#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 0.54 0.27 -0.67 3.64 -1.99 -2.09 116.57 116.26 1ib1 h LYS 3 Ca 0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1ib1 h LYS 3 Cb 0.00 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1ib1 h LYS 3 CO 0.00 0.36 -0.13 -0.91 -2.27 0.00 0.00 179.45 176.50 1ib1 h ASN 4 N 0.56 -0.30 -0.89 4.20 -0.26 -2.03 -2.36 115.58 114.49 1ib1 h ASN 4 Ca 0.31 -0.09 0.19 0.00 -0.56 0.00 0.00 56.30 56.16 1ib1 h ASN 4 Cb 0.30 0.08 -0.11 0.00 -1.06 0.00 0.00 38.32 37.53 1ib1 h ASN 4 CO -0.24 -0.10 0.44 -0.33 -1.06 0.00 0.00 177.43 176.14 1ib1 h GLU 5 N -0.50 0.51 -0.71 0.81 5.08 -1.92 0.28 114.58 118.13 1ib1 h GLU 5 Ca -0.04 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1ib1 h GLU 5 Cb 0.37 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1ib1 h GLU 5 CO 0.06 0.34 0.21 -0.07 -1.00 0.00 0.00 179.01 178.55 1ib1 h LEU 6 N 0.52 1.03 -0.27 1.33 4.07 -1.21 0.15 115.31 120.94 1ib1 h LEU 6 Ca 0.53 -0.19 -0.20 0.00 0.08 0.00 0.00 57.88 58.10 1ib1 h LEU 6 Cb 0.90 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.38 1ib1 h LEU 6 CO -0.45 0.96 -0.68 0.58 -1.08 0.00 0.00 178.44 177.77 1ib1 h VAL 7 N 1.06 1.29 -0.38 1.22 2.07 -0.26 0.00 116.25 121.25 1ib1 h VAL 7 Ca 0.23 -1.90 -0.03 0.00 0.82 0.00 0.00 66.70 65.82 1ib1 h VAL 7 Cb 0.31 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1ib1 h VAL 7 CO -0.01 0.60 0.14 1.56 0.02 0.00 0.00 177.57 179.88 1ib1 h GLN 8 N 0.54 0.57 -0.03 1.57 7.50 -0.29 0.04 115.11 125.01 1ib1 h GLN 8 Ca -0.02 -0.11 -0.09 0.00 0.50 0.00 0.00 58.65 58.92 1ib1 h GLN 8 Cb 1.29 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 28.72 1ib1 h GLN 8 CO 0.14 0.57 -0.41 -0.22 -1.50 0.00 0.00 178.83 177.40 1ib1 h LYS 9 N 0.46 0.07 -0.38 1.46 3.64 -0.63 -1.79 116.57 119.39 1ib1 h LYS 9 Ca 0.12 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.33 1ib1 h LYS 9 Cb 0.22 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1ib1 h LYS 9 CO -0.01 0.48 -0.32 0.00 -2.27 0.00 0.00 179.45 177.33 1ib1 h ALA 10 N 1.52 0.56 0.00 5.00 0.00 -0.33 0.11 119.26 126.11 1ib1 h ALA 10 Ca 0.00 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 1ib1 h ALA 10 Cb 0.76 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1ib1 h ALA 10 CO 0.06 0.61 -0.41 0.87 0.00 0.00 0.00 179.25 180.38 1ib1 h LYS 11 N 0.71 0.00 -0.04 0.00 1.57 -0.76 -2.07 116.57 115.97 1ib1 h LYS 11 Ca 0.07 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1ib1 h LYS 11 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1ib1 h LYS 11 CO 0.08 0.41 -0.08 1.25 -0.57 0.00 0.00 179.45 180.54 1ib1 h LEU 12 N 0.00 0.14 -1.53 2.94 5.85 -0.92 -3.07 115.31 118.71 1ib1 h LEU 12 Ca -0.00 -0.57 -0.03 0.00 0.84 0.00 0.00 57.88 58.12 1ib1 h LEU 12 Cb 0.87 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1ib1 h LEU 12 CO 0.05 0.68 -0.04 0.00 -0.34 0.00 0.00 178.44 178.79 1ib1 h ALA 13 N 0.46 1.62 -0.72 1.25 0.00 -0.64 -0.10 119.26 121.13 1ib1 h ALA 13 Ca 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1ib1 h ALA 13 Cb 0.65 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1ib1 h ALA 13 CO 0.02 0.28 0.19 1.49 0.00 0.00 0.00 179.25 181.23 1ib1 h GLU 14 N 0.24 1.14 -0.01 0.00 4.81 -1.39 0.14 114.58 119.52 1ib1 h GLU 14 Ca 0.06 -0.26 -0.22 0.00 -0.13 0.00 0.00 59.36 58.81 1ib1 h GLU 14 Cb 0.24 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1ib1 h GLU 14 CO 0.01 0.99 -0.91 1.96 -0.73 0.00 0.00 179.01 180.33 1ib1 h GLN 15 N 1.09 0.36 0.00 1.92 4.20 -1.24 -2.68 115.11 118.75 1ib1 h GLN 15 Ca 0.23 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1ib1 h GLN 15 Cb 0.35 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1ib1 h GLN 15 CO -0.00 1.06 0.00 0.00 -0.67 0.00 0.00 178.83 179.22 1ib1 n ALA 16 N -2.52 2.08 -2.01 3.87 0.00 -0.13 -4.88 120.51 116.92 1ib1 n ALA 16 Ca -0.06 -0.09 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 1ib1 n ALA 16 Cb 0.82 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.33 -1.16 -3.12 0.00 1.02 -0.20 -4.95 120.64 110.90 1ib1 n GLU 17 Ca 0.09 0.83 -0.39 0.00 -0.02 0.00 0.00 57.16 57.67 1ib1 n GLU 17 Cb 0.19 -5.11 -0.01 0.00 -0.02 0.00 0.00 31.44 26.48 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 -2.49 3.99 0.25 3.49 1.74 0.32 -4.89 116.66 119.08 1ib1 n ARG 18 Ca -0.17 -4.58 0.16 0.00 -0.77 0.00 0.00 57.85 52.49 1ib1 n ARG 18 Cb 0.59 -2.46 0.88 0.00 -1.02 0.00 0.00 32.46 30.46 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 5.21 0.00 -0.10 -1.55 0.05 -1.92 -1.58 116.97 117.08 1ib1 h TYR 19 Ca 0.20 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.86 1ib1 h TYR 19 Cb 0.64 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.36 1ib1 h TYR 19 CO 0.94 0.00 -0.47 -0.44 -1.05 0.00 0.00 178.16 177.14 1ib1 h ASP 20 N 0.00 0.25 -0.05 3.88 3.32 -1.90 -0.77 116.42 121.16 1ib1 h ASP 20 Ca 0.04 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 1ib1 h ASP 20 Cb 0.26 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1ib1 h ASP 20 CO -0.00 0.68 -0.15 0.44 -1.72 0.00 0.00 179.24 178.49 1ib1 h ASP 21 N 0.19 0.22 -0.92 6.45 3.32 -1.69 -2.42 116.42 121.57 1ib1 h ASP 21 Ca 0.01 -0.61 0.12 0.00 0.02 0.00 0.00 57.03 56.57 1ib1 h ASP 21 Cb 0.90 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 40.30 1ib1 h ASP 21 CO 0.07 0.80 0.54 -0.03 -1.72 0.00 0.00 179.24 178.90 1ib1 h MET 22 N -0.35 0.82 -0.33 3.56 4.05 -1.28 -0.90 114.93 120.50 1ib1 h MET 22 Ca -0.01 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.30 1ib1 h MET 22 Cb 0.78 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.38 1ib1 h MET 22 CO 0.03 0.54 -0.06 0.00 0.23 0.00 0.00 176.91 177.66 1ib1 h ALA 23 N 1.52 0.45 -0.89 0.39 0.00 -1.12 -2.10 119.26 117.52 1ib1 h ALA 23 Ca 0.47 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1ib1 h ALA 23 Cb 0.51 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1ib1 h ALA 23 CO -0.29 0.27 0.56 0.00 0.00 0.00 0.00 179.25 179.79 1ib1 h ALA 24 N 0.82 1.21 -0.13 0.00 0.00 -0.73 0.20 119.26 120.64 1ib1 h ALA 24 Ca 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ib1 h ALA 24 Cb 0.54 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ib1 h ALA 24 CO 0.03 0.35 0.03 0.00 0.00 0.00 0.00 179.25 179.66 1ib1 h MET 26 N -0.00 0.00 -0.05 0.00 2.86 -0.82 -1.79 114.93 115.12 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 0.26 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1ib1 h MET 26 CO 0.00 0.16 -0.78 -0.22 1.06 0.00 0.00 176.91 177.13 1ib1 h LYS 27 N 0.00 0.35 -0.17 1.72 3.64 -0.37 -2.14 116.57 119.61 1ib1 h LYS 27 Ca -0.00 -0.32 -0.11 0.00 -1.27 0.00 0.00 60.65 58.95 1ib1 h LYS 27 Cb 0.56 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1ib1 h LYS 27 CO 0.02 0.98 -0.33 0.77 -2.27 0.00 0.00 179.45 178.62 1ib1 h SER 28 N 0.23 0.59 -0.56 4.20 0.02 -0.76 -2.08 113.55 115.18 1ib1 h SER 28 Ca -0.04 -0.55 0.03 0.00 -0.84 0.00 0.00 61.79 60.39 1ib1 h SER 28 Cb 1.37 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.71 1ib1 h SER 28 CO 0.13 1.02 0.33 0.58 -1.14 0.00 0.00 176.83 177.76 1ib1 h VAL 29 N 0.17 1.05 -0.28 2.27 2.07 -1.34 -0.81 116.25 119.38 1ib1 h VAL 29 Ca 0.01 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1ib1 h VAL 29 Cb 0.92 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1ib1 h VAL 29 CO 0.07 0.12 0.04 0.74 0.02 0.00 0.00 177.57 178.56 1ib1 h THR 30 N 0.66 1.15 0.00 2.57 2.02 -1.35 -2.50 112.91 115.46 1ib1 h THR 30 Ca 0.23 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1ib1 h THR 30 Cb 0.04 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1ib1 h THR 30 CO -0.11 0.19 0.00 -0.62 0.37 0.00 0.00 175.52 175.36 1ib1 n GLU 31 N -4.35 0.74 -0.32 6.66 1.02 -0.32 -2.32 120.64 121.74 1ib1 n GLU 31 Ca 0.01 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.21 1ib1 n GLU 31 Cb 0.19 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.31 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 -1.00 2.44 -0.65 3.49 6.02 -0.94 -4.93 117.38 121.80 1ib1 n GLN 32 Ca 0.18 -1.63 0.00 0.00 -0.01 0.00 0.00 57.00 55.54 1ib1 n GLN 32 Cb 0.08 -1.55 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 0.88 0.04 3.85 1.08 0.00 -0.98 -4.96 105.19 105.09 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 -1.11 3.63 0.26 4.61 0.00 -1.26 -5.03 121.76 122.87 1ib1 s ALA 34 Ca 0.00 -0.19 -0.30 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 1.59 -2.00 0.00 0.00 0.00 175.76 175.84 1ib1 s GLU 35 N -1.76 4.15 0.39 0.00 2.12 -1.26 -4.87 118.70 117.48 1ib1 s GLU 35 Ca 0.34 2.52 -0.24 0.00 0.36 0.00 0.00 54.97 57.96 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 -0.62 1.03 -0.51 -0.54 0.00 0.00 175.26 174.79 1ib1 s LEU 36 N -0.03 4.14 0.79 2.70 1.02 -1.26 -5.05 118.68 120.99 1ib1 s LEU 36 Ca 0.65 1.97 -0.12 0.00 0.02 0.00 0.00 54.13 56.66 1ib1 s LEU 36 Cb -0.47 -4.21 0.07 0.00 0.02 0.00 0.00 46.19 41.60 1ib1 s LEU 36 CO 0.43 -0.43 1.11 -0.94 0.02 0.00 0.00 176.35 176.53 1ib1 s SER 37 N -1.64 4.56 0.34 2.29 1.04 -1.26 -4.76 113.70 114.26 1ib1 s SER 37 Ca 0.57 1.18 0.04 0.00 0.48 0.00 0.00 55.95 58.23 1ib1 s SER 37 Cb -0.20 -1.88 0.67 0.00 0.10 0.00 0.00 66.02 64.71 1ib1 s SER 37 CO 0.25 -1.91 1.92 0.78 0.98 0.00 0.00 173.24 175.26 1ib1 h ASN 38 N -1.05 0.76 0.14 7.02 2.35 -1.98 0.15 115.58 122.97 1ib1 h ASN 38 Ca -0.47 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.29 1ib1 h ASN 38 Cb 1.28 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.50 1ib1 h ASN 38 CO 0.61 0.47 -0.07 -0.08 -1.65 0.00 0.00 177.43 176.71 1ib1 h GLU 39 N 0.85 -0.19 -0.40 0.81 4.81 -1.99 -0.40 114.58 118.07 1ib1 h GLU 39 Ca 0.37 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.63 1ib1 h GLU 39 Cb 0.33 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1ib1 h GLU 39 CO -0.14 0.05 0.27 0.93 -0.73 0.00 0.00 179.01 179.39 1ib1 h GLU 40 N -0.41 0.47 -0.27 1.92 5.08 -1.77 -0.61 114.58 118.99 1ib1 h GLU 40 Ca -0.02 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1ib1 h GLU 40 Cb 0.33 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1ib1 h GLU 40 CO 0.03 0.31 -0.05 -0.09 -1.00 0.00 0.00 179.01 178.22 1ib1 h ARG 41 N 0.49 0.51 -0.52 2.33 2.43 -0.40 -1.35 114.38 117.87 1ib1 h ARG 41 Ca 0.15 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1ib1 h ARG 41 Cb 0.02 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1ib1 h ARG 41 CO -0.04 0.71 0.25 -0.97 -1.51 0.00 0.00 179.97 178.41 1ib1 h ASN 42 N 0.27 0.68 -0.67 -3.80 -0.73 -0.47 -1.37 115.58 109.49 1ib1 h ASN 42 Ca 0.07 -0.13 0.04 0.00 1.87 0.00 0.00 56.30 58.15 1ib1 h ASN 42 Cb 0.51 -0.17 -0.05 0.00 0.27 0.00 0.00 38.32 38.88 1ib1 h ASN 42 CO 0.02 0.62 0.41 -0.07 -0.37 0.00 0.00 177.43 178.04 1ib1 h LEU 43 N 0.69 0.65 -0.37 0.34 4.07 -1.00 0.14 115.31 119.83 1ib1 h LEU 43 Ca 0.18 0.01 -0.07 0.00 0.08 0.00 0.00 57.88 58.08 1ib1 h LEU 43 Cb 0.12 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 1ib1 h LEU 43 CO -0.02 0.44 -0.02 0.25 -1.08 0.00 0.00 178.44 178.00 1ib1 h LEU 44 N 0.78 0.66 -0.34 1.67 5.85 -0.95 -0.35 115.31 122.64 1ib1 h LEU 44 Ca 0.28 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1ib1 h LEU 44 Cb 0.07 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1ib1 h LEU 44 CO -0.13 0.83 0.15 -1.28 -0.34 0.00 0.00 178.44 177.66 1ib1 h SER 45 N 0.48 0.46 -0.49 1.25 0.87 -0.76 -2.24 113.55 113.13 1ib1 h SER 45 Ca 0.10 -0.15 -0.12 0.00 -1.23 0.00 0.00 61.79 60.39 1ib1 h SER 45 Cb 0.50 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1ib1 h SER 45 CO 0.02 0.48 -0.17 0.58 -0.53 0.00 0.00 176.83 177.22 1ib1 h VAL 46 N 0.40 1.27 0.39 2.23 2.07 -0.70 0.11 116.25 122.02 1ib1 h VAL 46 Ca 0.11 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 1ib1 h VAL 46 Cb 0.16 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1ib1 h VAL 46 CO -0.01 0.46 -0.20 0.00 0.02 0.00 0.00 177.57 177.84 1ib1 h ALA 47 N 0.88 -0.54 -0.35 1.67 0.00 -0.95 -2.04 119.26 117.93 1ib1 h ALA 47 Ca 0.12 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1ib1 h ALA 47 Cb 0.74 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1ib1 h ALA 47 CO 0.06 -0.81 -0.28 1.88 0.00 0.00 0.00 179.25 180.10 1ib1 h TYR 48 N -0.54 0.85 -0.44 0.00 0.05 -1.37 -0.18 116.97 115.34 1ib1 h TYR 48 Ca -0.05 -0.21 -0.02 0.00 0.05 0.00 0.00 58.73 58.50 1ib1 h TYR 48 Cb 0.42 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 1ib1 h TYR 48 CO -0.06 0.93 0.20 -0.22 -1.05 0.00 0.00 178.16 177.96 1ib1 h LYS 49 N 0.63 0.61 0.01 4.88 1.63 -0.69 -0.42 116.57 123.22 1ib1 h LYS 49 Ca 0.08 -0.07 -0.09 0.00 -0.85 0.00 0.00 60.65 59.71 1ib1 h LYS 49 Cb 0.79 -0.12 0.01 0.00 -0.60 0.00 0.00 32.23 32.31 1ib1 h LYS 49 CO 0.07 0.49 -0.37 -0.91 -3.45 0.00 0.00 179.45 175.27 1ib1 h ASN 50 N 0.61 0.31 -0.72 4.20 2.35 -1.00 -1.56 115.58 119.78 1ib1 h ASN 50 Ca 0.15 -0.80 0.03 0.00 -0.55 0.00 0.00 56.30 55.14 1ib1 h ASN 50 Cb 0.09 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.31 1ib1 h ASN 50 CO -0.02 1.07 0.45 0.58 -1.65 0.00 0.00 177.43 177.86 1ib1 h VAL 51 N -0.41 1.09 0.16 2.81 2.07 -0.65 -2.38 116.25 118.94 1ib1 h VAL 51 Ca -0.05 -0.30 -0.30 0.00 0.82 0.00 0.00 66.70 66.88 1ib1 h VAL 51 Cb 1.13 0.14 0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1ib1 h VAL 51 CO 0.07 0.16 -1.30 1.62 0.02 0.00 0.00 177.57 178.14 1ib1 h VAL 52 N 0.87 1.39 -0.72 2.57 3.04 -1.19 -3.28 116.25 118.94 1ib1 h VAL 52 Ca 0.29 -2.81 0.06 0.00 -1.01 0.00 0.00 66.70 63.24 1ib1 h VAL 52 Cb 0.03 2.90 -0.04 0.00 -2.01 0.00 0.00 31.29 32.17 1ib1 h VAL 52 CO -0.12 0.83 0.47 1.23 -1.01 0.00 0.00 177.57 178.98 1ib1 h GLY 53 N 0.91 0.94 0.97 3.17 0.00 -1.07 0.15 103.07 108.13 1ib1 h GLY 53 Ca -0.18 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1ib1 h GLY 53 CO 0.23 0.22 0.03 0.00 0.00 0.00 0.00 176.54 177.02 1ib1 h ALA 54 N 1.61 0.08 -0.53 3.60 0.00 -1.49 -0.68 119.26 121.85 1ib1 h ALA 54 Ca 0.31 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 1ib1 h ALA 54 Cb 0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1ib1 h ALA 54 CO -0.10 -0.44 -0.07 0.00 0.00 0.00 0.00 179.25 178.64 1ib1 h ARG 55 N 0.07 0.96 -0.83 0.00 -0.00 -1.44 -1.99 114.38 111.15 1ib1 h ARG 55 Ca 0.03 -0.33 -0.00 0.00 -0.50 0.00 0.00 59.98 59.18 1ib1 h ARG 55 Cb 0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 29.97 29.86 1ib1 h ARG 55 CO -0.02 0.99 0.51 0.00 0.00 0.00 0.00 179.97 181.45 1ib1 h ARG 56 N 0.87 1.13 -0.13 0.04 3.08 -0.66 0.10 114.38 118.80 1ib1 h ARG 56 Ca 0.14 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1ib1 h ARG 56 Cb 0.61 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1ib1 h ARG 56 CO 0.04 0.79 0.03 1.03 -1.07 0.00 0.00 179.97 180.79 1ib1 h SER 57 N 1.14 0.19 -0.65 7.04 0.87 -0.90 -1.39 113.55 119.85 1ib1 h SER 57 Ca 0.30 -0.22 0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1ib1 h SER 57 Cb -0.05 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 1ib1 h SER 57 CO -0.06 0.37 0.43 0.28 -0.53 0.00 0.00 176.83 177.32 1ib1 h SER 58 N 0.01 0.72 0.20 6.23 0.02 -1.06 -2.48 113.55 117.19 1ib1 h SER 58 Ca 0.04 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1ib1 h SER 58 Cb 0.25 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1ib1 h SER 58 CO 0.00 0.52 -0.10 -0.25 -1.14 0.00 0.00 176.83 175.86 1ib1 h TRP 59 N 0.85 -0.25 -0.91 3.45 7.01 -0.30 -1.56 115.95 124.24 1ib1 h TRP 59 Ca 0.24 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.33 1ib1 h TRP 59 Cb -0.05 0.08 -0.07 0.00 -2.10 0.00 0.00 29.16 27.02 1ib1 h TRP 59 CO -0.00 -0.02 0.56 0.00 -2.79 0.00 0.00 178.44 176.19 1ib1 h ARG 60 N -0.45 0.91 -0.10 2.65 3.08 -1.02 -0.12 114.38 119.34 1ib1 h ARG 60 Ca -0.03 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1ib1 h ARG 60 Cb 0.34 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1ib1 h ARG 60 CO 0.05 0.60 -0.10 -0.24 -1.07 0.00 0.00 179.97 179.21 1ib1 h VAL 61 N 0.94 1.36 0.00 2.04 3.04 -1.36 -1.75 116.25 120.53 1ib1 h VAL 61 Ca 0.43 -1.27 -0.03 0.00 -1.01 0.00 0.00 66.70 64.82 1ib1 h VAL 61 Cb 0.34 1.98 -0.00 0.00 -2.01 0.00 0.00 31.29 31.60 1ib1 h VAL 61 CO -0.23 0.36 -0.15 1.62 -1.01 0.00 0.00 177.57 178.16 1ib1 h VAL 62 N -0.17 0.61 -0.03 1.51 3.04 -0.96 -0.65 116.25 119.59 1ib1 h VAL 62 Ca 0.02 -0.69 -0.13 0.00 -1.01 0.00 0.00 66.70 64.89 1ib1 h VAL 62 Cb 0.63 1.44 0.01 0.00 -2.01 0.00 0.00 31.29 31.36 1ib1 h VAL 62 CO 0.03 0.15 -0.51 0.28 -1.01 0.00 0.00 177.57 176.51 1ib1 h SER 63 N 0.00 0.50 -0.02 3.17 0.02 -0.95 -1.58 113.55 114.69 1ib1 h SER 63 Ca -0.00 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 60.23 1ib1 h SER 63 Cb 0.43 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 1ib1 h SER 63 CO 0.02 1.15 -0.01 -1.28 -1.14 0.00 0.00 176.83 175.57 1ib1 h SER 64 N -0.10 -0.04 -0.62 3.07 0.87 -0.82 -0.46 113.55 115.46 1ib1 h SER 64 Ca -0.05 0.01 0.09 0.00 -1.23 0.00 0.00 61.79 60.60 1ib1 h SER 64 Cb 1.20 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 63.11 1ib1 h SER 64 CO 0.10 -0.02 0.26 0.40 -0.53 0.00 0.00 176.83 177.04 1ib1 h ILE 65 N -0.01 0.81 0.00 2.23 2.04 -1.17 -1.52 117.51 119.89 1ib1 h ILE 65 Ca 0.01 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1ib1 h ILE 65 Cb 0.03 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1ib1 h ILE 65 CO -0.02 0.08 -0.02 -0.08 0.00 0.00 0.00 178.15 178.11 1ib1 h GLU 66 N 0.46 -0.03 0.00 2.37 4.81 -0.55 -1.24 114.58 120.39 1ib1 h GLU 66 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1ib1 h GLU 66 Cb 0.35 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1ib1 h GLU 66 CO -0.28 -0.02 0.00 0.00 -0.73 0.00 0.00 179.01 177.98 1ib1 n GLN 67 N -5.11 0.06 0.00 1.92 -0.00 -0.25 -1.98 117.38 112.02 1ib1 n GLN 67 Ca -0.07 0.26 0.11 0.00 -0.00 0.00 0.00 57.00 57.30 1ib1 n GLN 67 Cb 0.05 -1.60 0.06 0.00 -0.00 0.00 0.00 30.24 28.75 1ib1 n GLN 67 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1ib1 n LYS 68 N -1.72 1.27 -2.91 2.61 5.02 -0.60 -4.58 118.16 117.25 1ib1 n LYS 68 Ca 0.04 -1.02 -0.44 0.00 -2.02 0.00 0.00 58.31 54.87 1ib1 n LYS 68 Cb 0.22 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.74 1ib1 n LYS 68 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ib1 s THR 69 N -2.43 4.88 -0.21 -0.18 2.01 -0.55 -4.97 115.64 114.20 1ib1 s THR 69 Ca 0.20 -2.28 -0.12 0.00 0.31 0.00 0.00 61.69 59.80 1ib1 s THR 69 Cb 0.18 -4.89 -0.05 0.00 0.01 0.00 0.00 72.50 67.75 1ib1 s THR 69 CO 0.54 -1.62 0.23 -1.61 -0.69 0.00 0.00 174.62 171.47 1ib1 s GLU 70 N 2.08 4.15 0.00 4.92 0.41 -1.26 -4.56 118.70 124.44 1ib1 s GLU 70 Ca 0.41 -0.09 0.00 0.00 -0.41 0.00 0.00 54.97 54.88 1ib1 s GLU 70 Cb -0.03 -3.50 0.00 0.00 -1.78 0.00 0.00 34.13 28.82 1ib1 s GLU 70 CO -0.02 0.11 0.00 0.41 -0.49 0.00 0.00 175.26 175.26 1ib1 n GLY 71 N 3.92 2.06 3.49 -1.39 0.00 -1.26 -4.98 105.19 107.02 1ib1 n GLY 71 Ca -0.13 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 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 0.00 0.54 -0.16 4.61 0.00 -1.26 -4.78 120.51 119.47 1ib1 n ALA 72 Ca 0.00 -1.34 -0.02 0.00 0.00 0.00 0.00 53.44 52.08 1ib1 n ALA 72 Cb 0.00 -2.77 0.07 0.00 0.00 0.00 0.00 19.45 16.74 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 11.69 0.21 -0.10 0.00 5.08 -1.93 -0.20 114.58 129.33 1ib1 h GLU 73 Ca 0.01 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1ib1 h GLU 73 Cb 1.04 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1ib1 h GLU 73 CO 1.17 0.14 -0.03 -0.22 -1.00 0.00 0.00 179.01 179.07 1ib1 h LYS 74 N 0.22 0.21 -0.07 2.33 3.64 -1.99 -0.92 116.57 119.99 1ib1 h LYS 74 Ca 0.25 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1ib1 h LYS 74 Cb 0.35 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1ib1 h LYS 74 CO -0.34 0.53 -0.06 0.87 -2.27 0.00 0.00 179.45 178.18 1ib1 h LYS 75 N -0.13 0.10 -0.01 1.90 1.57 -1.91 -1.13 116.57 116.95 1ib1 h LYS 75 Ca 0.03 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.60 1ib1 h LYS 75 Cb 0.46 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1ib1 h LYS 75 CO 0.01 0.17 -0.85 0.37 -0.57 0.00 0.00 179.45 178.58 1ib1 h GLN 76 N 0.10 0.26 0.00 3.15 4.15 -0.96 -3.05 115.11 118.75 1ib1 h GLN 76 Ca 0.02 -0.26 -0.08 0.00 0.77 0.00 0.00 58.65 59.10 1ib1 h GLN 76 Cb 0.17 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1ib1 h GLN 76 CO 0.01 0.96 -0.38 0.37 -1.93 0.00 0.00 178.83 177.87 1ib1 h GLN 77 N 0.15 0.00 -0.20 1.69 4.15 -0.24 -1.07 115.11 119.59 1ib1 h GLN 77 Ca -0.05 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 1ib1 h GLN 77 Cb 1.46 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.14 1ib1 h GLN 77 CO 0.13 0.38 0.04 0.52 -1.93 0.00 0.00 178.83 177.97 1ib1 h MET 78 N 0.00 0.32 -0.49 1.69 2.86 -1.14 -1.70 114.93 116.47 1ib1 h MET 78 Ca -0.00 -0.08 -0.10 0.00 -2.06 0.00 0.00 59.70 57.45 1ib1 h MET 78 Cb 0.87 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.48 1ib1 h MET 78 CO 0.05 0.47 -0.10 0.00 1.06 0.00 0.00 176.91 178.38 1ib1 h ALA 79 N 0.84 0.89 0.01 6.32 0.00 -1.44 -2.05 119.26 123.83 1ib1 h ALA 79 Ca 0.06 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1ib1 h ALA 79 Cb 0.30 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1ib1 h ALA 79 CO 0.00 0.64 -0.11 -0.09 0.00 0.00 0.00 179.25 179.69 1ib1 h ARG 80 N 0.81 -0.19 -0.41 0.00 2.43 -1.03 0.12 114.38 116.10 1ib1 h ARG 80 Ca 0.13 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 1ib1 h ARG 80 Cb 0.63 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 1ib1 h ARG 80 CO 0.04 -0.13 0.03 0.93 -1.51 0.00 0.00 179.97 179.34 1ib1 h GLU 81 N -0.20 0.71 -0.55 0.20 5.08 -1.21 -1.69 114.58 116.92 1ib1 h GLU 81 Ca 0.04 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1ib1 h GLU 81 Cb 0.24 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1ib1 h GLU 81 CO -0.10 0.77 0.24 -0.92 -1.00 0.00 0.00 179.01 178.00 1ib1 h TYR 82 N 0.55 0.81 -0.84 4.33 3.20 -1.22 0.65 116.97 124.44 1ib1 h TYR 82 Ca 0.12 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.96 1ib1 h TYR 82 Cb 0.43 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 1ib1 h TYR 82 CO 0.03 0.64 0.55 -0.09 -1.64 0.00 0.00 178.16 177.66 1ib1 h ARG 83 N 0.74 1.06 -0.39 1.82 1.12 -0.62 0.43 114.38 118.54 1ib1 h ARG 83 Ca 0.19 -0.06 -0.09 0.00 -1.11 0.00 0.00 59.98 58.90 1ib1 h ARG 83 Cb 0.16 -0.24 -0.02 0.00 -0.01 0.00 0.00 29.97 29.86 1ib1 h ARG 83 CO -0.02 0.70 -0.13 0.93 -3.11 0.00 0.00 179.97 178.34 1ib1 h GLU 84 N 1.09 0.70 -0.62 0.20 5.08 -0.65 0.15 114.58 120.54 1ib1 h GLU 84 Ca 0.32 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1ib1 h GLU 84 Cb -0.06 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1ib1 h GLU 84 CO -0.09 0.81 0.34 -0.22 -1.00 0.00 0.00 179.01 178.84 1ib1 h LYS 85 N 0.64 0.87 -0.23 2.33 3.64 0.60 -1.29 116.57 123.13 1ib1 h LYS 85 Ca 0.11 -0.10 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1ib1 h LYS 85 Cb 0.59 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1ib1 h LYS 85 CO 0.04 0.66 -0.42 0.82 -2.27 0.00 0.00 179.45 178.28 1ib1 h ILE 86 N 0.84 1.30 -0.46 2.00 2.04 -0.50 -2.95 117.51 119.78 1ib1 h ILE 86 Ca 0.22 -1.60 -0.07 0.00 1.00 0.00 0.00 64.86 64.41 1ib1 h ILE 86 Cb 0.05 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1ib1 h ILE 86 CO -0.03 0.50 0.01 -0.33 0.00 0.00 0.00 178.15 178.29 1ib1 h GLU 87 N 0.44 0.75 -0.63 2.37 5.08 -0.12 0.15 114.58 122.63 1ib1 h GLU 87 Ca 0.03 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 1ib1 h GLU 87 Cb 0.92 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1ib1 h GLU 87 CO 0.08 0.76 0.06 1.15 -1.00 0.00 0.00 179.01 180.05 1ib1 h THR 88 N 0.71 1.26 -0.43 1.13 2.02 -1.14 0.27 112.91 116.73 1ib1 h THR 88 Ca 0.14 -1.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.20 1ib1 h THR 88 Cb 0.42 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1ib1 h THR 88 CO 0.02 0.40 0.15 -0.08 0.37 0.00 0.00 175.52 176.37 1ib1 h GLU 89 N 0.98 0.67 -0.38 6.66 4.81 -1.29 -0.66 114.58 125.36 1ib1 h GLU 89 Ca 0.18 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1ib1 h GLU 89 Cb 0.50 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1ib1 h GLU 89 CO 0.02 0.64 0.09 1.25 -0.73 0.00 0.00 179.01 180.28 1ib1 h LEU 90 N 0.56 0.58 -0.44 1.64 5.85 -0.72 -2.48 115.31 120.30 1ib1 h LEU 90 Ca 0.14 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1ib1 h LEU 90 Cb 0.24 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1ib1 h LEU 90 CO -0.01 0.66 0.27 -0.09 -0.34 0.00 0.00 178.44 178.93 1ib1 h ARG 91 N 0.47 0.60 -0.67 1.25 9.65 -0.22 -2.19 114.38 123.26 1ib1 h ARG 91 Ca 0.12 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1ib1 h ARG 91 Cb 0.31 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.74 1ib1 h ARG 91 CO 0.00 0.44 0.39 -0.44 2.80 0.00 0.00 179.97 183.16 1ib1 h ASP 92 N 0.58 0.82 -0.07 -3.80 3.32 -0.99 -1.15 116.42 115.14 1ib1 h ASP 92 Ca 0.16 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1ib1 h ASP 92 Cb -0.00 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 1ib1 h ASP 92 CO -0.03 0.65 0.04 0.40 -1.72 0.00 0.00 179.24 178.58 1ib1 h ILE 93 N 0.91 1.03 -0.15 0.35 2.04 -1.18 -1.19 117.51 119.33 1ib1 h ILE 93 Ca 0.24 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 66.04 1ib1 h ILE 93 Cb -0.00 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1ib1 h ILE 93 CO -0.04 0.03 0.02 0.00 0.00 0.00 0.00 178.15 178.15 1ib1 h ASN 95 N 0.07 0.11 0.56 0.00 2.35 -1.04 0.34 115.58 117.98 1ib1 h ASN 95 Ca 0.07 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1ib1 h ASN 95 Cb 0.07 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 38.42 1ib1 h ASN 95 CO -0.10 0.08 -0.27 0.44 -1.65 0.00 0.00 177.43 175.93 1ib1 h ASP 96 N 0.13 -0.64 0.10 5.81 5.19 -0.25 -0.67 116.42 126.10 1ib1 h ASP 96 Ca 0.05 -0.02 -0.16 0.00 -0.62 0.00 0.00 57.03 56.29 1ib1 h ASP 96 Cb 0.04 0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 1ib1 h ASP 96 CO -0.01 -0.39 -0.57 1.62 -3.12 0.00 0.00 179.24 176.78 1ib1 h VAL 97 N -0.85 1.33 -0.38 -1.35 3.04 -1.17 -1.98 116.25 114.89 1ib1 h VAL 97 Ca -0.08 -1.84 -0.03 0.00 -1.01 0.00 0.00 66.70 63.75 1ib1 h VAL 97 Cb 0.62 1.83 -0.02 0.00 -2.01 0.00 0.00 31.29 31.71 1ib1 h VAL 97 CO 0.13 0.57 0.13 -0.07 -1.01 0.00 0.00 177.57 177.31 1ib1 h LEU 98 N 0.37 0.50 -0.13 3.16 4.07 -0.89 0.33 115.31 122.71 1ib1 h LEU 98 Ca 0.00 -0.06 -0.19 0.00 0.08 0.00 0.00 57.88 57.71 1ib1 h LEU 98 Cb 1.10 -0.13 0.01 0.00 1.08 0.00 0.00 40.66 42.72 1ib1 h LEU 98 CO 0.10 0.48 -0.67 -1.28 -1.08 0.00 0.00 178.44 175.98 1ib1 h SER 99 N 0.55 0.81 -0.80 -0.43 0.87 -0.90 -1.28 113.55 112.37 1ib1 h SER 99 Ca 0.13 -0.64 -0.01 0.00 -1.23 0.00 0.00 61.79 60.04 1ib1 h SER 99 Cb 0.15 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.83 1ib1 h SER 99 CO -0.01 1.32 0.46 -0.07 -0.53 0.00 0.00 176.83 178.01 1ib1 h LEU 100 N 0.36 0.97 0.49 2.23 4.07 -0.70 -0.33 115.31 122.40 1ib1 h LEU 100 Ca -0.05 -0.08 -0.02 0.00 0.08 0.00 0.00 57.88 57.81 1ib1 h LEU 100 Cb 1.31 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1ib1 h LEU 100 CO 0.14 0.77 -0.24 -0.07 -1.08 0.00 0.00 178.44 177.96 1ib1 h LEU 101 N 1.10 -0.56 -1.39 1.67 4.07 -0.24 -0.02 115.31 119.94 1ib1 h LEU 101 Ca 0.28 -0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.19 1ib1 h LEU 101 Cb -0.01 0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 1ib1 h LEU 101 CO -0.05 -0.37 -0.15 -0.33 -1.08 0.00 0.00 178.44 176.46 1ib1 h GLU 102 N -0.71 0.22 0.08 1.13 3.07 -1.03 -1.01 114.58 116.33 1ib1 h GLU 102 Ca -0.07 -0.05 -0.33 0.00 -0.50 0.00 0.00 59.36 58.41 1ib1 h GLU 102 Cb 0.53 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.38 1ib1 h GLU 102 CO 0.11 0.38 -1.84 0.87 -1.40 0.00 0.00 179.01 177.13 1ib1 h LYS 103 N 0.21 0.17 0.00 2.33 1.57 -0.98 -3.43 116.57 116.44 1ib1 h LYS 103 Ca 0.04 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1ib1 h LYS 103 Cb 0.40 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1ib1 h LYS 103 CO 0.02 0.93 -0.69 1.19 -0.57 0.00 0.00 179.45 180.34 1ib1 n PHE 104 N -3.32 -0.01 0.31 -1.35 3.01 -0.08 -4.81 117.46 111.21 1ib1 n PHE 104 Ca -0.25 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.08 1ib1 n PHE 104 Cb 1.05 0.15 -0.07 0.00 -0.01 0.00 0.00 39.48 40.60 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 -0.85 -0.84 4.37 -0.00 -1.30 -2.42 115.31 114.28 1ib1 h LEU 105 Ca 0.00 0.05 -0.11 0.00 -0.00 0.00 0.00 57.88 57.81 1ib1 h LEU 105 Cb 0.69 0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 41.58 1ib1 h LEU 105 CO 0.00 -0.53 -0.32 0.16 -0.00 0.00 0.00 178.44 177.75 1ib1 h ILE 106 N -0.85 1.28 -0.23 1.22 3.07 -1.45 -2.79 117.51 117.76 1ib1 h ILE 106 Ca -0.08 -1.41 -0.07 0.00 1.55 0.00 0.00 64.86 64.86 1ib1 h ILE 106 Cb 0.68 1.46 -0.01 0.00 -0.27 0.00 0.00 36.82 38.67 1ib1 h ILE 106 CO 0.08 0.44 -0.16 -0.65 -1.05 0.00 0.00 178.15 176.82 1ib1 h PRO 107 N 0.42 0.39 -0.00 0.16 0.11 -1.75 -2.77 132.00 128.56 1ib1 h PRO 107 Ca 0.05 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1ib1 h PRO 107 Cb 0.77 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1ib1 h PRO 107 CO 0.06 0.54 -0.24 0.09 -0.21 0.00 0.00 178.00 178.25 1ib1 n ASN 108 N -4.20 0.37 -4.55 -2.05 5.03 -0.91 -4.84 115.26 104.11 1ib1 n ASN 108 Ca -0.00 -0.14 -0.32 0.00 0.87 0.00 0.00 54.58 54.98 1ib1 n ASN 108 Cb 0.32 -0.07 -0.04 0.00 -1.02 0.00 0.00 39.78 38.98 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 -2.84 1.67 -0.05 5.41 0.00 -1.05 -4.82 121.76 120.08 1ib1 s ALA 109 Ca 0.17 -0.54 -0.24 0.00 0.00 0.00 0.00 51.96 51.36 1ib1 s ALA 109 Cb 0.19 -4.40 -0.26 0.00 0.00 0.00 0.00 23.12 18.65 1ib1 s ALA 109 CO 0.58 -4.55 0.96 0.66 0.00 0.00 0.00 175.76 173.41 1ib1 h SER 110 N 15.88 0.32 -3.01 0.00 4.64 -1.89 -3.44 113.55 126.05 1ib1 h SER 110 Ca -0.16 -0.86 -0.48 0.00 -0.47 0.00 0.00 61.79 59.82 1ib1 h SER 110 Cb 1.16 -0.10 0.02 0.00 -0.31 0.00 0.00 62.40 63.17 1ib1 h SER 110 CO 1.16 1.15 -0.09 -1.10 -0.87 0.00 0.00 176.83 177.08 1ib1 s GLN 111 N -2.78 3.40 0.31 4.77 1.11 -1.26 -4.98 119.66 120.24 1ib1 s GLN 111 Ca -0.15 -0.22 0.06 0.00 0.01 0.00 0.00 55.36 55.05 1ib1 s GLN 111 Cb 0.01 -2.56 0.52 0.00 -1.01 0.00 0.00 33.01 29.97 1ib1 s GLN 111 CO 0.77 -0.04 1.77 0.00 0.01 0.00 0.00 175.29 177.80 1ib1 h ALA 112 N 0.53 1.21 -0.48 6.09 0.00 -1.98 -0.73 119.26 123.90 1ib1 h ALA 112 Ca -0.48 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.06 1ib1 h ALA 112 Cb 1.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1ib1 h ALA 112 CO 0.61 0.51 0.13 1.49 0.00 0.00 0.00 179.25 181.99 1ib1 h GLU 113 N 0.31 0.72 0.03 0.00 4.81 -1.94 -0.49 114.58 118.02 1ib1 h GLU 113 Ca 0.05 -0.13 -0.19 0.00 -0.13 0.00 0.00 59.36 58.96 1ib1 h GLU 113 Cb 0.63 -0.12 0.02 0.00 0.63 0.00 0.00 28.75 29.90 1ib1 h GLU 113 CO 0.04 0.64 -0.76 0.77 -0.73 0.00 0.00 179.01 178.98 1ib1 h SER 114 N 0.71 0.62 -0.83 1.04 0.02 -1.83 -2.45 113.55 110.82 1ib1 h SER 114 Ca 0.16 -0.79 0.02 0.00 -0.84 0.00 0.00 61.79 60.34 1ib1 h SER 114 Cb 0.24 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 1ib1 h SER 114 CO -0.01 1.33 0.54 0.11 -1.14 0.00 0.00 176.83 177.67 1ib1 h LYS 115 N -0.02 1.06 -0.12 3.45 1.57 -0.86 -1.44 116.57 120.21 1ib1 h LYS 115 Ca -0.10 -0.06 -0.19 0.00 -1.87 0.00 0.00 60.65 58.43 1ib1 h LYS 115 Cb 1.47 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 33.54 1ib1 h LYS 115 CO 0.15 0.70 -0.70 -0.24 -0.57 0.00 0.00 179.45 178.78 1ib1 h VAL 116 N 1.09 1.35 0.71 0.50 3.04 -1.16 -1.70 116.25 120.07 1ib1 h VAL 116 Ca 0.31 -2.04 -0.03 0.00 -1.01 0.00 0.00 66.70 63.93 1ib1 h VAL 116 Cb -0.08 2.02 0.01 0.00 -2.01 0.00 0.00 31.29 31.22 1ib1 h VAL 116 CO -0.08 0.62 -0.34 0.15 -1.01 0.00 0.00 177.57 176.91 1ib1 h PHE 117 N 0.36 -0.88 0.00 3.17 3.04 -1.02 0.17 116.94 121.78 1ib1 h PHE 117 Ca -0.03 -0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.84 1ib1 h PHE 117 Cb 1.28 0.29 -0.01 0.00 2.56 0.00 0.00 35.95 40.07 1ib1 h PHE 117 CO 0.05 -0.55 -0.31 1.88 -2.02 0.00 0.00 178.31 177.37 1ib1 h TYR 118 N -0.95 0.00 -0.10 0.41 0.05 -1.34 -0.13 116.97 114.92 1ib1 h TYR 118 Ca -0.10 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.49 1ib1 h TYR 118 Cb 0.73 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.47 1ib1 h TYR 118 CO -0.02 0.31 -0.72 -0.07 -1.05 0.00 0.00 178.16 176.60 1ib1 h LEU 119 N 0.00 0.56 -0.32 3.88 4.07 -1.12 -0.87 115.31 121.50 1ib1 h LEU 119 Ca -0.00 -0.36 -0.09 0.00 0.08 0.00 0.00 57.88 57.50 1ib1 h LEU 119 Cb 0.58 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1ib1 h LEU 119 CO 0.04 1.11 -0.16 0.50 -1.08 0.00 0.00 178.44 178.85 1ib1 h LYS 120 N 0.33 0.68 -0.09 1.13 3.64 -0.54 -1.33 116.57 120.38 1ib1 h LYS 120 Ca -0.03 -0.30 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 1ib1 h LYS 120 Cb 1.30 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1ib1 h LYS 120 CO 0.13 0.89 -0.03 1.98 -2.27 0.00 0.00 179.45 180.15 1ib1 h MET 121 N 0.44 0.13 -0.24 1.90 4.05 -0.88 0.35 114.93 120.69 1ib1 h MET 121 Ca 0.07 -0.02 -0.20 0.00 -0.28 0.00 0.00 59.70 59.27 1ib1 h MET 121 Cb 0.70 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.48 1ib1 h MET 121 CO 0.05 0.18 -0.64 -0.22 0.23 0.00 0.00 176.91 176.50 1ib1 h LYS 122 N 0.13 0.85 -0.50 0.39 3.64 -0.70 -2.25 116.57 118.13 1ib1 h LYS 122 Ca 0.03 -0.60 -0.10 0.00 -1.27 0.00 0.00 60.65 58.71 1ib1 h LYS 122 Cb 0.15 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1ib1 h LYS 122 CO 0.01 1.22 -0.10 0.78 -2.27 0.00 0.00 179.45 179.09 1ib1 h GLY 123 N 0.63 0.99 0.63 5.01 0.00 -0.08 -2.64 103.07 107.62 1ib1 h GLY 123 Ca -0.01 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.53 1ib1 h GLY 123 CO 0.14 0.71 -0.43 -0.55 0.00 0.00 0.00 176.54 176.41 1ib1 h ASP 124 N 0.82 -1.16 0.04 0.19 3.32 -0.19 -0.93 116.42 118.52 1ib1 h ASP 124 Ca 0.13 0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 1ib1 h ASP 124 Cb 0.63 0.38 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 1ib1 h ASP 124 CO 0.04 -0.61 -0.16 1.88 -1.72 0.00 0.00 179.24 178.67 1ib1 h TYR 125 N -0.93 0.26 0.00 4.55 -1.99 -1.42 -0.48 116.97 116.97 1ib1 h TYR 125 Ca -0.05 -0.03 -0.09 0.00 2.00 0.00 0.00 58.73 60.55 1ib1 h TYR 125 Cb 0.80 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.44 1ib1 h TYR 125 CO -0.20 0.41 -0.45 1.88 -0.00 0.00 0.00 178.16 179.80 1ib1 h TYR 126 N 0.24 0.00 -0.20 4.88 0.05 -1.33 -0.64 116.97 119.97 1ib1 h TYR 126 Ca 0.05 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 1ib1 h TYR 126 Cb 0.43 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.16 1ib1 h TYR 126 CO 0.01 0.45 -0.09 -0.09 -1.05 0.00 0.00 178.16 177.39 1ib1 h ARG 127 N 0.00 0.42 -0.82 4.88 2.43 0.31 0.29 114.38 121.88 1ib1 h ARG 127 Ca -0.00 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 1ib1 h ARG 127 Cb 0.85 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.35 1ib1 h ARG 127 CO 0.06 0.70 0.45 1.88 -1.51 0.00 0.00 179.97 181.55 1ib1 h TYR 128 N 0.12 1.12 -0.45 2.20 0.05 -1.04 0.13 116.97 119.10 1ib1 h TYR 128 Ca 0.05 -0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.74 1ib1 h TYR 128 Cb 0.57 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 1ib1 h TYR 128 CO 0.06 0.78 0.05 1.25 -1.05 0.00 0.00 178.16 179.25 1ib1 h LEU 129 N 1.14 0.66 -0.96 3.88 5.85 -0.91 -2.44 115.31 122.52 1ib1 h LEU 129 Ca 0.29 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 1ib1 h LEU 129 Cb 0.03 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1ib1 h LEU 129 CO -0.05 0.70 -0.51 0.00 -0.34 0.00 0.00 178.44 178.24 1ib1 h ALA 130 N 1.38 1.13 0.00 1.25 0.00 0.15 -2.22 119.26 120.96 1ib1 h ALA 130 Ca 0.14 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1ib1 h ALA 130 Cb 0.34 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 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 0.00 0.00 -0.00 0.00 5.08 -0.33 -3.00 114.58 116.33 1ib1 h GLU 131 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ib1 h GLU 131 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1ib1 h GLU 131 CO 0.07 0.05 -0.03 1.33 -1.00 0.00 0.00 179.01 179.43 1ib1 n VAL 132 N -3.63 0.00 -2.49 3.13 0.24 -1.11 -5.06 118.33 109.41 1ib1 n VAL 132 Ca -0.02 -0.49 -0.35 0.00 -2.04 0.00 0.00 64.34 61.44 1ib1 n VAL 132 Cb 0.16 1.07 -0.03 0.00 -1.47 0.00 0.00 33.84 33.57 1ib1 n VAL 132 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ib1 s ALA 133 N -0.50 2.88 0.12 2.33 0.00 -0.85 -5.06 121.76 120.68 1ib1 s ALA 133 Ca 0.04 0.66 -0.16 0.00 0.00 0.00 0.00 51.96 52.51 1ib1 s ALA 133 Cb 0.03 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.91 1ib1 s ALA 133 CO 0.07 -0.38 0.40 0.00 0.00 0.00 0.00 175.76 175.84 1ib1 s ALA 134 N -1.89 -0.92 0.00 0.00 0.00 -1.26 -4.84 121.76 112.85 1ib1 s ALA 134 Ca 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.60 1ib1 s ALA 134 Cb -0.19 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.59 1ib1 s ALA 134 CO 0.22 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.77 1ib1 n GLY 135 N -0.15 -0.47 0.06 0.00 0.00 -1.26 -4.21 105.19 99.16 1ib1 n GLY 135 Ca -0.16 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.27 1ib1 n GLY 135 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ib1 n ASP 136 N 0.17 0.67 -0.28 1.61 -0.08 -1.26 -3.93 116.55 113.45 1ib1 n ASP 136 Ca 0.00 0.02 0.11 0.00 -1.51 0.00 0.00 54.79 53.40 1ib1 n ASP 136 Cb 0.00 0.40 0.35 0.00 2.34 0.00 0.00 41.12 44.21 1ib1 n ASP 136 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1ib1 h ASP 137 N 0.00 0.71 0.08 1.67 3.32 -1.99 -3.10 116.42 117.10 1ib1 h ASP 137 Ca 0.00 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.11 1ib1 h ASP 137 Cb 0.75 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.15 1ib1 h ASP 137 CO 0.00 0.37 -0.41 0.50 -1.72 0.00 0.00 179.24 177.98 1ib1 h LYS 138 N 0.76 -0.59 -1.03 3.56 3.64 -1.77 -1.95 116.57 119.19 1ib1 h LYS 138 Ca 0.45 0.04 0.25 0.00 -1.27 0.00 0.00 60.65 60.12 1ib1 h LYS 138 Cb 0.65 0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 32.50 1ib1 h LYS 138 CO -0.21 -0.40 0.65 -0.22 -2.27 0.00 0.00 179.45 177.00 1ib1 h LYS 139 N -0.62 0.45 -0.10 1.90 3.11 -1.80 -0.11 116.57 119.40 1ib1 h LYS 139 Ca 0.03 -0.03 -0.07 0.00 -2.81 0.00 0.00 60.65 57.77 1ib1 h LYS 139 Cb 0.66 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.79 1ib1 h LYS 139 CO -0.26 0.30 -0.22 0.78 -2.81 0.00 0.00 179.45 177.23 1ib1 h GLY 140 N 0.46 0.36 0.95 5.01 0.00 -1.54 -2.96 103.07 105.35 1ib1 h GLY 140 Ca 0.60 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 47.51 1ib1 h GLY 140 CO -0.34 0.39 0.36 -2.22 0.00 0.00 0.00 176.54 174.74 1ib1 h ILE 141 N -0.12 1.11 0.00 2.60 2.04 -0.34 -1.78 117.51 121.02 1ib1 h ILE 141 Ca 0.00 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1ib1 h ILE 141 Cb 0.82 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1ib1 h ILE 141 CO 0.05 0.13 -0.13 0.58 0.00 0.00 0.00 178.15 178.78 1ib1 h VAL 142 N 0.73 0.95 -0.03 1.67 2.07 -1.14 -1.50 116.25 119.00 1ib1 h VAL 142 Ca 0.22 -0.48 -0.13 0.00 0.82 0.00 0.00 66.70 67.12 1ib1 h VAL 142 Cb -0.04 1.27 0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1ib1 h VAL 142 CO -0.07 0.13 -0.49 0.44 0.02 0.00 0.00 177.57 177.60 1ib1 h ASP 143 N 0.00 0.49 -0.65 0.57 3.45 -1.20 -2.53 116.42 116.54 1ib1 h ASP 143 Ca -0.00 -0.72 0.10 0.00 0.43 0.00 0.00 57.03 56.85 1ib1 h ASP 143 Cb 0.26 -0.15 -0.08 0.00 -0.56 0.00 0.00 39.33 38.80 1ib1 h ASP 143 CO 0.02 1.14 0.26 1.56 -1.57 0.00 0.00 179.24 180.64 1ib1 h GLN 144 N -0.11 0.42 0.50 3.56 1.08 -0.69 -0.19 115.11 119.68 1ib1 h GLN 144 Ca -0.05 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1ib1 h GLN 144 Cb 1.18 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 1ib1 h GLN 144 CO 0.10 0.28 -0.24 1.03 -0.95 0.00 0.00 178.83 179.05 1ib1 h SER 145 N 0.44 -0.57 -0.99 1.46 0.87 -1.33 -2.79 113.55 110.64 1ib1 h SER 145 Ca 0.34 -0.04 0.12 0.00 -1.23 0.00 0.00 61.79 60.98 1ib1 h SER 145 Cb 0.43 0.15 -0.08 0.00 -0.44 0.00 0.00 62.40 62.46 1ib1 h SER 145 CO -0.33 -0.32 0.63 -0.61 -0.53 0.00 0.00 176.83 175.67 1ib1 h GLN 146 N -0.80 0.94 -0.08 2.24 4.15 -1.03 -1.26 115.11 119.27 1ib1 h GLN 146 Ca -0.07 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.16 1ib1 h GLN 146 Cb 0.57 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 1ib1 h GLN 146 CO 0.11 0.62 -0.57 1.96 -1.93 0.00 0.00 178.83 179.02 1ib1 h GLN 147 N 0.96 0.25 -0.10 1.69 4.20 -1.01 0.17 115.11 121.27 1ib1 h GLN 147 Ca 0.49 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.92 1ib1 h GLN 147 Cb 0.52 0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.32 1ib1 h GLN 147 CO -0.26 0.75 -0.42 0.00 -0.67 0.00 0.00 178.83 178.23 1ib1 h ALA 148 N 1.22 0.18 -0.42 3.87 0.00 -1.13 -2.21 119.26 120.77 1ib1 h ALA 148 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ib1 h ALA 148 Cb 1.06 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1ib1 h ALA 148 CO 0.09 0.31 0.27 1.88 0.00 0.00 0.00 179.25 181.80 1ib1 h TYR 149 N 0.03 0.54 -0.59 0.00 0.05 -1.15 -1.69 116.97 114.16 1ib1 h TYR 149 Ca -0.03 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 1ib1 h TYR 149 Cb 1.07 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 38.60 1ib1 h TYR 149 CO 0.12 0.35 0.27 0.37 -1.05 0.00 0.00 178.16 178.22 1ib1 h GLN 150 N 0.56 0.85 -0.68 4.88 5.75 -0.68 -0.29 115.11 125.51 1ib1 h GLN 150 Ca 0.15 -0.13 -0.07 0.00 -0.15 0.00 0.00 58.65 58.45 1ib1 h GLN 150 Cb -0.05 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.33 1ib1 h GLN 150 CO -0.03 0.70 0.13 1.49 -2.65 0.00 0.00 178.83 178.47 1ib1 h GLU 151 N 0.80 1.11 -0.63 1.69 4.81 -1.09 -0.26 114.58 121.00 1ib1 h GLU 151 Ca 0.20 -0.28 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 1ib1 h GLU 151 Cb 0.13 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1ib1 h GLU 151 CO -0.02 1.00 0.12 0.00 -0.73 0.00 0.00 179.01 179.38 1ib1 h ALA 152 N 1.06 0.83 -0.53 2.92 0.00 -1.06 -1.63 119.26 120.85 1ib1 h ALA 152 Ca 0.21 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ib1 h ALA 152 Cb 0.41 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1ib1 h ALA 152 CO 0.01 0.58 0.32 0.35 0.00 0.00 0.00 179.25 180.50 1ib1 h PHE 153 N 0.94 0.69 0.40 0.00 3.57 -0.67 0.20 116.94 122.08 1ib1 h PHE 153 Ca 0.19 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1ib1 h PHE 153 Cb 0.41 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1ib1 h PHE 153 CO 0.03 0.48 -0.46 1.49 -2.23 0.00 0.00 178.31 177.62 1ib1 h GLU 154 N 0.71 -0.86 -0.95 1.11 4.57 -0.67 -0.86 114.58 117.63 1ib1 h GLU 154 Ca 0.19 0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.45 1ib1 h GLU 154 Cb -0.01 0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 28.72 1ib1 h GLU 154 CO -0.04 -0.57 0.62 0.82 -1.18 0.00 0.00 179.01 178.67 1ib1 h ILE 155 N -0.89 1.21 -0.22 2.32 2.04 -1.13 -2.79 117.51 118.04 1ib1 h ILE 155 Ca -0.04 -0.43 0.05 0.00 1.00 0.00 0.00 64.86 65.44 1ib1 h ILE 155 Cb 0.80 -0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 1ib1 h ILE 155 CO -0.10 0.23 -0.12 0.28 0.00 0.00 0.00 178.15 178.44 1ib1 h SER 156 N 1.25 -0.39 -0.60 1.72 0.02 -0.17 0.14 113.55 115.53 1ib1 h SER 156 Ca 0.36 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.41 1ib1 h SER 156 Cb -0.08 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 1ib1 h SER 156 CO -0.10 -0.15 0.40 0.11 -1.14 0.00 0.00 176.83 175.95 1ib1 h LYS 157 N -0.10 0.78 0.14 3.45 1.57 -0.91 -0.51 116.57 120.99 1ib1 h LYS 157 Ca 0.12 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.67 1ib1 h LYS 157 Cb 0.28 -0.17 0.02 0.00 0.08 0.00 0.00 32.23 32.43 1ib1 h LYS 157 CO -0.28 0.51 -0.80 0.87 -0.57 0.00 0.00 179.45 179.18 1ib1 h LYS 158 N 0.80 0.30 -0.01 3.15 1.57 -1.16 -3.40 116.57 117.80 1ib1 h LYS 158 Ca 0.22 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 1ib1 h LYS 158 Cb -0.08 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1ib1 h LYS 158 CO -0.05 1.24 -0.26 0.39 -0.57 0.00 0.00 179.45 180.21 1ib1 n GLU 159 N -4.13 1.59 -4.44 3.15 4.71 0.41 -5.01 120.64 116.92 1ib1 n GLU 159 Ca -0.14 -0.99 -0.25 0.00 -0.01 0.00 0.00 57.16 55.77 1ib1 n GLU 159 Cb 0.82 -1.30 -0.13 0.00 -1.01 0.00 0.00 31.44 29.82 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 -1.80 1.24 0.49 3.49 -1.94 -0.20 -4.99 119.30 115.58 1ib1 s MET 160 Ca 0.15 -1.08 -0.21 0.00 -1.71 0.00 0.00 55.69 52.84 1ib1 s MET 160 Cb 0.13 -1.45 -0.07 0.00 2.01 0.00 0.00 34.83 35.45 1ib1 s MET 160 CO 0.36 0.35 1.11 -0.65 -0.01 0.00 0.00 175.02 176.18 1ib1 s GLN 161 N -1.61 3.68 0.46 2.03 -0.21 -1.26 -4.71 119.66 118.05 1ib1 s GLN 161 Ca 0.07 1.59 0.23 0.00 0.02 0.00 0.00 55.36 57.27 1ib1 s GLN 161 Cb -0.10 -2.21 1.24 0.00 1.00 0.00 0.00 33.01 32.95 1ib1 s GLN 161 CO 0.03 -0.57 1.86 -1.35 -2.12 0.00 0.00 175.29 173.14 1ib1 h PRO 162 N 1.70 0.24 -0.05 2.91 0.11 -1.94 0.02 132.00 134.99 1ib1 h PRO 162 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1ib1 h PRO 162 Cb 1.24 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ib1 h PRO 162 CO 0.59 0.16 0.00 0.25 -0.21 0.00 0.00 178.00 178.79 1ib1 n THR 163 N -4.43 0.06 -1.95 -1.15 -2.24 -1.26 -4.53 114.28 98.78 1ib1 n THR 163 Ca 0.20 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 1ib1 n THR 163 Cb 0.82 0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 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 -1.94 2.92 0.45 4.78 5.04 -0.01 -4.57 115.29 121.96 1ib1 s HIS 164 Ca 0.37 0.58 0.21 0.00 -1.54 0.00 0.00 55.06 54.68 1ib1 s HIS 164 Cb 0.19 -3.92 1.20 0.00 0.04 0.00 0.00 32.58 30.09 1ib1 s HIS 164 CO 0.30 -3.45 1.86 -1.35 -2.34 0.00 0.00 174.74 169.76 1ib1 h PRO 165 N 7.18 0.28 0.16 2.88 0.11 -1.91 0.11 132.00 140.81 1ib1 h PRO 165 Ca -0.43 -0.02 -0.29 0.00 0.11 0.00 0.00 66.00 65.37 1ib1 h PRO 165 Cb 1.20 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.26 1ib1 h PRO 165 CO 0.91 0.19 -1.34 0.82 -0.21 0.00 0.00 178.00 178.38 1ib1 h ILE 166 N 0.29 1.41 -0.22 4.15 2.04 -1.96 -1.31 117.51 121.90 1ib1 h ILE 166 Ca 0.47 -2.95 -0.04 0.00 1.00 0.00 0.00 64.86 63.34 1ib1 h ILE 166 Cb 1.34 2.94 -0.01 0.00 -0.74 0.00 0.00 36.82 40.36 1ib1 h ILE 166 CO -0.14 0.87 -0.01 -0.09 0.00 0.00 0.00 178.15 178.78 1ib1 h ARG 167 N 0.09 0.40 -0.73 2.37 2.43 -1.48 -2.36 114.38 115.10 1ib1 h ARG 167 Ca -0.18 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 58.80 1ib1 h ARG 167 Cb 2.02 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 31.51 1ib1 h ARG 167 CO 0.21 0.60 0.23 -0.07 -1.51 0.00 0.00 179.97 179.43 1ib1 h LEU 168 N 0.16 1.06 -0.65 3.80 4.07 -0.93 -2.29 115.31 120.53 1ib1 h LEU 168 Ca 0.06 -0.21 -0.01 0.00 0.08 0.00 0.00 57.88 57.81 1ib1 h LEU 168 Cb 0.42 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.86 1ib1 h LEU 168 CO 0.01 0.99 0.37 1.23 -1.08 0.00 0.00 178.44 179.96 1ib1 h GLY 169 N 1.07 0.95 1.03 0.83 0.00 -1.12 -1.73 103.07 104.10 1ib1 h GLY 169 Ca 0.23 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1ib1 h GLY 169 CO -0.01 0.40 0.56 -2.00 0.00 0.00 0.00 176.54 175.49 1ib1 h LEU 170 N 0.88 1.14 -0.31 3.11 5.85 -1.17 -1.96 115.31 122.85 1ib1 h LEU 170 Ca 0.23 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.93 1ib1 h LEU 170 Cb 0.01 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 1ib1 h LEU 170 CO -0.04 0.88 0.03 0.00 -0.34 0.00 0.00 178.44 178.96 1ib1 h ALA 171 N 1.32 0.30 0.97 1.25 0.00 -0.76 0.17 119.26 122.50 1ib1 h ALA 171 Ca 0.34 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 1ib1 h ALA 171 Cb -0.04 0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ib1 h ALA 171 CO -0.06 -0.38 -0.48 1.25 0.00 0.00 0.00 179.25 179.57 1ib1 h LEU 172 N 0.13 -1.15 -0.85 0.00 5.85 -0.89 -0.47 115.31 117.93 1ib1 h LEU 172 Ca 0.15 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.93 1ib1 h LEU 172 Cb 0.18 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 1ib1 h LEU 172 CO -0.22 -0.80 0.55 0.78 -0.34 0.00 0.00 178.44 178.40 1ib1 h ASN 173 N -1.32 0.93 -0.31 1.25 4.21 -1.28 -1.56 115.58 117.50 1ib1 h ASN 173 Ca -0.13 -0.01 -0.10 0.00 1.21 0.00 0.00 56.30 57.27 1ib1 h ASN 173 Cb 1.02 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.98 1ib1 h ASN 173 CO 0.21 0.65 -0.13 0.15 -1.29 0.00 0.00 177.43 177.02 1ib1 h PHE 174 N 1.09 0.82 -0.14 1.19 3.57 -0.61 -0.79 116.94 122.08 1ib1 h PHE 174 Ca 0.33 -0.16 -0.15 0.00 3.53 0.00 0.00 57.97 61.52 1ib1 h PHE 174 Cb -0.05 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 1ib1 h PHE 174 CO -0.02 0.84 -0.56 0.66 -2.23 0.00 0.00 178.31 177.00 1ib1 h SER 175 N 0.67 0.47 -0.09 0.41 4.64 -0.66 -2.45 113.55 116.54 1ib1 h SER 175 Ca 0.11 -0.25 -0.11 0.00 -0.47 0.00 0.00 61.79 61.07 1ib1 h SER 175 Cb 0.61 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1ib1 h SER 175 CO 0.04 0.93 -0.29 0.58 -0.87 0.00 0.00 176.83 177.22 1ib1 h VAL 176 N 0.32 1.28 -0.50 0.95 2.07 -0.98 0.01 116.25 119.39 1ib1 h VAL 176 Ca 0.00 -1.38 0.02 0.00 0.82 0.00 0.00 66.70 66.17 1ib1 h VAL 176 Cb 1.08 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 1ib1 h VAL 176 CO 0.10 0.44 0.29 0.15 0.02 0.00 0.00 177.57 178.57 1ib1 h PHE 177 N 0.48 0.54 -0.55 1.57 3.57 -0.86 -0.11 116.94 121.59 1ib1 h PHE 177 Ca 0.06 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.49 1ib1 h PHE 177 Cb 0.75 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1ib1 h PHE 177 CO 0.03 0.31 -0.02 1.88 -2.23 0.00 0.00 178.31 178.28 1ib1 h TYR 178 N 0.58 1.07 0.24 0.41 0.05 -1.07 -0.74 116.97 117.51 1ib1 h TYR 178 Ca 0.20 -0.19 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1ib1 h TYR 178 Cb 0.03 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.50 1ib1 h TYR 178 CO -0.07 0.97 -0.12 -0.92 -1.05 0.00 0.00 178.16 176.98 1ib1 h TYR 179 N 0.85 -0.30 0.00 4.88 3.20 -0.38 0.16 116.97 125.37 1ib1 h TYR 179 Ca 0.15 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.90 1ib1 h TYR 179 Cb 0.56 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.91 1ib1 h TYR 179 CO 0.04 0.00 -1.96 -0.85 -1.64 0.00 0.00 178.16 173.76 1ib1 n GLU 180 N -5.11 0.81 -0.01 1.82 0.28 -0.11 -3.13 120.64 115.19 1ib1 n GLU 180 Ca -0.09 -0.11 -0.13 0.00 -0.16 0.00 0.00 57.16 56.67 1ib1 n GLU 180 Cb 0.24 -1.43 -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 -0.89 -0.16 0.00 0.00 177.13 176.08 1ib1 n ILE 181 N -2.32 1.67 0.47 3.84 2.08 -0.39 -4.39 119.36 120.32 1ib1 n ILE 181 Ca -0.13 -0.75 0.07 0.00 0.56 0.00 0.00 62.75 62.51 1ib1 n ILE 181 Cb 0.70 -1.28 -0.10 0.00 -0.75 0.00 0.00 39.64 38.21 1ib1 n ILE 181 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1ib1 n LEU 182 N -3.20 0.47 -3.38 1.39 4.32 -0.60 -5.02 117.00 110.99 1ib1 n LEU 182 Ca -0.23 -0.34 -0.18 0.00 -0.02 0.00 0.00 56.01 55.25 1ib1 n LEU 182 Cb 1.05 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 42.92 1ib1 n LEU 182 CO 0.44 0.12 0.02 0.59 -1.22 0.00 0.00 177.39 177.34 1ib1 n ASN 183 N -1.58 -5.20 -3.36 -1.43 3.02 -0.61 -4.97 115.26 101.12 1ib1 n ASN 183 Ca 0.01 -0.75 -0.26 0.00 -0.03 0.00 0.00 54.58 53.56 1ib1 n ASN 183 Cb 0.29 -4.86 -0.09 0.00 -0.61 0.00 0.00 39.78 34.52 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 -3.12 0.98 -0.13 6.41 7.64 0.45 -4.99 113.62 120.86 1ib1 n SER 184 Ca -0.13 -2.81 -0.04 0.00 1.01 0.00 0.00 58.87 56.90 1ib1 n SER 184 Cb 0.63 -0.64 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 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 4.60 -0.01 -0.18 1.43 0.11 -1.82 -0.09 132.00 136.03 1ib1 h PRO 185 Ca 0.15 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.29 1ib1 h PRO 185 Cb 0.83 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 1ib1 h PRO 185 CO 0.54 -0.01 0.04 1.05 -0.21 0.00 0.00 178.00 179.40 1ib1 h GLU 186 N -0.02 0.11 -0.48 1.05 9.09 -1.96 0.80 114.58 123.17 1ib1 h GLU 186 Ca 0.21 -0.01 -0.12 0.00 0.05 0.00 0.00 59.36 59.50 1ib1 h GLU 186 Cb 0.34 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.40 1ib1 h GLU 186 CO -0.46 0.07 -0.16 -0.22 0.05 0.00 0.00 179.01 178.29 1ib1 h LYS 187 N 0.11 0.93 -0.29 1.06 3.11 -1.90 -1.20 116.57 118.39 1ib1 h LYS 187 Ca 0.08 -0.36 0.02 0.00 -2.81 0.00 0.00 60.65 57.58 1ib1 h LYS 187 Cb 0.07 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.23 1ib1 h LYS 187 CO -0.11 1.01 0.15 0.00 -2.81 0.00 0.00 179.45 177.70 1ib1 h ALA 188 N 0.99 0.36 -0.35 5.00 0.00 -0.67 -1.41 119.26 123.19 1ib1 h ALA 188 Ca 0.12 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1ib1 h ALA 188 Cb 0.70 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1ib1 h ALA 188 CO 0.05 -0.23 -0.14 0.00 0.00 0.00 0.00 179.25 178.93 1ib1 h SER 190 N 0.56 -0.27 -0.27 0.00 0.02 -0.71 0.18 113.55 113.05 1ib1 h SER 190 Ca 0.10 -0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.10 1ib1 h SER 190 Cb 0.56 0.07 -0.08 0.00 0.14 0.00 0.00 62.40 63.10 1ib1 h SER 190 CO 0.04 -0.17 -0.29 0.25 -1.14 0.00 0.00 176.83 175.51 1ib1 h LEU 191 N -0.34 -0.95 -0.01 5.07 7.12 -1.13 0.97 115.31 126.04 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 0.26 0.43 -0.00 0.00 -0.53 0.00 0.00 40.66 40.83 1ib1 h LEU 191 CO 0.05 -0.32 0.00 0.00 -0.13 0.00 0.00 178.44 178.05 1ib1 h ALA 192 N 0.69 0.01 -0.28 1.25 0.00 -1.32 -2.34 119.26 117.28 1ib1 h ALA 192 Ca 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ib1 h ALA 192 Cb 0.51 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1ib1 h ALA 192 CO -0.44 -0.40 0.13 -0.22 0.00 0.00 0.00 179.25 178.32 1ib1 h LYS 193 N -0.16 0.40 -0.09 0.00 3.64 -0.32 -1.47 116.57 118.57 1ib1 h LYS 193 Ca 0.00 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1ib1 h LYS 193 Cb 0.18 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 1ib1 h LYS 193 CO -0.00 0.40 -0.13 1.15 -2.27 0.00 0.00 179.45 178.60 1ib1 h THR 194 N 0.31 0.66 -0.42 1.00 2.02 -0.84 0.11 112.91 115.76 1ib1 h THR 194 Ca 0.09 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.33 1ib1 h THR 194 Cb 0.13 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 1ib1 h THR 194 CO -0.01 0.00 0.13 0.00 0.37 0.00 0.00 175.52 176.01 1ib1 h ALA 195 N 0.87 0.49 0.01 6.16 0.00 -1.27 0.23 119.26 125.74 1ib1 h ALA 195 Ca 0.07 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ib1 h ALA 195 Cb 0.27 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ib1 h ALA 195 CO -0.19 -0.27 -0.00 0.35 0.00 0.00 0.00 179.25 179.14 1ib1 h PHE 196 N 0.28 -0.01 -0.70 0.00 3.57 -0.94 -1.99 116.94 117.16 1ib1 h PHE 196 Ca 0.20 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1ib1 h PHE 196 Cb 0.21 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1ib1 h PHE 196 CO -0.17 0.18 0.45 -0.44 -2.23 0.00 0.00 178.31 176.10 1ib1 h ASP 197 N -0.19 0.82 -0.44 0.41 3.45 -0.46 0.27 116.42 120.27 1ib1 h ASP 197 Ca -0.00 -0.04 -0.08 0.00 0.43 0.00 0.00 57.03 57.34 1ib1 h ASP 197 Cb 0.19 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.73 1ib1 h ASP 197 CO 0.00 0.61 -0.01 -0.33 -1.57 0.00 0.00 179.24 177.94 1ib1 h GLU 198 N 0.95 0.86 -0.25 3.56 5.08 -0.93 0.12 114.58 123.97 1ib1 h GLU 198 Ca 0.25 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1ib1 h GLU 198 Cb -0.08 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1ib1 h GLU 198 CO -0.05 0.87 0.05 0.00 -1.00 0.00 0.00 179.01 178.87 1ib1 h ALA 199 N 1.19 0.33 -0.84 3.43 0.00 -0.85 -1.82 119.26 120.70 1ib1 h ALA 199 Ca 0.15 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ib1 h ALA 199 Cb 0.49 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1ib1 h ALA 199 CO 0.02 0.00 0.56 0.82 0.00 0.00 0.00 179.25 180.65 1ib1 h ILE 200 N 0.23 1.21 0.08 0.00 1.08 -0.63 -1.64 117.51 117.85 1ib1 h ILE 200 Ca 0.08 -0.39 0.01 0.00 -0.39 0.00 0.00 64.86 64.17 1ib1 h ILE 200 Cb 0.31 -0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 34.02 1ib1 h ILE 200 CO 0.00 0.21 -0.17 0.00 -0.69 0.00 0.00 178.15 177.50 1ib1 h ALA 201 N 1.31 -0.27 -0.91 1.87 0.00 -0.45 0.45 119.26 121.27 1ib1 h ALA 201 Ca 0.31 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1ib1 h ALA 201 Cb -0.13 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1ib1 h ALA 201 CO -0.07 -0.69 0.60 1.49 0.00 0.00 0.00 179.25 180.59 1ib1 h GLU 202 N -0.32 1.18 -0.51 0.00 4.81 -1.01 -2.11 114.58 116.62 1ib1 h GLU 202 Ca 0.03 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.06 1ib1 h GLU 202 Cb 0.34 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1ib1 h GLU 202 CO -0.10 0.78 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.71 1ib1 h LEU 203 N 1.22 1.04 0.00 1.64 3.38 -0.93 -2.80 115.31 118.85 1ib1 h LEU 203 Ca 0.34 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ib1 h LEU 203 Cb -0.12 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.34 1ib1 h LEU 203 CO -0.08 1.18 0.00 0.47 0.09 0.00 0.00 178.44 180.11 1ib1 n ASP 204 N -4.12 0.00 0.04 -0.43 8.00 0.12 -1.18 116.55 118.97 1ib1 n ASP 204 Ca 0.01 0.06 0.11 0.00 0.71 0.00 0.00 54.79 55.68 1ib1 n ASP 204 Cb 0.44 -0.09 -0.05 0.00 -0.02 0.00 0.00 41.12 41.41 1ib1 n ASP 204 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1ib1 n THR 205 N -1.09 0.27 -2.85 -3.53 -2.24 -1.06 -5.03 114.28 98.76 1ib1 n THR 205 Ca 0.01 -0.42 -0.01 0.00 -2.27 0.00 0.00 64.05 61.35 1ib1 n THR 205 Cb 0.00 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 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 -2.29 -6.48 -4.31 3.22 4.77 -0.33 -5.05 117.00 106.54 1ib1 n LEU 206 Ca -0.01 0.04 -0.30 0.00 -0.03 0.00 0.00 56.01 55.72 1ib1 n LEU 206 Cb 0.51 -3.08 -0.15 0.00 -2.33 0.00 0.00 43.42 38.37 1ib1 n LEU 206 CO 0.42 -1.22 -0.56 -0.44 -1.33 0.00 0.00 177.39 174.26 1ib1 s SER 207 N -2.80 3.00 0.49 -1.43 0.01 -1.26 -5.00 113.70 106.72 1ib1 s SER 207 Ca 0.04 -0.51 0.26 0.00 1.31 0.00 0.00 55.95 57.06 1ib1 s SER 207 Cb -0.01 -0.31 1.27 0.00 0.21 0.00 0.00 66.02 67.18 1ib1 s SER 207 CO 0.67 0.28 1.99 -0.33 0.41 0.00 0.00 173.24 176.26 1ib1 h GLU 208 N 5.20 0.00 -0.08 12.44 3.07 -1.99 -2.34 114.58 130.87 1ib1 h GLU 208 Ca -0.44 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.27 1ib1 h GLU 208 Cb 1.13 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.03 1ib1 h GLU 208 CO 0.46 0.16 -0.61 0.93 -1.40 0.00 0.00 179.01 178.54 1ib1 h GLU 209 N 0.00 0.30 -5.57 2.33 5.08 -1.99 -3.41 114.58 111.32 1ib1 h GLU 209 Ca -0.00 -0.21 -0.32 0.00 -1.00 0.00 0.00 59.36 57.83 1ib1 h GLU 209 Cb 0.48 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ib1 h GLU 209 CO 0.02 0.82 1.09 -1.12 -1.00 0.00 0.00 179.01 178.82 1ib1 s SER 210 N -6.91 4.35 0.00 1.42 0.01 -0.88 -4.86 113.70 106.82 1ib1 s SER 210 Ca -0.05 0.65 -0.00 0.00 1.31 0.00 0.00 55.95 57.86 1ib1 s SER 210 Cb 0.12 -2.52 -0.00 0.00 0.21 0.00 0.00 66.02 63.83 1ib1 s SER 210 CO 0.81 -3.15 0.02 -1.22 0.41 0.00 0.00 173.24 170.10 1ib1 n TYR 211 N 16.48 -0.00 -0.76 2.43 4.02 -1.26 -4.83 117.16 133.23 1ib1 n TYR 211 Ca 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.28 1ib1 n TYR 211 Cb 0.51 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 1ib1 n TYR 211 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1ib1 n LYS 212 N -2.37 -0.34 0.00 -0.72 5.02 -1.26 -4.75 118.16 113.75 1ib1 n LYS 212 Ca 0.00 0.09 -0.05 0.00 -2.02 0.00 0.00 58.31 56.32 1ib1 n LYS 212 Cb 0.00 -3.93 -0.11 0.00 -0.02 0.00 0.00 35.03 30.96 1ib1 n LYS 212 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1ib1 h ASP 213 N 0.00 0.00 -0.49 4.39 3.32 -1.88 -3.38 116.42 118.38 1ib1 h ASP 213 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1ib1 h ASP 213 Cb 0.17 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.64 1ib1 h ASP 213 CO 0.00 0.84 0.18 -1.54 -1.72 0.00 0.00 179.24 177.00 1ib1 n SER 214 N -3.00 3.85 -0.24 6.45 3.41 -1.26 -4.63 113.62 118.18 1ib1 n SER 214 Ca -0.13 -2.79 0.05 0.00 -0.26 0.00 0.00 58.87 55.73 1ib1 n SER 214 Cb 0.96 -0.66 0.17 0.00 -0.26 0.00 0.00 64.21 64.42 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 1.78 0.53 0.02 6.66 2.02 -1.95 -2.30 112.91 119.68 1ib1 h THR 215 Ca 0.18 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.27 1ib1 h THR 215 Cb 1.79 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1ib1 h THR 215 CO 0.49 0.05 -0.04 0.25 0.37 0.00 0.00 175.52 176.64 1ib1 h LEU 216 N 0.27 -0.12 -2.54 2.58 5.85 -1.95 -0.69 115.31 118.71 1ib1 h LEU 216 Ca 0.40 0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.15 1ib1 h LEU 216 Cb 0.68 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 1ib1 h LEU 216 CO -0.50 -0.07 0.05 0.40 -0.34 0.00 0.00 178.44 177.98 1ib1 h ILE 217 N -0.09 0.38 0.20 4.05 2.04 -1.79 0.14 117.51 122.44 1ib1 h ILE 217 Ca 0.01 0.00 -0.31 0.00 1.00 0.00 0.00 64.86 65.57 1ib1 h ILE 217 Cb 0.10 0.96 0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1ib1 h ILE 217 CO -0.03 0.00 -1.42 0.24 0.00 0.00 0.00 178.15 176.94 1ib1 h MET 218 N 0.00 0.42 -0.79 2.37 2.86 -0.93 -2.41 114.93 116.46 1ib1 h MET 218 Ca 0.01 -0.72 -0.03 0.00 -2.06 0.00 0.00 59.70 56.91 1ib1 h MET 218 Cb 0.11 0.27 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 1ib1 h MET 218 CO -0.00 1.34 0.36 1.96 1.06 0.00 0.00 176.91 181.64 1ib1 h GLN 219 N -0.02 1.14 -0.75 1.72 1.08 0.30 -0.77 115.11 117.81 1ib1 h GLN 219 Ca -0.27 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 56.76 1ib1 h GLN 219 Cb 2.00 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 29.19 1ib1 h GLN 219 CO 0.20 0.89 0.45 -0.07 -0.95 0.00 0.00 178.83 179.34 1ib1 h LEU 220 N 1.13 0.90 -0.21 1.46 4.07 -0.85 0.28 115.31 122.09 1ib1 h LEU 220 Ca 0.27 -0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.15 1ib1 h LEU 220 Cb 0.13 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 1ib1 h LEU 220 CO -0.03 0.70 0.07 -0.07 -1.08 0.00 0.00 178.44 178.03 1ib1 h LEU 221 N 1.02 0.30 -0.95 1.67 3.38 -0.83 -2.26 115.31 117.65 1ib1 h LEU 221 Ca 0.27 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1ib1 h LEU 221 Cb -0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1ib1 h LEU 221 CO -0.05 0.41 -0.22 0.08 0.09 0.00 0.00 178.44 178.75 1ib1 h ARG 222 N 0.16 0.51 -0.55 1.13 0.11 -0.79 -1.75 114.38 113.20 1ib1 h ARG 222 Ca 0.07 -0.18 -0.00 0.00 0.10 0.00 0.00 59.98 59.96 1ib1 h ARG 222 Cb 0.22 -0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.24 1ib1 h ARG 222 CO -0.00 0.70 0.34 -0.44 0.10 0.00 0.00 179.97 180.67 1ib1 h ASP 223 N 0.45 0.65 -0.75 0.08 5.19 -0.82 0.18 116.42 121.40 1ib1 h ASP 223 Ca 0.07 -0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 1ib1 h ASP 223 Cb 0.64 -0.16 -0.04 0.00 0.18 0.00 0.00 39.33 39.95 1ib1 h ASP 223 CO 0.05 0.50 0.34 0.78 -3.12 0.00 0.00 179.24 177.79 1ib1 h ASN 224 N 0.74 1.01 0.04 6.45 4.21 -1.04 0.11 115.58 127.10 1ib1 h ASN 224 Ca 0.20 -0.13 -0.00 0.00 1.21 0.00 0.00 56.30 57.58 1ib1 h ASN 224 Cb -0.04 -0.26 0.00 0.00 -1.12 0.00 0.00 38.32 36.90 1ib1 h ASN 224 CO -0.04 0.87 -0.02 -0.07 -1.29 0.00 0.00 177.43 176.88 1ib1 h LEU 225 N 1.10 -0.05 -1.03 1.61 4.07 -0.41 0.49 115.31 121.09 1ib1 h LEU 225 Ca 0.26 -0.14 0.11 0.00 0.08 0.00 0.00 57.88 58.19 1ib1 h LEU 225 Cb 0.15 0.01 -0.08 0.00 1.08 0.00 0.00 40.66 41.82 1ib1 h LEU 225 CO -0.03 0.11 0.63 0.74 -1.08 0.00 0.00 178.44 178.82 1ib1 h THR 226 N -0.21 0.94 -0.31 0.22 2.02 -0.28 -0.68 112.91 114.61 1ib1 h THR 226 Ca -0.01 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.80 1ib1 h THR 226 Cb 0.19 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 1ib1 h THR 226 CO 0.01 0.18 0.08 0.25 0.37 0.00 0.00 175.52 176.41 1ib1 h LEU 227 N 1.01 0.47 -0.91 2.58 5.85 -0.35 -3.51 115.31 120.45 1ib1 h LEU 227 Ca 0.48 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1ib1 h LEU 227 Cb 0.45 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1ib1 h LEU 227 CO -0.25 0.57 0.00 0.79 -0.34 0.00 0.00 178.44 179.22