00 0.00 46.19 41.63 1ib1 s LEU 36 CO 0.36 -0.49 1.10 -0.94 0.02 0.00 0.00 176.35 176.40 1ib1 s SER 37 N -1.45 4.56 0.35 2.29 1.04 -1.26 -4.76 113.70 114.47 1ib1 s SER 37 Ca 0.57 1.24 0.07 0.00 0.48 0.00 0.00 55.95 58.30 1ib1 s SER 37 Cb -0.24 -1.96 0.76 0.00 0.10 0.00 0.00 66.02 64.67 1ib1 s SER 37 CO 0.30 -1.92 1.91 0.78 0.98 0.00 0.00 173.24 175.30 1ib1 h ASN 38 N -1.05 0.68 0.01 7.02 2.35 -1.98 0.13 115.58 122.73 1ib1 h ASN 38 Ca -0.47 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1ib1 h ASN 38 Cb 1.27 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.52 1ib1 h ASN 38 CO 0.60 0.40 -0.00 -0.08 -1.65 0.00 0.00 177.43 176.70 1ib1 h GLU 39 N 0.75 -0.01 -0.37 0.81 4.81 -1.99 -0.58 114.58 118.00 1ib1 h GLU 39 Ca 0.38 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 1ib1 h GLU 39 Cb 0.47 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1ib1 h GLU 39 CO -0.15 0.25 0.19 0.93 -0.73 0.00 0.00 179.01 179.49 1ib1 h GLU 40 N -0.26 0.50 -0.21 1.92 5.08 -1.72 -0.51 114.58 119.37 1ib1 h GLU 40 Ca -0.00 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1ib1 h GLU 40 Cb 0.26 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1ib1 h GLU 40 CO 0.00 0.38 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.30 1ib1 h ARG 41 N 0.51 0.38 -0.54 2.33 2.43 -0.46 -1.21 114.38 117.80 1ib1 h ARG 41 Ca 0.13 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1ib1 h ARG 41 Cb 0.04 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1ib1 h ARG 41 CO -0.02 0.58 0.32 -0.97 -1.51 0.00 0.00 179.97 178.36 1ib1 h ASN 42 N 0.13 0.66 -0.75 -3.80 -0.73 -0.48 -1.18 115.58 109.44 1ib1 h ASN 42 Ca 0.06 -0.07 0.04 0.00 1.87 0.00 0.00 56.30 58.20 1ib1 h ASN 42 Cb 0.41 -0.17 -0.05 0.00 0.27 0.00 0.00 38.32 38.78 1ib1 h ASN 42 CO 0.01 0.54 0.46 -0.07 -0.37 0.00 0.00 177.43 178.00 1ib1 h LEU 43 N 0.73 0.74 -0.34 0.34 4.07 -0.96 0.97 115.31 120.86 1ib1 h LEU 43 Ca 0.19 0.01 -0.07 0.00 0.08 0.00 0.00 57.88 58.09 1ib1 h LEU 43 Cb 0.01 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 1ib1 h LEU 43 CO -0.03 0.50 -0.06 0.25 -1.08 0.00 0.00 178.44 178.02 1ib1 h LEU 44 N 0.88 0.63 -0.38 1.67 5.85 -0.86 -0.31 115.31 122.78 1ib1 h LEU 44 Ca 0.31 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1ib1 h LEU 44 Cb 0.08 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1ib1 h LEU 44 CO -0.13 0.83 0.18 -1.28 -0.34 0.00 0.00 178.44 177.70 1ib1 h SER 45 N 0.42 0.50 -0.40 1.25 0.87 -0.81 -2.39 113.55 112.99 1ib1 h SER 45 Ca 0.09 -0.13 -0.14 0.00 -1.23 0.00 0.00 61.79 60.38 1ib1 h SER 45 Cb 0.54 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1ib1 h SER 45 CO 0.03 0.49 -0.29 0.58 -0.53 0.00 0.00 176.83 177.11 1ib1 h VAL 46 N 0.48 1.28 0.30 2.23 2.07 -0.79 0.60 116.25 122.42 1ib1 h VAL 46 Ca 0.13 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 1ib1 h VAL 46 Cb 0.12 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1ib1 h VAL 46 CO -0.02 0.49 -0.15 0.00 0.02 0.00 0.00 177.57 177.92 1ib1 h ALA 47 N 0.80 -0.41 -0.33 1.67 0.00 -0.95 -2.12 119.26 117.92 1ib1 h ALA 47 Ca 0.08 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1ib1 h ALA 47 Cb 0.88 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1ib1 h ALA 47 CO 0.08 -0.73 -0.34 1.88 0.00 0.00 0.00 179.25 180.14 1ib1 h TYR 48 N -0.41 0.86 -0.27 0.00 0.05 -1.43 -0.30 116.97 115.46 1ib1 h TYR 48 Ca -0.04 -0.23 -0.02 0.00 0.05 0.00 0.00 58.73 58.49 1ib1 h TYR 48 Cb 0.32 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 1ib1 h TYR 48 CO -0.06 0.97 0.09 -0.22 -1.05 0.00 0.00 178.16 177.90 1ib1 h LYS 49 N 0.61 0.37 0.04 4.88 1.63 -0.79 -0.11 116.57 123.20 1ib1 h LYS 49 Ca 0.06 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.75 1ib1 h LYS 49 Cb 0.87 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 32.44 1ib1 h LYS 49 CO 0.08 0.32 -0.30 -0.91 -3.45 0.00 0.00 179.45 175.19 1ib1 h ASN 50 N 0.37 0.20 -0.72 4.20 2.35 -1.04 -1.47 115.58 119.47 1ib1 h ASN 50 Ca 0.09 -0.91 0.06 0.00 -0.55 0.00 0.00 56.30 55.00 1ib1 h ASN 50 Cb 0.10 -0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.35 1ib1 h ASN 50 CO -0.01 1.09 0.41 0.58 -1.65 0.00 0.00 177.43 177.86 1ib1 h VAL 51 N -0.66 0.98 0.18 2.81 2.07 -0.62 -2.17 116.25 118.84 1ib1 h VAL 51 Ca -0.05 -0.26 -0.31 0.00 0.82 0.00 0.00 66.70 66.90 1ib1 h VAL 51 Cb 1.17 0.16 0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1ib1 h VAL 51 CO 0.06 0.14 -1.35 1.62 0.02 0.00 0.00 177.57 178.06 1ib1 h VAL 52 N 0.76 1.33 -0.81 2.57 3.04 -1.13 -3.29 116.25 118.72 1ib1 h VAL 52 Ca 0.32 -2.71 0.10 0.00 -1.01 0.00 0.00 66.70 63.40 1ib1 h VAL 52 Cb 0.19 2.91 -0.06 0.00 -2.01 0.00 0.00 31.29 32.32 1ib1 h VAL 52 CO -0.18 0.81 0.53 1.23 -1.01 0.00 0.00 177.57 178.95 1ib1 h GLY 53 N 0.56 1.08 0.80 3.17 0.00 -1.00 0.45 103.07 108.13 1ib1 h GLY 53 Ca -0.21 -0.31 0.02 0.00 0.00 0.00 0.00 47.33 46.83 1ib1 h GLY 53 CO 0.25 0.18 -0.06 0.00 0.00 0.00 0.00 176.54 176.91 1ib1 h ALA 54 N 1.59 -0.02 -0.61 3.60 0.00 -1.46 -0.59 119.26 121.77 1ib1 h ALA 54 Ca 0.38 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.21 1ib1 h ALA 54 Cb 0.45 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1ib1 h ALA 54 CO -0.15 -0.53 0.01 0.00 0.00 0.00 0.00 179.25 178.57 1ib1 h ARG 55 N -0.08 1.07 -0.68 0.00 -0.00 -1.41 -2.15 114.38 111.14 1ib1 h ARG 55 Ca 0.04 -0.34 0.04 0.00 -0.50 0.00 0.00 59.98 59.22 1ib1 h ARG 55 Cb 0.13 -0.10 -0.05 0.00 0.00 0.00 0.00 29.97 29.96 1ib1 h ARG 55 CO -0.09 1.04 0.41 0.00 0.00 0.00 0.00 179.97 181.33 1ib1 h ARG 56 N 0.97 0.77 -0.06 0.04 3.08 -0.57 0.91 114.38 119.52 1ib1 h ARG 56 Ca 0.17 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 1ib1 h ARG 56 Cb 0.55 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 1ib1 h ARG 56 CO 0.03 0.51 0.03 1.03 -1.07 0.00 0.00 179.97 180.50 1ib1 h SER 57 N 0.79 0.08 -0.46 7.04 0.87 -0.90 -0.74 113.55 120.24 1ib1 h SER 57 Ca 0.28 -0.12 0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1ib1 h SER 57 Cb 0.06 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1ib1 h SER 57 CO -0.13 0.18 0.30 0.28 -0.53 0.00 0.00 176.83 176.94 1ib1 h SER 58 N -0.02 0.47 0.17 6.23 0.02 -1.07 -2.46 113.55 116.89 1ib1 h SER 58 Ca 0.02 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1ib1 h SER 58 Cb 0.12 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1ib1 h SER 58 CO -0.00 0.33 -0.08 -0.25 -1.14 0.00 0.00 176.83 175.69 1ib1 h TRP 59 N 0.55 -0.21 -0.80 3.45 7.01 -0.03 -1.90 115.95 124.02 1ib1 h TRP 59 Ca 0.18 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.28 1ib1 h TRP 59 Cb 0.04 0.07 -0.08 0.00 -2.10 0.00 0.00 29.16 27.10 1ib1 h TRP 59 CO -0.00 0.11 0.44 0.00 -2.79 0.00 0.00 178.44 176.19 1ib1 h ARG 60 N -0.54 0.69 -0.06 2.65 3.08 -0.85 -0.44 114.38 118.91 1ib1 h ARG 60 Ca -0.02 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1ib1 h ARG 60 Cb 0.41 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 1ib1 h ARG 60 CO 0.04 0.46 -0.03 -0.24 -1.07 0.00 0.00 179.97 179.13 1ib1 h VAL 61 N 0.72 1.33 0.00 2.04 3.04 -1.42 -1.67 116.25 120.30 1ib1 h VAL 61 Ca 0.40 -1.06 -0.03 0.00 -1.01 0.00 0.00 66.70 65.00 1ib1 h VAL 61 Cb 0.42 1.93 -0.00 0.00 -2.01 0.00 0.00 31.29 31.62 1ib1 h VAL 61 CO -0.27 0.29 -0.14 1.62 -1.01 0.00 0.00 177.57 178.06 1ib1 h VAL 62 N -0.27 0.70 -0.05 1.51 3.04 -1.01 -0.19 116.25 119.98 1ib1 h VAL 62 Ca 0.01 -0.58 -0.13 0.00 -1.01 0.00 0.00 66.70 64.99 1ib1 h VAL 62 Cb 0.48 1.36 0.01 0.00 -2.01 0.00 0.00 31.29 31.13 1ib1 h VAL 62 CO 0.01 0.14 -0.49 0.28 -1.01 0.00 0.00 177.57 176.50 1ib1 h SER 63 N 0.00 0.51 -0.10 3.17 0.02 -0.99 -1.21 113.55 114.95 1ib1 h SER 63 Ca -0.00 -0.70 0.00 0.00 -0.84 0.00 0.00 61.79 60.25 1ib1 h SER 63 Cb 0.34 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1ib1 h SER 63 CO 0.02 1.13 0.05 -1.28 -1.14 0.00 0.00 176.83 175.61 1ib1 h SER 64 N -0.07 0.08 -0.55 3.07 0.87 -0.65 0.23 113.55 116.53 1ib1 h SER 64 Ca -0.05 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.58 1ib1 h SER 64 Cb 1.17 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 63.06 1ib1 h SER 64 CO 0.10 0.06 0.24 0.40 -0.53 0.00 0.00 176.83 177.10 1ib1 h ILE 65 N 0.11 0.87 -0.09 2.23 2.04 -1.08 0.58 117.51 122.17 1ib1 h ILE 65 Ca 0.04 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1ib1 h ILE 65 Cb 0.00 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1ib1 h ILE 65 CO -0.02 0.08 0.06 -0.08 0.00 0.00 0.00 178.15 178.19 1ib1 h GLU 66 N 0.45 0.12 -0.09 2.37 4.81 -0.55 0.32 114.58 122.01 1ib1 h GLU 66 Ca 0.26 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.52 1ib1 h GLU 66 Cb 0.24 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 1ib1 h GLU 66 CO -0.22 0.09 -0.21 1.96 -0.73 0.00 0.00 179.01 179.90 1ib1 h GLN 67 N 0.11 -0.28 0.00 1.92 7.50 -0.04 -2.21 115.11 122.11 1ib1 h GLN 67 Ca 0.03 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.20 1ib1 h GLN 67 Cb 0.00 0.06 0.00 0.00 0.05 0.00 0.00 27.48 27.59 1ib1 h GLN 67 CO -0.01 -0.18 0.00 0.87 -1.50 0.00 0.00 178.83 178.01 1ib1 h LYS 68 N -0.29 0.00 -4.90 1.46 6.56 -0.55 -3.33 116.57 115.53 1ib1 h LYS 68 Ca 0.09 0.00 -0.70 0.00 -1.06 0.00 0.00 60.65 58.97 1ib1 h LYS 68 Cb 0.41 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 31.99 1ib1 h LYS 68 CO -0.25 0.00 2.48 0.25 -2.06 0.00 0.00 179.45 179.87 1ib1 n THR 69 N -2.67 3.81 -3.24 -0.16 -2.24 0.07 -4.93 114.28 104.93 1ib1 n THR 69 Ca 0.00 -3.77 -0.39 0.00 -2.27 0.00 0.00 64.05 57.63 1ib1 n THR 69 Cb 0.19 -2.46 -0.06 0.00 -2.10 0.00 0.00 70.33 65.91 1ib1 n THR 69 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1ib1 s GLU 70 N 3.34 4.32 -0.60 -0.78 2.56 -1.25 -4.12 118.70 122.17 1ib1 s GLU 70 Ca 0.49 0.62 0.00 0.00 0.00 0.00 0.00 54.97 56.09 1ib1 s GLU 70 Cb 0.08 -3.39 0.00 0.00 2.00 0.00 0.00 34.13 32.82 1ib1 s GLU 70 CO 0.00 0.26 0.00 0.41 -0.56 0.00 0.00 175.26 175.37 1ib1 n GLY 71 N 2.84 0.45 2.31 -1.50 0.00 -1.26 -4.97 105.19 103.06 1ib1 n GLY 71 Ca -0.06 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.21 2.69 -0.25 4.61 0.00 -1.26 -5.00 120.51 121.09 1ib1 n ALA 72 Ca -0.07 -3.25 0.06 0.00 0.00 0.00 0.00 53.44 50.18 1ib1 n ALA 72 Cb 0.40 -0.78 0.19 0.00 0.00 0.00 0.00 19.45 19.26 1ib1 n ALA 72 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ib1 h GLU 73 N 4.93 0.29 0.64 0.00 5.08 -1.93 0.34 114.58 123.92 1ib1 h GLU 73 Ca 0.18 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1ib1 h GLU 73 Cb 0.89 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.08 1ib1 h GLU 73 CO 0.41 0.19 -0.31 -0.22 -1.00 0.00 0.00 179.01 178.09 1ib1 h LYS 74 N 0.30 -0.82 -0.21 2.33 1.63 -1.99 -0.40 116.57 117.41 1ib1 h LYS 74 Ca 0.42 0.06 0.04 0.00 -0.85 0.00 0.00 60.65 60.32 1ib1 h LYS 74 Cb 0.72 0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 32.50 1ib1 h LYS 74 CO -0.50 -0.51 -0.05 0.87 -3.45 0.00 0.00 179.45 175.81 1ib1 h LYS 75 N -0.99 0.00 -0.52 1.90 1.57 -1.84 -2.37 116.57 114.32 1ib1 h LYS 75 Ca -0.09 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1ib1 h LYS 75 Cb 0.69 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 1ib1 h LYS 75 CO 0.14 0.00 0.23 0.37 -0.57 0.00 0.00 179.45 179.63 1ib1 h GLN 76 N 0.00 0.73 -0.34 3.15 4.15 -0.39 -2.56 115.11 119.86 1ib1 h GLN 76 Ca 0.10 -0.09 -0.09 0.00 0.77 0.00 0.00 58.65 59.34 1ib1 h GLN 76 Cb 0.15 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 1ib1 h GLN 76 CO -0.22 0.58 -0.16 0.37 -1.93 0.00 0.00 178.83 177.48 1ib1 h GLN 77 N 0.73 0.62 -0.74 1.69 4.15 -0.57 0.13 115.11 121.13 1ib1 h GLN 77 Ca 0.18 -0.21 -0.06 0.00 0.77 0.00 0.00 58.65 59.33 1ib1 h GLN 77 Cb 0.11 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 1ib1 h GLN 77 CO -0.02 0.75 0.23 0.52 -1.93 0.00 0.00 178.83 178.38 1ib1 h MET 78 N 0.56 1.15 -0.37 1.69 2.86 -1.07 -0.16 114.93 119.59 1ib1 h MET 78 Ca 0.09 -0.25 -0.14 0.00 -2.06 0.00 0.00 59.70 57.35 1ib1 h MET 78 Cb 0.59 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1ib1 h MET 78 CO 0.04 0.98 -0.32 0.00 1.06 0.00 0.00 176.91 178.66 1ib1 h ALA 79 N 1.14 0.74 -0.14 6.32 0.00 -1.07 -2.26 119.26 123.99 1ib1 h ALA 79 Ca 0.24 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ib1 h ALA 79 Cb 0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1ib1 h ALA 79 CO -0.01 0.66 0.09 -0.09 0.00 0.00 0.00 179.25 179.90 1ib1 h ARG 80 N 0.69 0.19 -0.33 0.00 2.43 -0.22 -0.70 114.38 116.43 1ib1 h ARG 80 Ca 0.07 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 1ib1 h ARG 80 Cb 0.87 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 1ib1 h ARG 80 CO 0.08 0.15 -0.08 0.93 -1.51 0.00 0.00 179.97 179.53 1ib1 h GLU 81 N 0.17 0.65 -0.47 0.20 5.08 -1.01 -1.92 114.58 117.28 1ib1 h GLU 81 Ca 0.05 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1ib1 h GLU 81 Cb 0.01 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1ib1 h GLU 81 CO -0.01 0.82 0.26 -0.92 -1.00 0.00 0.00 179.01 178.16 1ib1 h TYR 82 N 0.43 0.65 -0.83 4.33 3.20 -1.33 0.79 116.97 124.20 1ib1 h TYR 82 Ca 0.08 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.01 1ib1 h TYR 82 Cb 0.58 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.58 1ib1 h TYR 82 CO 0.05 0.48 0.50 -0.09 -1.64 0.00 0.00 178.16 177.46 1ib1 h ARG 83 N 0.62 0.87 -0.55 1.82 2.43 -1.04 0.32 114.38 118.85 1ib1 h ARG 83 Ca 0.17 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.20 1ib1 h ARG 83 Cb 0.04 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 1ib1 h ARG 83 CO -0.03 0.57 0.01 0.93 -1.51 0.00 0.00 179.97 179.95 1ib1 h GLU 84 N 0.89 0.94 -0.68 0.20 5.08 -0.66 0.15 114.58 120.50 1ib1 h GLU 84 Ca 0.37 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1ib1 h GLU 84 Cb 0.23 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1ib1 h GLU 84 CO -0.19 0.92 0.43 -0.22 -1.00 0.00 0.00 179.01 178.94 1ib1 h LYS 85 N 0.87 0.92 -0.21 2.33 3.64 0.64 -1.36 116.57 123.39 1ib1 h LYS 85 Ca 0.16 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.32 1ib1 h LYS 85 Cb 0.50 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1ib1 h LYS 85 CO 0.02 0.64 -0.48 0.82 -2.27 0.00 0.00 179.45 178.18 1ib1 h ILE 86 N 0.93 1.31 -0.53 2.00 2.04 -0.54 -2.91 117.51 119.81 1ib1 h ILE 86 Ca 0.25 -1.69 -0.07 0.00 1.00 0.00 0.00 64.86 64.35 1ib1 h ILE 86 Cb -0.06 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1ib1 h ILE 86 CO -0.05 0.53 0.06 -0.33 0.00 0.00 0.00 178.15 178.35 1ib1 h GLU 87 N 0.44 0.85 -0.61 2.37 5.08 -0.10 -0.07 114.58 122.53 1ib1 h GLU 87 Ca 0.02 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.10 1ib1 h GLU 87 Cb 1.00 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1ib1 h GLU 87 CO 0.09 0.82 0.11 1.15 -1.00 0.00 0.00 179.01 180.18 1ib1 h THR 88 N 0.81 1.26 -0.50 1.13 2.02 -1.16 0.29 112.91 116.76 1ib1 h THR 88 Ca 0.16 -0.99 -0.02 0.00 0.77 0.00 0.00 66.41 66.33 1ib1 h THR 88 Cb 0.40 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1ib1 h THR 88 CO 0.01 0.37 0.23 -0.08 0.37 0.00 0.00 175.52 176.42 1ib1 h GLU 89 N 0.92 0.72 -0.42 6.66 4.81 -1.27 -0.84 114.58 125.16 1ib1 h GLU 89 Ca 0.19 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 1ib1 h GLU 89 Cb 0.41 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1ib1 h GLU 89 CO 0.01 0.61 0.03 1.25 -0.73 0.00 0.00 179.01 180.18 1ib1 h LEU 90 N 0.66 0.70 -0.39 1.64 5.85 -0.73 -2.51 115.31 120.53 1ib1 h LEU 90 Ca 0.17 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1ib1 h LEU 90 Cb 0.13 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1ib1 h LEU 90 CO -0.02 0.82 0.25 -0.09 -0.34 0.00 0.00 178.44 179.05 1ib1 h ARG 91 N 0.57 0.52 -0.69 1.25 9.65 -0.15 -2.02 114.38 123.50 1ib1 h ARG 91 Ca 0.12 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.95 1ib1 h ARG 91 Cb 0.44 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.87 1ib1 h ARG 91 CO 0.02 0.37 0.37 -0.44 2.80 0.00 0.00 179.97 183.09 1ib1 h ASP 92 N 0.52 0.87 -0.02 -3.80 3.32 -1.05 -1.22 116.42 115.05 1ib1 h ASP 92 Ca 0.14 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1ib1 h ASP 92 Cb -0.02 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.30 1ib1 h ASP 92 CO -0.03 0.73 0.01 0.40 -1.72 0.00 0.00 179.24 178.63 1ib1 h ILE 93 N 0.95 1.03 -0.28 0.35 2.04 -1.17 -1.20 117.51 119.23 1ib1 h ILE 93 Ca 0.24 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 66.06 1ib1 h ILE 93 Cb 0.06 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1ib1 h ILE 93 CO -0.04 0.02 0.12 0.00 0.00 0.00 0.00 178.15 178.25 1ib1 h ASN 95 N 0.26 0.17 0.54 0.00 2.35 -1.07 -0.09 115.58 117.74 1ib1 h ASN 95 Ca 0.12 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1ib1 h ASN 95 Cb 0.07 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.40 1ib1 h ASN 95 CO -0.10 0.14 -0.26 0.44 -1.65 0.00 0.00 177.43 176.00 1ib1 h ASP 96 N 0.19 -0.61 0.20 5.81 5.19 -0.15 -0.50 116.42 126.55 1ib1 h ASP 96 Ca 0.05 -0.01 -0.15 0.00 -0.62 0.00 0.00 57.03 56.30 1ib1 h ASP 96 Cb 0.02 0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 1ib1 h ASP 96 CO -0.01 -0.38 -0.56 1.62 -3.12 0.00 0.00 179.24 176.79 1ib1 h VAL 97 N -0.81 1.35 -0.60 -1.35 3.04 -1.20 -1.75 116.25 114.94 1ib1 h VAL 97 Ca -0.07 -1.86 -0.04 0.00 -1.01 0.00 0.00 66.70 63.72 1ib1 h VAL 97 Cb 0.59 1.87 -0.03 0.00 -2.01 0.00 0.00 31.29 31.71 1ib1 h VAL 97 CO 0.12 0.56 0.23 -0.07 -1.01 0.00 0.00 177.57 177.40 1ib1 h LEU 98 N 0.29 0.80 -0.20 3.16 4.07 -0.95 0.25 115.31 122.73 1ib1 h LEU 98 Ca 0.00 -0.11 -0.16 0.00 0.08 0.00 0.00 57.88 57.69 1ib1 h LEU 98 Cb 1.08 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.61 1ib1 h LEU 98 CO 0.10 0.73 -0.52 -1.28 -1.08 0.00 0.00 178.44 176.39 1ib1 h SER 99 N 0.86 0.81 -0.75 -0.43 0.87 -0.91 -1.08 113.55 112.92 1ib1 h SER 99 Ca 0.20 -0.57 0.01 0.00 -1.23 0.00 0.00 61.79 60.20 1ib1 h SER 99 Cb 0.19 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.88 1ib1 h SER 99 CO -0.02 1.23 0.49 -0.07 -0.53 0.00 0.00 176.83 177.93 1ib1 h LEU 100 N 0.42 0.86 0.40 2.23 4.07 -0.76 -0.21 115.31 122.32 1ib1 h LEU 100 Ca -0.01 -0.03 -0.02 0.00 0.08 0.00 0.00 57.88 57.90 1ib1 h LEU 100 Cb 1.13 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.66 1ib1 h LEU 100 CO 0.11 0.63 -0.19 0.25 -1.08 0.00 0.00 178.44 178.17 1ib1 h LEU 101 N 1.01 -0.45 -1.25 1.67 5.85 -0.37 0.05 115.31 121.82 1ib1 h LEU 101 Ca 0.27 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.94 1ib1 h LEU 101 Cb -0.10 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1ib1 h LEU 101 CO -0.06 -0.29 0.02 -0.33 -0.34 0.00 0.00 178.44 177.44 1ib1 h GLU 102 N -0.58 0.53 0.06 1.25 3.07 -0.97 -0.65 114.58 117.29 1ib1 h GLU 102 Ca -0.05 -0.11 -0.31 0.00 -0.50 0.00 0.00 59.36 58.39 1ib1 h GLU 102 Cb 0.43 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.23 1ib1 h GLU 102 CO 0.09 0.54 -1.72 0.87 -1.40 0.00 0.00 179.01 177.39 1ib1 h LYS 103 N 0.51 0.13 0.00 2.33 1.57 -0.96 -3.42 116.57 116.73 1ib1 h LYS 103 Ca 0.11 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1ib1 h LYS 103 Cb 0.30 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1ib1 h LYS 103 CO 0.01 0.86 -0.56 1.19 -0.57 0.00 0.00 179.45 180.37 1ib1 n PHE 104 N -3.27 -0.11 0.23 -1.35 3.01 -0.04 -4.82 117.46 111.10 1ib1 n PHE 104 Ca -0.20 0.02 -0.11 0.00 1.01 0.00 0.00 57.45 58.17 1ib1 n PHE 104 Cb 1.04 0.19 -0.06 0.00 -0.01 0.00 0.00 39.48 40.65 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 -0.71 -0.85 4.37 -0.00 -1.34 -2.48 115.31 114.29 1ib1 h LEU 105 Ca 0.00 0.04 -0.10 0.00 -0.00 0.00 0.00 57.88 57.82 1ib1 h LEU 105 Cb 0.56 0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 41.42 1ib1 h LEU 105 CO 0.00 -0.42 -0.20 0.16 -0.00 0.00 0.00 178.44 177.98 1ib1 h ILE 106 N -0.67 1.26 -0.34 1.22 3.07 -1.39 -2.77 117.51 117.90 1ib1 h ILE 106 Ca -0.06 -1.24 -0.05 0.00 1.55 0.00 0.00 64.86 65.06 1ib1 h ILE 106 Cb 0.54 1.22 -0.02 0.00 -0.27 0.00 0.00 36.82 38.29 1ib1 h ILE 106 CO 0.05 0.41 0.00 -0.65 -1.05 0.00 0.00 178.15 176.90 1ib1 h PRO 107 N 0.57 0.53 -0.00 0.16 0.11 -1.75 -2.60 132.00 129.01 1ib1 h PRO 107 Ca 0.09 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1ib1 h PRO 107 Cb 0.65 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1ib1 h PRO 107 CO 0.05 0.56 -0.19 0.09 -0.21 0.00 0.00 178.00 178.30 1ib1 n ASN 108 N -4.28 0.20 -4.55 -2.05 5.03 -0.93 -4.84 115.26 103.83 1ib1 n ASN 108 Ca 0.02 0.19 -0.33 0.00 0.87 0.00 0.00 54.58 55.33 1ib1 n ASN 108 Cb 0.24 -0.21 -0.04 0.00 -1.02 0.00 0.00 39.78 38.76 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 -2.98 1.60 -0.03 5.41 0.00 -0.98 -4.81 121.76 119.97 1ib1 s ALA 109 Ca 0.13 -0.34 -0.21 0.00 0.00 0.00 0.00 51.96 51.54 1ib1 s ALA 109 Cb 0.18 -4.39 -0.29 0.00 0.00 0.00 0.00 23.12 18.63 1ib1 s ALA 109 CO 0.59 -4.59 0.97 0.66 0.00 0.00 0.00 175.76 173.38 1ib1 h SER 110 N 17.06 0.51 -2.83 0.00 4.64 -1.89 -3.44 113.55 127.60 1ib1 h SER 110 Ca -0.19 -0.89 -0.48 0.00 -0.47 0.00 0.00 61.79 59.76 1ib1 h SER 110 Cb 1.19 -0.16 0.01 0.00 -0.31 0.00 0.00 62.40 63.13 1ib1 h SER 110 CO 1.15 1.36 -0.18 -1.10 -0.87 0.00 0.00 176.83 177.18 1ib1 s GLN 111 N -2.68 3.49 0.32 4.77 1.11 -1.26 -4.99 119.66 120.41 1ib1 s GLN 111 Ca -0.13 -0.32 0.04 0.00 0.01 0.00 0.00 55.36 54.96 1ib1 s GLN 111 Cb 0.02 -2.66 0.54 0.00 -1.01 0.00 0.00 33.01 29.90 1ib1 s GLN 111 CO 0.84 0.14 1.82 0.00 0.01 0.00 0.00 175.29 178.10 1ib1 h ALA 112 N 0.78 1.28 -0.58 6.09 0.00 -1.98 -0.74 119.26 124.10 1ib1 h ALA 112 Ca -0.50 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.13 1ib1 h ALA 112 Cb 1.22 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1ib1 h ALA 112 CO 0.61 0.48 0.24 1.49 0.00 0.00 0.00 179.25 182.07 1ib1 h GLU 113 N 0.47 0.84 -0.01 0.00 4.81 -1.94 -0.25 114.58 118.50 1ib1 h GLU 113 Ca 0.09 -0.13 -0.17 0.00 -0.13 0.00 0.00 59.36 59.03 1ib1 h GLU 113 Cb 0.45 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.69 1ib1 h GLU 113 CO 0.02 0.69 -0.65 0.77 -0.73 0.00 0.00 179.01 179.11 1ib1 h SER 114 N 0.83 0.59 -0.71 1.04 0.02 -1.81 -2.48 113.55 111.03 1ib1 h SER 114 Ca 0.20 -0.74 0.04 0.00 -0.84 0.00 0.00 61.79 60.45 1ib1 h SER 114 Cb 0.15 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.46 1ib1 h SER 114 CO -0.02 1.26 0.43 0.11 -1.14 0.00 0.00 176.83 177.47 1ib1 h LYS 115 N -0.01 0.80 -0.11 3.45 1.57 -0.79 -1.11 116.57 120.37 1ib1 h LYS 115 Ca -0.08 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.47 1ib1 h LYS 115 Cb 1.35 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 1ib1 h LYS 115 CO 0.13 0.53 -0.69 -0.24 -0.57 0.00 0.00 179.45 178.61 1ib1 h VAL 116 N 0.82 1.35 0.76 0.50 3.04 -1.12 -1.60 116.25 120.00 1ib1 h VAL 116 Ca 0.30 -2.03 -0.04 0.00 -1.01 0.00 0.00 66.70 63.93 1ib1 h VAL 116 Cb 0.09 2.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 1ib1 h VAL 116 CO -0.14 0.62 -0.39 0.15 -1.01 0.00 0.00 177.57 176.80 1ib1 h PHE 117 N 0.34 -1.00 0.00 3.17 3.04 -0.93 0.28 116.94 121.84 1ib1 h PHE 117 Ca -0.02 -0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.85 1ib1 h PHE 117 Cb 1.26 0.34 -0.01 0.00 2.56 0.00 0.00 35.95 40.10 1ib1 h PHE 117 CO 0.05 -0.61 -0.28 1.88 -2.02 0.00 0.00 178.31 177.32 1ib1 h TYR 118 N -1.05 0.00 -0.13 0.41 0.05 -1.27 -0.60 116.97 114.38 1ib1 h TYR 118 Ca -0.10 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.48 1ib1 h TYR 118 Cb 0.81 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.55 1ib1 h TYR 118 CO -0.04 0.28 -0.72 1.25 -1.05 0.00 0.00 178.16 177.88 1ib1 h LEU 119 N 0.00 0.71 -0.40 3.88 5.85 -1.12 -0.56 115.31 123.67 1ib1 h LEU 119 Ca -0.00 -0.45 -0.10 0.00 0.84 0.00 0.00 57.88 58.17 1ib1 h LEU 119 Cb 0.56 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1ib1 h LEU 119 CO 0.04 1.22 -0.14 0.50 -0.34 0.00 0.00 178.44 179.71 1ib1 h LYS 120 N 0.42 0.79 -0.12 1.25 3.64 -0.58 -1.12 116.57 120.86 1ib1 h LYS 120 Ca -0.03 -0.32 -0.03 0.00 -1.27 0.00 0.00 60.65 58.99 1ib1 h LYS 120 Cb 1.32 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1ib1 h LYS 120 CO 0.14 0.94 -0.07 1.98 -2.27 0.00 0.00 179.45 180.18 1ib1 h MET 121 N 0.60 0.18 -0.27 1.90 4.05 -0.98 0.35 114.93 120.76 1ib1 h MET 121 Ca 0.09 -0.03 -0.18 0.00 -0.28 0.00 0.00 59.70 59.30 1ib1 h MET 121 Cb 0.68 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.45 1ib1 h MET 121 CO 0.05 0.26 -0.55 -0.22 0.23 0.00 0.00 176.91 176.68 1ib1 h LYS 122 N 0.18 0.85 -0.34 0.39 3.64 -0.60 -1.98 116.57 118.69 1ib1 h LYS 122 Ca 0.04 -0.55 -0.11 0.00 -1.27 0.00 0.00 60.65 58.76 1ib1 h LYS 122 Cb 0.24 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1ib1 h LYS 122 CO 0.01 1.18 -0.26 0.78 -2.27 0.00 0.00 179.45 178.90 1ib1 h GLY 123 N 0.62 0.74 0.82 5.01 0.00 -0.16 -2.72 103.07 107.39 1ib1 h GLY 123 Ca 0.01 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 1ib1 h GLY 123 CO 0.12 0.59 -0.28 -0.55 0.00 0.00 0.00 176.54 176.42 1ib1 h ASP 124 N 0.60 -0.73 0.30 0.19 3.32 -0.12 -1.41 116.42 118.58 1ib1 h ASP 124 Ca 0.08 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 1ib1 h ASP 124 Cb 0.75 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 1ib1 h ASP 124 CO 0.06 -0.44 -0.34 1.88 -1.72 0.00 0.00 179.24 178.69 1ib1 h TYR 125 N -0.68 0.07 0.00 4.55 -1.99 -1.38 -1.05 116.97 116.49 1ib1 h TYR 125 Ca -0.04 -0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.58 1ib1 h TYR 125 Cb 0.57 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.27 1ib1 h TYR 125 CO -0.12 0.39 -0.47 1.88 -0.00 0.00 0.00 178.16 179.84 1ib1 h TYR 126 N 0.05 0.00 -0.23 4.88 0.05 -1.36 -0.61 116.97 119.75 1ib1 h TYR 126 Ca 0.01 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.69 1ib1 h TYR 126 Cb 0.63 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.36 1ib1 h TYR 126 CO 0.00 0.47 -0.24 -0.09 -1.05 0.00 0.00 178.16 177.26 1ib1 h ARG 127 N 0.00 0.57 -0.70 4.88 2.43 -0.09 0.33 114.38 121.80 1ib1 h ARG 127 Ca -0.00 -0.30 -0.03 0.00 -0.81 0.00 0.00 59.98 58.83 1ib1 h ARG 127 Cb 0.93 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 1ib1 h ARG 127 CO 0.06 0.89 0.30 1.88 -1.51 0.00 0.00 179.97 181.60 1ib1 h TYR 128 N 0.27 1.04 -0.41 2.20 0.05 -1.02 0.90 116.97 119.99 1ib1 h TYR 128 Ca 0.04 -0.07 -0.05 0.00 0.05 0.00 0.00 58.73 58.70 1ib1 h TYR 128 Cb 0.79 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 1ib1 h TYR 128 CO 0.08 0.79 0.04 1.25 -1.05 0.00 0.00 178.16 179.27 1ib1 h LEU 129 N 0.99 0.60 -0.97 3.88 5.85 -0.88 -2.22 115.31 122.56 1ib1 h LEU 129 Ca 0.24 -0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.73 1ib1 h LEU 129 Cb 0.17 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1ib1 h LEU 129 CO -0.02 0.64 -0.51 0.00 -0.34 0.00 0.00 178.44 178.21 1ib1 h ALA 130 N 1.43 1.15 0.00 1.25 0.00 0.12 -2.63 119.26 120.58 1ib1 h ALA 130 Ca 0.13 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1ib1 h ALA 130 Cb 0.33 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ib1 h ALA 130 CO 0.01 0.64 -0.05 0.93 0.00 0.00 0.00 179.25 180.77 1ib1 h GLU 131 N 0.02 0.00 -0.15 0.00 5.08 -0.24 -2.37 114.58 116.92 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 0.07 0.05 0.00 1.33 -1.00 0.00 0.00 179.01 179.46 1ib1 n VAL 132 N -3.70 0.85 -1.67 3.13 0.24 -1.13 -5.06 118.33 110.99 1ib1 n VAL 132 Ca -0.02 -0.92 -0.47 0.00 -2.04 0.00 0.00 64.34 60.88 1ib1 n VAL 132 Cb 0.15 0.59 -0.04 0.00 -1.47 0.00 0.00 33.84 33.07 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 0.05 1.07 -2.65 2.33 0.00 -0.89 -4.95 120.51 115.47 1ib1 n ALA 133 Ca 0.05 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.48 1ib1 n ALA 133 Cb 0.31 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.36 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 1.64 3.02 0.00 0.00 0.00 -1.26 -4.71 121.76 120.44 1ib1 s ALA 134 Ca 0.83 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1ib1 s ALA 134 Cb -0.71 -3.95 0.00 0.00 0.00 0.00 0.00 23.12 18.46 1ib1 s ALA 134 CO 0.42 -2.74 0.00 0.41 0.00 0.00 0.00 175.76 173.85 1ib1 n GLY 135 N 5.21 1.86 0.17 0.00 0.00 -1.26 -1.72 105.19 109.44 1ib1 n GLY 135 Ca 0.03 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1ib1 n GLY 135 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ib1 h ASP 136 N 0.00 0.03 -0.26 1.61 1.82 -2.05 -2.67 116.42 114.90 1ib1 h ASP 136 Ca 0.00 -0.01 0.08 0.00 -0.39 0.00 0.00 57.03 56.70 1ib1 h ASP 136 Cb 0.00 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 39.99 1ib1 h ASP 136 CO 0.00 0.51 0.22 0.44 -1.61 0.00 0.00 179.24 178.79 1ib1 h ASP 137 N 0.02 0.00 -0.17 2.28 5.19 -1.71 -3.06 116.42 118.97 1ib1 h ASP 137 Ca -0.00 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.45 1ib1 h ASP 137 Cb 0.86 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.33 1ib1 h ASP 137 CO 0.06 0.00 -0.10 0.50 -3.12 0.00 0.00 179.24 176.58 1ib1 h LYS 138 N 0.00 -0.10 -0.44 3.56 3.64 -1.58 -3.10 116.57 118.56 1ib1 h LYS 138 Ca 0.12 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1ib1 h LYS 138 Cb 0.56 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1ib1 h LYS 138 CO -0.00 -0.06 0.24 -0.22 -2.27 0.00 0.00 179.45 177.14 1ib1 h LYS 139 N -0.10 0.59 -0.10 1.90 3.64 -1.73 0.36 116.57 121.13 1ib1 h LYS 139 Ca 0.10 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1ib1 h LYS 139 Cb 0.25 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1ib1 h LYS 139 CO -0.23 0.43 0.03 0.78 -2.27 0.00 0.00 179.45 178.18 1ib1 h GLY 140 N 0.67 0.17 0.93 5.01 0.00 -1.71 -1.99 103.07 106.14 1ib1 h GLY 140 Ca 0.16 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.40 1ib1 h GLY 140 CO -0.03 0.10 0.26 -2.22 0.00 0.00 0.00 176.54 174.65 1ib1 h ILE 141 N -0.05 1.06 0.00 2.60 2.04 -1.37 -1.58 117.51 120.22 1ib1 h ILE 141 Ca 0.03 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1ib1 h ILE 141 Cb 0.24 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1ib1 h ILE 141 CO 0.00 0.10 -0.08 0.58 0.00 0.00 0.00 178.15 178.74 1ib1 h VAL 142 N 0.52 0.60 0.07 1.67 2.07 -0.87 -1.30 116.25 119.02 1ib1 h VAL 142 Ca 0.16 -0.36 -0.17 0.00 0.82 0.00 0.00 66.70 67.16 1ib1 h VAL 142 Cb -0.01 1.22 0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1ib1 h VAL 142 CO -0.06 0.08 -0.71 0.44 0.02 0.00 0.00 177.57 177.34 1ib1 h ASP 143 N 0.00 0.50 -0.81 0.57 3.45 -0.56 -2.72 116.42 116.85 1ib1 h ASP 143 Ca -0.00 -0.86 0.10 0.00 0.43 0.00 0.00 57.03 56.70 1ib1 h ASP 143 Cb 0.22 -0.16 -0.08 0.00 -0.56 0.00 0.00 39.33 38.76 1ib1 h ASP 143 CO 0.01 1.31 0.45 1.56 -1.57 0.00 0.00 179.24 180.99 1ib1 h GLN 144 N -0.25 0.71 0.22 3.56 1.08 -0.73 -0.40 115.11 119.30 1ib1 h GLN 144 Ca -0.11 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.04 1ib1 h GLN 144 Cb 1.48 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.75 1ib1 h GLN 144 CO 0.14 0.47 -0.11 1.03 -0.95 0.00 0.00 178.83 179.41 1ib1 h SER 145 N 0.74 -0.25 -0.87 1.46 0.87 -1.32 -2.86 113.55 111.31 1ib1 h SER 145 Ca 0.40 -0.16 0.06 0.00 -1.23 0.00 0.00 61.79 60.86 1ib1 h SER 145 Cb 0.40 0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 62.37 1ib1 h SER 145 CO -0.27 0.03 0.57 -0.61 -0.53 0.00 0.00 176.83 176.02 1ib1 h GLN 146 N -0.54 0.96 -0.10 2.24 4.15 -1.12 -1.35 115.11 119.36 1ib1 h GLN 146 Ca -0.03 -0.06 -0.15 0.00 0.77 0.00 0.00 58.65 59.18 1ib1 h GLN 146 Cb 0.40 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1ib1 h GLN 146 CO 0.05 0.64 -0.60 1.96 -1.93 0.00 0.00 178.83 178.95 1ib1 h GLN 147 N 0.99 0.33 -0.09 1.69 4.20 -1.08 0.16 115.11 121.30 1ib1 h GLN 147 Ca 0.37 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 1ib1 h GLN 147 Cb 0.19 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1ib1 h GLN 147 CO -0.13 0.83 -0.17 0.00 -0.67 0.00 0.00 178.83 178.69 1ib1 h ALA 148 N 1.12 0.14 -0.35 3.87 0.00 -1.21 -2.19 119.26 120.64 1ib1 h ALA 148 Ca -0.01 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1ib1 h ALA 148 Cb 1.12 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1ib1 h ALA 148 CO 0.10 0.06 0.20 1.88 0.00 0.00 0.00 179.25 181.48 1ib1 h TYR 149 N -0.18 0.36 -0.58 0.00 0.05 -1.17 -1.52 116.97 113.94 1ib1 h TYR 149 Ca 0.00 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 1ib1 h TYR 149 Cb 0.75 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.35 1ib1 h TYR 149 CO 0.11 0.21 0.32 0.37 -1.05 0.00 0.00 178.16 178.11 1ib1 h GLN 150 N 0.40 0.81 -0.68 4.88 5.75 -0.71 -0.20 115.11 125.36 1ib1 h GLN 150 Ca 0.14 -0.09 -0.05 0.00 -0.15 0.00 0.00 58.65 58.50 1ib1 h GLN 150 Cb 0.02 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.39 1ib1 h GLN 150 CO -0.08 0.62 0.24 1.49 -2.65 0.00 0.00 178.83 178.44 1ib1 h GLU 151 N 0.78 1.04 -0.59 1.69 4.81 -1.06 0.20 114.58 121.45 1ib1 h GLU 151 Ca 0.20 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1ib1 h GLU 151 Cb 0.04 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1ib1 h GLU 151 CO -0.03 0.88 0.32 0.00 -0.73 0.00 0.00 179.01 179.46 1ib1 h ALA 152 N 1.10 0.75 -0.71 2.92 0.00 -0.96 -1.62 119.26 120.75 1ib1 h ALA 152 Ca 0.22 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1ib1 h ALA 152 Cb 0.26 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1ib1 h ALA 152 CO -0.01 0.27 0.34 0.35 0.00 0.00 0.00 179.25 180.19 1ib1 h PHE 153 N 0.79 1.04 0.52 0.00 3.57 -0.58 0.16 116.94 122.44 1ib1 h PHE 153 Ca 0.21 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1ib1 h PHE 153 Cb 0.04 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 1ib1 h PHE 153 CO -0.01 0.77 -0.38 1.49 -2.23 0.00 0.00 178.31 177.95 1ib1 h GLU 154 N 1.00 -0.85 -0.81 1.11 4.57 -0.47 -1.31 114.58 117.83 1ib1 h GLU 154 Ca 0.24 0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.47 1ib1 h GLU 154 Cb 0.13 0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.87 1ib1 h GLU 154 CO -0.03 -0.56 0.45 0.82 -1.18 0.00 0.00 179.01 178.51 1ib1 h ILE 155 N -0.88 1.24 -0.21 2.32 2.04 -1.15 -2.93 117.51 117.94 1ib1 h ILE 155 Ca -0.06 -0.57 0.05 0.00 1.00 0.00 0.00 64.86 65.27 1ib1 h ILE 155 Cb 0.74 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1ib1 h ILE 155 CO 0.02 0.26 -0.08 0.28 0.00 0.00 0.00 178.15 178.63 1ib1 h SER 156 N 1.13 -0.28 -0.61 1.72 0.02 -0.39 0.14 113.55 115.29 1ib1 h SER 156 Ca 0.29 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1ib1 h SER 156 Cb 0.01 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 1ib1 h SER 156 CO -0.05 -0.11 0.37 0.11 -1.14 0.00 0.00 176.83 176.02 1ib1 h LYS 157 N -0.05 0.83 0.12 3.45 1.57 -1.06 -0.90 116.57 120.53 1ib1 h LYS 157 Ca 0.11 -0.07 -0.18 0.00 -1.87 0.00 0.00 60.65 58.64 1ib1 h LYS 157 Cb 0.21 -0.18 0.02 0.00 0.08 0.00 0.00 32.23 32.36 1ib1 h LYS 157 CO -0.24 0.58 -0.77 0.87 -0.57 0.00 0.00 179.45 179.32 1ib1 h LYS 158 N 0.85 0.31 -0.02 3.15 1.57 -1.26 -3.40 116.57 117.77 1ib1 h LYS 158 Ca 0.22 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1ib1 h LYS 158 Cb -0.04 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1ib1 h LYS 158 CO -0.04 1.22 0.00 0.39 -0.57 0.00 0.00 179.45 180.45 1ib1 n GLU 159 N -4.15 1.20 -4.39 3.15 4.71 0.42 -5.01 120.64 116.57 1ib1 n GLU 159 Ca -0.13 -1.44 -0.22 0.00 -0.01 0.00 0.00 57.16 55.35 1ib1 n GLU 159 Cb 0.80 -1.30 -0.13 0.00 -1.01 0.00 0.00 31.44 29.79 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 -1.32 1.07 0.48 3.49 -1.94 -0.35 -4.98 119.30 115.76 1ib1 s MET 160 Ca 0.18 -0.90 -0.21 0.00 -1.71 0.00 0.00 55.69 53.05 1ib1 s MET 160 Cb 0.13 -1.15 -0.07 0.00 2.01 0.00 0.00 34.83 35.75 1ib1 s MET 160 CO 0.20 0.28 1.12 -0.65 -0.01 0.00 0.00 175.02 175.96 1ib1 s GLN 161 N -1.37 3.67 0.49 2.03 -0.21 -1.26 -4.70 119.66 118.31 1ib1 s GLN 161 Ca 0.03 1.63 0.26 0.00 0.02 0.00 0.00 55.36 57.30 1ib1 s GLN 161 Cb -0.09 -2.24 1.32 0.00 1.00 0.00 0.00 33.01 33.00 1ib1 s GLN 161 CO 0.02 -0.59 1.87 -1.35 -2.12 0.00 0.00 175.29 173.13 1ib1 h PRO 162 N 1.74 0.16 -0.04 2.91 0.11 -1.93 0.50 132.00 135.45 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 32.32 1ib1 h PRO 162 CO 0.59 0.10 0.00 0.25 -0.21 0.00 0.00 178.00 178.73 1ib1 n THR 163 N -4.38 0.04 -1.93 -1.15 -2.24 -1.26 -4.51 114.28 98.85 1ib1 n THR 163 Ca 0.19 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 1ib1 n THR 163 Cb 0.86 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 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 -1.96 3.04 0.48 4.78 5.04 0.16 -4.57 115.29 122.26 1ib1 s HIS 164 Ca 0.39 0.67 0.22 0.00 -1.54 0.00 0.00 55.06 54.79 1ib1 s HIS 164 Cb 0.20 -3.93 1.24 0.00 0.04 0.00 0.00 32.58 30.13 1ib1 s HIS 164 CO 0.32 -3.36 1.93 -1.35 -2.34 0.00 0.00 174.74 169.94 1ib1 h PRO 165 N 6.53 0.21 0.20 2.88 0.11 -1.91 0.58 132.00 140.59 1ib1 h PRO 165 Ca -0.43 -0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.35 1ib1 h PRO 165 Cb 1.21 -0.05 0.02 0.00 0.11 0.00 0.00 31.00 32.29 1ib1 h PRO 165 CO 0.90 0.14 -1.42 0.82 -0.21 0.00 0.00 178.00 178.22 1ib1 h ILE 166 N 0.21 1.33 -0.20 4.15 2.04 -1.96 -1.15 117.51 121.93 1ib1 h ILE 166 Ca 0.35 -2.82 -0.03 0.00 1.00 0.00 0.00 64.86 63.37 1ib1 h ILE 166 Cb 1.08 2.98 -0.01 0.00 -0.74 0.00 0.00 36.82 40.14 1ib1 h ILE 166 CO -0.07 0.84 0.03 -0.09 0.00 0.00 0.00 178.15 178.86 1ib1 h ARG 167 N 0.12 0.33 -0.71 2.37 2.43 -1.63 -2.32 114.38 114.97 1ib1 h ARG 167 Ca -0.22 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 58.79 1ib1 h ARG 167 Cb 2.10 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 31.58 1ib1 h ARG 167 CO 0.24 0.50 0.19 -0.07 -1.51 0.00 0.00 179.97 179.32 1ib1 h LEU 168 N 0.12 1.06 -0.69 3.80 4.07 -1.01 -2.20 115.31 120.46 1ib1 h LEU 168 Ca 0.06 -0.22 0.01 0.00 0.08 0.00 0.00 57.88 57.80 1ib1 h LEU 168 Cb 0.33 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.76 1ib1 h LEU 168 CO 0.00 1.01 0.45 1.23 -1.08 0.00 0.00 178.44 180.05 1ib1 h GLY 169 N 1.06 0.97 1.04 0.83 0.00 -1.07 -1.78 103.07 104.13 1ib1 h GLY 169 Ca 0.23 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1ib1 h GLY 169 CO -0.00 0.36 0.46 -2.00 0.00 0.00 0.00 176.54 175.36 1ib1 h LEU 170 N 0.93 1.13 -0.29 3.11 5.85 -1.18 -2.06 115.31 122.82 1ib1 h LEU 170 Ca 0.25 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.90 1ib1 h LEU 170 Cb -0.10 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.60 1ib1 h LEU 170 CO -0.05 0.93 0.00 0.00 -0.34 0.00 0.00 178.44 178.97 1ib1 h ALA 171 N 1.25 0.26 0.69 1.25 0.00 -0.71 0.17 119.26 122.16 1ib1 h ALA 171 Ca 0.31 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 1ib1 h ALA 171 Cb 0.07 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ib1 h ALA 171 CO -0.04 -0.41 -0.33 1.25 0.00 0.00 0.00 179.25 179.72 1ib1 h LEU 172 N 0.09 -0.78 -0.91 0.00 5.85 -1.03 -0.57 115.31 117.95 1ib1 h LEU 172 Ca 0.14 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1ib1 h LEU 172 Cb 0.18 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1ib1 h LEU 172 CO -0.23 -0.56 0.32 0.78 -0.34 0.00 0.00 178.44 178.42 1ib1 h ASN 173 N -0.92 1.02 -0.39 1.25 4.21 -1.26 -1.80 115.58 117.68 1ib1 h ASN 173 Ca -0.09 -0.14 -0.12 0.00 1.21 0.00 0.00 56.30 57.16 1ib1 h ASN 173 Cb 0.71 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.63 1ib1 h ASN 173 CO 0.15 0.89 -0.18 0.15 -1.29 0.00 0.00 177.43 177.15 1ib1 h PHE 174 N 1.09 0.99 -0.17 1.19 3.57 -0.59 -0.67 116.94 122.35 1ib1 h PHE 174 Ca 0.26 -0.22 -0.14 0.00 3.53 0.00 0.00 57.97 61.40 1ib1 h PHE 174 Cb 0.17 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1ib1 h PHE 174 CO 0.02 0.98 -0.48 0.66 -2.23 0.00 0.00 178.31 177.26 1ib1 h SER 175 N 0.77 0.49 -0.02 0.41 4.64 -0.81 -2.19 113.55 116.84 1ib1 h SER 175 Ca 0.11 -0.24 -0.10 0.00 -0.47 0.00 0.00 61.79 61.09 1ib1 h SER 175 Cb 0.71 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1ib1 h SER 175 CO 0.05 0.89 -0.30 0.58 -0.87 0.00 0.00 176.83 177.19 1ib1 h VAL 176 N 0.36 1.28 -0.28 0.95 2.07 -1.05 0.69 116.25 120.26 1ib1 h VAL 176 Ca 0.02 -1.35 0.01 0.00 0.82 0.00 0.00 66.70 66.20 1ib1 h VAL 176 Cb 0.98 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 1ib1 h VAL 176 CO 0.09 0.42 0.17 0.15 0.02 0.00 0.00 177.57 178.42 1ib1 h PHE 177 N 0.41 0.31 -0.55 1.57 3.57 -0.72 -0.12 116.94 121.42 1ib1 h PHE 177 Ca 0.05 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 1ib1 h PHE 177 Cb 0.73 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1ib1 h PHE 177 CO 0.02 0.19 0.16 1.88 -2.23 0.00 0.00 178.31 178.34 1ib1 h TYR 178 N 0.34 0.89 0.29 0.41 0.05 -1.04 -0.48 116.97 117.43 1ib1 h TYR 178 Ca 0.11 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1ib1 h TYR 178 Cb -0.01 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.47 1ib1 h TYR 178 CO -0.07 0.76 -0.14 -0.92 -1.05 0.00 0.00 178.16 176.73 1ib1 h TYR 179 N 0.77 -0.37 0.00 4.88 3.20 -0.29 0.79 116.97 125.94 1ib1 h TYR 179 Ca 0.18 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.88 1ib1 h TYR 179 Cb 0.29 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 1ib1 h TYR 179 CO 0.02 -0.09 -2.02 -0.85 -1.64 0.00 0.00 178.16 173.57 1ib1 n GLU 180 N -5.17 0.86 0.00 1.82 0.28 -0.11 -3.10 120.64 115.23 1ib1 n GLU 180 Ca -0.10 -0.09 -0.14 0.00 -0.16 0.00 0.00 57.16 56.67 1ib1 n GLU 180 Cb 0.24 -1.45 -0.14 0.00 1.43 0.00 0.00 31.44 31.52 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 -1.25 -3.39 117.51 118.63 1ib1 h ILE 181 Ca -0.23 -2.61 0.00 0.00 -0.39 0.00 0.00 64.86 61.62 1ib1 h ILE 181 Cb 1.46 2.51 0.00 0.00 -3.07 0.00 0.00 36.82 37.72 1ib1 h ILE 181 CO 0.01 0.69 -1.17 0.18 -0.69 0.00 0.00 178.15 177.16 1ib1 n LEU 182 N -3.26 0.45 -3.42 1.44 4.32 -0.58 -5.02 117.00 110.94 1ib1 n LEU 182 Ca -0.21 -0.30 -0.19 0.00 -0.02 0.00 0.00 56.01 55.30 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 0.11 0.02 0.59 -1.22 0.00 0.00 177.39 177.35 1ib1 n ASN 183 N -1.67 -4.47 -3.43 -1.43 3.02 -0.62 -4.97 115.26 101.69 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 0.33 -4.80 -0.09 0.00 -0.61 0.00 0.00 39.78 34.61 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 -3.11 1.14 -0.07 6.41 7.64 0.17 -4.99 113.62 120.82 1ib1 n SER 184 Ca -0.16 -2.82 -0.07 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 63.19 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 4.80 -0.14 -0.09 1.43 0.11 -1.82 -0.50 132.00 135.79 1ib1 h PRO 185 Ca 0.17 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.32 1ib1 h PRO 185 Cb 0.83 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.93 1ib1 h PRO 185 CO 0.55 -0.09 -0.10 1.05 -0.21 0.00 0.00 178.00 179.19 1ib1 h GLU 186 N -0.15 -0.12 -0.44 1.05 9.09 -1.96 0.17 114.58 122.22 1ib1 h GLU 186 Ca 0.16 0.01 -0.08 0.00 0.05 0.00 0.00 59.36 59.49 1ib1 h GLU 186 Cb 0.39 0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.49 1ib1 h GLU 186 CO -0.39 -0.08 -0.06 0.87 0.05 0.00 0.00 179.01 179.40 1ib1 h LYS 187 N -0.13 0.76 -0.27 1.06 1.57 -1.93 -1.15 116.57 116.48 1ib1 h LYS 187 Ca 0.07 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1ib1 h LYS 187 Cb 0.23 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1ib1 h LYS 187 CO -0.17 0.81 0.17 0.00 -0.57 0.00 0.00 179.45 179.69 1ib1 h ALA 188 N 1.23 0.34 -0.28 3.86 0.00 -0.49 -1.28 119.26 122.63 1ib1 h ALA 188 Ca 0.13 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1ib1 h ALA 188 Cb 0.52 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1ib1 h ALA 188 CO 0.03 -0.19 -0.28 0.00 0.00 0.00 0.00 179.25 178.81 1ib1 h SER 190 N 0.50 -0.15 -0.17 0.00 0.02 -0.76 0.19 113.55 113.17 1ib1 h SER 190 Ca 0.07 -0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1ib1 h SER 190 Cb 0.74 0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.25 1ib1 h SER 190 CO 0.06 -0.10 -0.32 0.25 -1.14 0.00 0.00 176.83 175.58 1ib1 h LEU 191 N -0.19 -0.99 -0.05 5.07 7.12 -1.15 0.58 115.31 125.69 1ib1 h LEU 191 Ca -0.02 0.15 -0.00 0.00 0.13 0.00 0.00 57.88 58.14 1ib1 h LEU 191 Cb 0.15 0.43 -0.00 0.00 -0.53 0.00 0.00 40.66 40.70 1ib1 h LEU 191 CO 0.03 -0.35 0.02 0.00 -0.13 0.00 0.00 178.44 178.01 1ib1 h ALA 192 N 0.48 0.07 -0.36 1.25 0.00 -1.34 -2.26 119.26 117.10 1ib1 h ALA 192 Ca 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1ib1 h ALA 192 Cb 0.54 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1ib1 h ALA 192 CO -0.38 -0.35 0.16 -0.22 0.00 0.00 0.00 179.25 178.47 1ib1 h LYS 193 N -0.07 0.53 -0.07 0.00 3.64 -0.35 -1.29 116.57 118.96 1ib1 h LYS 193 Ca 0.02 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1ib1 h LYS 193 Cb 0.16 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1ib1 h LYS 193 CO -0.00 0.49 -0.06 1.15 -2.27 0.00 0.00 179.45 178.76 1ib1 h THR 194 N 0.44 0.83 -0.43 1.00 2.02 -0.91 0.98 112.91 116.84 1ib1 h THR 194 Ca 0.12 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.36 1ib1 h THR 194 Cb 0.15 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 1ib1 h THR 194 CO -0.01 0.00 0.15 0.00 0.37 0.00 0.00 175.52 176.03 1ib1 h ALA 195 N 0.99 0.51 0.00 6.16 0.00 -1.23 0.61 119.26 126.31 1ib1 h ALA 195 Ca 0.05 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ib1 h ALA 195 Cb 0.14 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ib1 h ALA 195 CO -0.11 -0.24 -0.00 0.35 0.00 0.00 0.00 179.25 179.25 1ib1 h PHE 196 N 0.32 -0.00 -0.72 0.00 3.57 -0.95 -2.00 116.94 117.15 1ib1 h PHE 196 Ca 0.20 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1ib1 h PHE 196 Cb 0.19 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 1ib1 h PHE 196 CO -0.15 0.18 0.42 -0.44 -2.23 0.00 0.00 178.31 176.08 1ib1 h ASP 197 N -0.18 0.88 -0.49 0.41 3.45 -0.50 -0.03 116.42 119.96 1ib1 h ASP 197 Ca -0.00 -0.08 -0.08 0.00 0.43 0.00 0.00 57.03 57.30 1ib1 h ASP 197 Cb 0.18 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.70 1ib1 h ASP 197 CO 0.00 0.70 0.01 -0.33 -1.57 0.00 0.00 179.24 178.05 1ib1 h GLU 198 N 0.99 0.92 -0.38 3.56 5.08 -0.86 0.78 114.58 124.67 1ib1 h GLU 198 Ca 0.26 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1ib1 h GLU 198 Cb -0.00 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1ib1 h GLU 198 CO -0.05 0.90 0.04 0.00 -1.00 0.00 0.00 179.01 178.91 1ib1 h ALA 199 N 1.15 0.50 -0.89 3.43 0.00 -0.94 -1.99 119.26 120.52 1ib1 h ALA 199 Ca 0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1ib1 h ALA 199 Cb 0.49 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1ib1 h ALA 199 CO 0.02 0.23 0.49 0.82 0.00 0.00 0.00 179.25 180.81 1ib1 h ILE 200 N 0.47 1.26 0.02 0.00 1.08 -0.64 -1.85 117.51 117.84 1ib1 h ILE 200 Ca 0.11 -0.64 0.01 0.00 -0.39 0.00 0.00 64.86 63.95 1ib1 h ILE 200 Cb 0.40 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.19 1ib1 h ILE 200 CO 0.01 0.29 -0.06 0.00 -0.69 0.00 0.00 178.15 177.71 1ib1 h ALA 201 N 1.28 -0.07 -0.84 1.87 0.00 -0.57 -1.10 119.26 119.83 1ib1 h ALA 201 Ca 0.31 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1ib1 h ALA 201 Cb 0.03 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1ib1 h ALA 201 CO -0.05 -0.56 0.44 1.49 0.00 0.00 0.00 179.25 180.57 1ib1 h GLU 202 N -0.11 1.18 -0.08 0.00 4.81 -1.10 -1.43 114.58 117.84 1ib1 h GLU 202 Ca 0.02 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 1ib1 h GLU 202 Cb 0.13 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1ib1 h GLU 202 CO -0.05 0.88 -0.23 -0.07 -0.73 0.00 0.00 179.01 178.81 1ib1 h LEU 203 N 1.18 0.14 -0.40 1.64 3.38 -1.10 -3.10 115.31 117.05 1ib1 h LEU 203 Ca 0.29 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1ib1 h LEU 203 Cb 0.06 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1ib1 h LEU 203 CO -0.04 0.38 0.21 0.44 0.09 0.00 0.00 178.44 179.52 1ib1 h ASP 204 N 0.13 0.50 0.08 -0.43 3.32 -0.08 -2.94 116.42 117.00 1ib1 h ASP 204 Ca 0.02 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1ib1 h ASP 204 Cb 0.49 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1ib1 h ASP 204 CO 0.03 0.45 0.00 0.35 -1.72 0.00 0.00 179.24 178.35 1ib1 n THR 205 N -4.73 1.22 -3.51 0.35 -2.24 -1.11 -4.84 114.28 99.42 1ib1 n THR 205 Ca 0.00 0.30 -0.18 0.00 -2.27 0.00 0.00 64.05 61.90 1ib1 n THR 205 Cb 0.08 -1.25 0.07 0.00 -2.10 0.00 0.00 70.33 67.14 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 -1.34 -3.75 -4.73 3.22 4.32 -1.11 -4.94 117.00 108.66 1ib1 n LEU 206 Ca 0.01 -0.68 -0.41 0.00 -0.02 0.00 0.00 56.01 54.92 1ib1 n LEU 206 Cb 0.03 -2.99 -0.05 0.00 -1.62 0.00 0.00 43.42 38.80 1ib1 n LEU 206 CO 0.03 0.39 0.59 -0.94 -1.22 0.00 0.00 177.39 176.24 1ib1 s SER 207 N -4.35 7.39 0.00 -1.43 1.04 -1.26 -4.90 113.70 110.19 1ib1 s SER 207 Ca 0.01 1.66 0.00 0.00 0.48 0.00 0.00 55.95 58.10 1ib1 s SER 207 Cb -0.00 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1ib1 s SER 207 CO 0.75 -0.04 0.77 -0.62 0.98 0.00 0.00 173.24 175.08 1ib1 n GLU 208 N 2.83 0.88 0.00 4.02 -0.58 -1.26 -2.57 120.64 123.96 1ib1 n GLU 208 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1ib1 n GLU 208 Cb 0.50 -1.15 0.00 0.00 -0.57 0.00 0.00 31.44 30.21 1ib1 n GLU 208 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1ib1 n GLU 209 N 0.43 2.53 -0.68 3.49 4.07 -1.26 -5.09 120.64 124.14 1ib1 n GLU 209 Ca 0.00 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.79 1ib1 n GLU 209 Cb 0.39 -0.79 0.17 0.00 -0.06 0.00 0.00 31.44 31.15 1ib1 n GLU 209 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1ib1 n SER 210 N -0.87 -1.41 -0.10 4.31 7.64 -1.06 -5.00 113.62 117.12 1ib1 n SER 210 Ca 0.00 0.18 -0.22 0.00 1.01 0.00 0.00 58.87 59.84 1ib1 n SER 210 Cb 0.00 -1.24 -0.12 0.00 -1.01 0.00 0.00 64.21 61.84 1ib1 n SER 210 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1ib1 n TYR 211 N -4.20 0.98 -0.59 1.43 4.02 -1.26 -4.94 117.16 112.59 1ib1 n TYR 211 Ca 0.06 0.42 -0.00 0.00 -0.01 0.00 0.00 57.90 58.36 1ib1 n TYR 211 Cb 0.55 -1.10 -0.00 0.00 -0.02 0.00 0.00 39.34 38.77 1ib1 n TYR 211 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 1ib1 n LYS 212 N -4.40 -1.98 -0.01 -0.72 0.00 -1.26 -4.67 118.16 105.13 1ib1 n LYS 212 Ca -0.33 0.30 0.01 0.00 -0.00 0.00 0.00 58.31 58.29 1ib1 n LYS 212 Cb 0.70 -3.96 -0.12 0.00 -0.00 0.00 0.00 35.03 31.65 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 0.69 0.39 -1.74 -5.58 8.00 -1.26 -4.35 116.55 112.69 1ib1 n ASP 213 Ca -0.00 0.17 -0.04 0.00 0.71 0.00 0.00 54.79 55.62 1ib1 n ASP 213 Cb 0.29 0.93 0.25 0.00 -0.02 0.00 0.00 41.12 42.56 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 -2.66 4.26 -0.22 -2.24 3.41 -1.26 -4.64 113.62 110.26 1ib1 n SER 214 Ca -0.13 -2.94 0.03 0.00 -0.26 0.00 0.00 58.87 55.56 1ib1 n SER 214 Cb 0.82 -0.70 0.13 0.00 -0.26 0.00 0.00 64.21 64.21 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 2.17 0.51 -0.13 6.66 2.02 -1.95 -2.16 112.91 120.04 1ib1 h THR 215 Ca 0.20 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.33 1ib1 h THR 215 Cb 1.99 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 1ib1 h THR 215 CO 0.58 0.03 0.03 0.25 0.37 0.00 0.00 175.52 176.79 1ib1 h LEU 216 N 0.19 0.03 -2.41 2.58 5.85 -1.96 -0.73 115.31 118.85 1ib1 h LEU 216 Ca 0.36 0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.11 1ib1 h LEU 216 Cb 0.59 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1ib1 h LEU 216 CO -0.51 0.03 0.04 0.40 -0.34 0.00 0.00 178.44 178.07 1ib1 h ILE 217 N 0.09 0.52 0.23 4.05 2.04 -1.77 0.14 117.51 122.81 1ib1 h ILE 217 Ca 0.05 0.00 -0.31 0.00 1.00 0.00 0.00 64.86 65.60 1ib1 h ILE 217 Cb 0.04 0.96 0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1ib1 h ILE 217 CO -0.07 0.00 -1.41 0.24 0.00 0.00 0.00 178.15 176.91 1ib1 h MET 218 N 0.00 0.48 -0.81 2.37 2.86 -0.94 -2.08 114.93 116.81 1ib1 h MET 218 Ca 0.02 -0.82 -0.03 0.00 -2.06 0.00 0.00 59.70 56.81 1ib1 h MET 218 Cb 0.11 0.30 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 1ib1 h MET 218 CO -0.00 1.39 0.38 1.96 1.06 0.00 0.00 176.91 181.70 1ib1 h GLN 219 N 0.04 1.18 -0.83 1.72 1.08 0.23 -0.78 115.11 117.75 1ib1 h GLN 219 Ca -0.25 -0.18 0.02 0.00 -1.45 0.00 0.00 58.65 56.79 1ib1 h GLN 219 Cb 2.07 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 29.24 1ib1 h GLN 219 CO 0.24 0.91 0.54 -0.07 -0.95 0.00 0.00 178.83 179.50 1ib1 h LEU 220 N 1.16 0.92 -0.33 1.46 4.07 -0.82 0.56 115.31 122.33 1ib1 h LEU 220 Ca 0.28 -0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.19 1ib1 h LEU 220 Cb 0.13 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 1ib1 h LEU 220 CO -0.03 0.65 0.07 -0.07 -1.08 0.00 0.00 178.44 177.98 1ib1 h LEU 221 N 1.08 0.51 -0.74 1.67 3.38 -0.62 -2.31 115.31 118.28 1ib1 h LEU 221 Ca 0.32 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 1ib1 h LEU 221 Cb -0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1ib1 h LEU 221 CO -0.09 0.61 -0.41 0.08 0.09 0.00 0.00 178.44 178.73 1ib1 h ARG 222 N 0.38 0.48 -0.57 1.13 0.11 -0.69 -2.02 114.38 113.19 1ib1 h ARG 222 Ca 0.10 -0.24 0.00 0.00 0.10 0.00 0.00 59.98 59.94 1ib1 h ARG 222 Cb 0.31 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.36 1ib1 h ARG 222 CO 0.00 0.81 0.36 -0.44 0.10 0.00 0.00 179.97 180.80 1ib1 h ASP 223 N 0.40 0.67 -0.82 0.08 5.19 -0.78 0.19 116.42 121.35 1ib1 h ASP 223 Ca 0.03 -0.04 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 1ib1 h ASP 223 Cb 0.88 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 40.19 1ib1 h ASP 223 CO 0.07 0.51 0.38 0.78 -3.12 0.00 0.00 179.24 177.87 1ib1 h ASN 224 N 0.77 1.09 0.13 6.45 4.21 -1.24 0.57 115.58 127.57 1ib1 h ASN 224 Ca 0.21 -0.14 -0.01 0.00 1.21 0.00 0.00 56.30 57.57 1ib1 h ASN 224 Cb -0.05 -0.28 0.00 0.00 -1.12 0.00 0.00 38.32 36.87 1ib1 h ASN 224 CO -0.04 0.93 -0.06 -0.07 -1.29 0.00 0.00 177.43 176.90 1ib1 h LEU 225 N 1.18 -0.15 -1.00 1.61 4.07 -0.55 0.10 115.31 120.58 1ib1 h LEU 225 Ca 0.28 -0.09 0.13 0.00 0.08 0.00 0.00 57.88 58.28 1ib1 h LEU 225 Cb 0.14 0.04 -0.09 0.00 1.08 0.00 0.00 40.66 41.83 1ib1 h LEU 225 CO -0.03 -0.00 0.62 0.74 -1.08 0.00 0.00 178.44 178.69 1ib1 h THR 226 N -0.29 0.90 -0.37 0.22 2.02 -0.32 -0.47 112.91 114.60 1ib1 h THR 226 Ca -0.02 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 1ib1 h THR 226 Cb 0.23 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 1ib1 h THR 226 CO 0.03 0.18 0.06 0.25 0.37 0.00 0.00 175.52 176.40 1ib1 h LEU 227 N 0.97 0.58 -0.95 2.58 5.85 -0.40 -3.51 115.31 120.43 1ib1 h LEU 227 Ca 0.50 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1ib1 h LEU 227 Cb 0.53 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1ib1 h LEU 227 CO -0.28 0.70 0.00 0.79 -0.34 0.00 0.00 178.44 179.31