#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 0.23 0.23 -0.67 3.64 -1.99 -2.16 116.57 115.85 1ib1 h LYS 3 Ca 0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1ib1 h LYS 3 Cb 0.00 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1ib1 h LYS 3 CO 0.00 0.15 -0.11 -0.91 -2.27 0.00 0.00 179.45 176.31 1ib1 h ASN 4 N 0.24 -0.26 -0.78 4.20 -0.26 -2.03 -2.15 115.58 114.54 1ib1 h ASN 4 Ca 0.22 -0.03 0.16 0.00 -0.56 0.00 0.00 56.30 56.09 1ib1 h ASN 4 Cb 0.27 0.07 -0.10 0.00 -1.06 0.00 0.00 38.32 37.50 1ib1 h ASN 4 CO -0.28 -0.14 0.29 -0.33 -1.06 0.00 0.00 177.43 175.91 1ib1 h GLU 5 N -0.36 0.39 -0.82 0.81 5.08 -1.93 0.28 114.58 118.04 1ib1 h GLU 5 Ca -0.03 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1ib1 h GLU 5 Cb 0.27 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1ib1 h GLU 5 CO 0.05 0.26 0.46 -0.07 -1.00 0.00 0.00 179.01 178.71 1ib1 h LEU 6 N 0.40 1.01 -0.35 1.33 4.07 -1.15 0.24 115.31 120.86 1ib1 h LEU 6 Ca 0.44 -0.09 -0.18 0.00 0.08 0.00 0.00 57.88 58.13 1ib1 h LEU 6 Cb 0.71 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 42.19 1ib1 h LEU 6 CO -0.45 0.80 -0.49 0.58 -1.08 0.00 0.00 178.44 177.80 1ib1 h VAL 7 N 1.13 1.28 -0.36 1.22 2.07 -0.32 0.61 116.25 121.87 1ib1 h VAL 7 Ca 0.29 -1.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.10 1ib1 h VAL 7 Cb 0.01 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1ib1 h VAL 7 CO -0.05 0.55 0.10 1.56 0.02 0.00 0.00 177.57 179.75 1ib1 h GLN 8 N 0.69 0.56 -0.02 1.57 7.50 -0.20 -0.06 115.11 125.15 1ib1 h GLN 8 Ca 0.03 -0.13 -0.10 0.00 0.50 0.00 0.00 58.65 58.96 1ib1 h GLN 8 Cb 1.09 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 28.53 1ib1 h GLN 8 CO 0.11 0.59 -0.44 -0.22 -1.50 0.00 0.00 178.83 177.37 1ib1 h LYS 9 N 0.43 0.05 -0.36 1.46 3.64 -0.47 -2.16 116.57 119.16 1ib1 h LYS 9 Ca 0.11 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 1ib1 h LYS 9 Cb 0.27 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1ib1 h LYS 9 CO -0.00 0.48 -0.26 0.00 -2.27 0.00 0.00 179.45 177.41 1ib1 h ALA 10 N 1.51 0.51 0.00 5.00 0.00 -0.40 0.96 119.26 126.85 1ib1 h ALA 10 Ca 0.00 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1ib1 h ALA 10 Cb 0.80 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1ib1 h ALA 10 CO 0.06 0.51 -0.28 0.87 0.00 0.00 0.00 179.25 180.41 1ib1 h LYS 11 N 0.59 0.00 -0.04 0.00 1.57 -0.86 -1.89 116.57 115.95 1ib1 h LYS 11 Ca 0.07 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1ib1 h LYS 11 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1ib1 h LYS 11 CO 0.07 0.28 -0.27 1.25 -0.57 0.00 0.00 179.45 180.21 1ib1 h LEU 12 N 0.00 0.30 -1.51 2.94 5.85 -1.02 -3.06 115.31 118.81 1ib1 h LEU 12 Ca -0.00 -0.69 -0.04 0.00 0.84 0.00 0.00 57.88 57.98 1ib1 h LEU 12 Cb 0.65 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1ib1 h LEU 12 CO 0.04 0.94 -0.15 0.00 -0.34 0.00 0.00 178.44 178.93 1ib1 h ALA 13 N 0.36 1.60 -0.60 1.25 0.00 -0.57 -0.23 119.26 121.06 1ib1 h ALA 13 Ca -0.02 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1ib1 h ALA 13 Cb 0.95 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1ib1 h ALA 13 CO 0.05 0.30 0.05 1.49 0.00 0.00 0.00 179.25 181.14 1ib1 h GLU 14 N 0.12 1.02 -0.02 0.00 4.81 -1.35 0.17 114.58 119.34 1ib1 h GLU 14 Ca 0.03 -0.30 -0.19 0.00 -0.13 0.00 0.00 59.36 58.76 1ib1 h GLU 14 Cb 0.35 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1ib1 h GLU 14 CO 0.02 0.98 -0.82 1.96 -0.73 0.00 0.00 179.01 180.42 1ib1 h GLN 15 N 0.93 0.26 0.00 1.92 4.20 -1.32 -2.65 115.11 118.44 1ib1 h GLN 15 Ca 0.18 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1ib1 h GLN 15 Cb 0.49 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1ib1 h GLN 15 CO 0.02 0.95 0.00 0.00 -0.67 0.00 0.00 178.83 179.13 1ib1 n ALA 16 N -2.48 2.16 -2.06 3.87 0.00 -0.15 -4.88 120.51 116.98 1ib1 n ALA 16 Ca -0.04 -0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.15 1ib1 n ALA 16 Cb 0.77 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.32 -1.13 -3.31 0.00 1.02 -0.30 -4.95 120.64 110.65 1ib1 n GLU 17 Ca 0.10 0.79 -0.37 0.00 -0.02 0.00 0.00 57.16 57.65 1ib1 n GLU 17 Cb 0.20 -5.05 -0.03 0.00 -0.02 0.00 0.00 31.44 26.53 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 -2.45 3.43 0.29 3.49 1.74 0.44 -4.89 116.66 118.70 1ib1 n ARG 18 Ca -0.17 -4.56 0.14 0.00 -0.77 0.00 0.00 57.85 52.50 1ib1 n ARG 18 Cb 0.59 -2.43 0.85 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 5.39 0.00 -0.05 -1.55 0.05 -1.92 -1.80 116.97 117.09 1ib1 h TYR 19 Ca 0.19 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.87 1ib1 h TYR 19 Cb 0.70 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.43 1ib1 h TYR 19 CO 0.84 0.04 -0.43 -0.44 -1.05 0.00 0.00 178.16 177.11 1ib1 h ASP 20 N 0.00 0.11 -0.03 3.88 3.32 -1.90 -0.27 116.42 121.54 1ib1 h ASP 20 Ca -0.00 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 1ib1 h ASP 20 Cb 0.10 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.62 1ib1 h ASP 20 CO 0.00 0.53 -0.30 0.44 -1.72 0.00 0.00 179.24 178.20 1ib1 h ASP 21 N 0.09 0.30 -1.00 6.45 3.32 -1.74 -2.59 116.42 121.25 1ib1 h ASP 21 Ca 0.01 -0.72 0.11 0.00 0.02 0.00 0.00 57.03 56.44 1ib1 h ASP 21 Cb 0.80 -0.09 -0.08 0.00 0.22 0.00 0.00 39.33 40.18 1ib1 h ASP 21 CO 0.06 0.98 0.64 -0.03 -1.72 0.00 0.00 179.24 179.16 1ib1 h MET 22 N -0.34 1.01 -0.29 3.56 4.05 -1.15 -1.03 114.93 120.74 1ib1 h MET 22 Ca -0.03 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.27 1ib1 h MET 22 Cb 1.00 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 31.56 1ib1 h MET 22 CO 0.06 0.67 -0.06 0.00 0.23 0.00 0.00 176.91 177.81 1ib1 h ALA 23 N 1.52 0.40 -0.81 0.39 0.00 -1.05 -2.16 119.26 117.54 1ib1 h ALA 23 Ca 0.48 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1ib1 h ALA 23 Cb 0.41 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1ib1 h ALA 23 CO -0.24 0.20 0.51 0.00 0.00 0.00 0.00 179.25 179.72 1ib1 h ALA 24 N 0.79 1.09 -0.02 0.00 0.00 -0.92 0.27 119.26 120.46 1ib1 h ALA 24 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ib1 h ALA 24 Cb 0.53 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ib1 h ALA 24 CO 0.03 0.29 0.01 0.00 0.00 0.00 0.00 179.25 179.57 1ib1 h MET 26 N -0.09 0.00 -0.15 0.00 2.86 -0.87 -1.75 114.93 114.94 1ib1 h MET 26 Ca 0.01 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 1ib1 h MET 26 Cb 0.13 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 1ib1 h MET 26 CO -0.00 0.21 -0.63 -0.22 1.06 0.00 0.00 176.91 177.33 1ib1 h LYS 27 N 0.00 0.53 -0.27 1.72 3.64 -0.25 -2.00 116.57 119.94 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 0.57 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1ib1 h LYS 27 CO 0.03 0.99 -0.25 0.77 -2.27 0.00 0.00 179.45 178.72 1ib1 h SER 28 N 0.39 0.69 -0.63 4.20 0.02 -0.77 -1.69 113.55 115.75 1ib1 h SER 28 Ca -0.01 -0.46 0.02 0.00 -0.84 0.00 0.00 61.79 60.49 1ib1 h SER 28 Cb 1.20 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.51 1ib1 h SER 28 CO 0.12 1.01 0.40 0.58 -1.14 0.00 0.00 176.83 177.80 1ib1 h VAL 29 N 0.38 1.12 -0.39 2.27 2.07 -1.30 -1.11 116.25 119.30 1ib1 h VAL 29 Ca 0.05 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1ib1 h VAL 29 Cb 0.81 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1ib1 h VAL 29 CO 0.06 0.15 0.05 0.74 0.02 0.00 0.00 177.57 178.59 1ib1 h THR 30 N 0.81 1.19 0.00 2.57 2.02 -1.27 -2.54 112.91 115.70 1ib1 h THR 30 Ca 0.24 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1ib1 h THR 30 Cb -0.04 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1ib1 h THR 30 CO -0.08 0.26 0.00 -0.62 0.37 0.00 0.00 175.52 175.45 1ib1 n GLU 31 N -4.30 0.53 -0.24 6.66 1.02 -0.43 -2.18 120.64 121.69 1ib1 n GLU 31 Ca 0.02 0.03 0.05 0.00 -0.02 0.00 0.00 57.16 57.24 1ib1 n GLU 31 Cb 0.22 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.32 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 -1.07 2.08 -0.63 3.49 6.02 -0.96 -4.92 117.38 121.40 1ib1 n GLN 32 Ca 0.13 -1.39 0.00 0.00 -0.01 0.00 0.00 57.00 55.73 1ib1 n GLN 32 Cb 0.08 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 29.94 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 0.94 0.08 3.84 1.08 0.00 -0.93 -4.97 105.19 105.23 1ib1 n GLY 33 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.23 3.62 0.26 4.61 0.00 -1.26 -5.03 121.76 122.73 1ib1 s ALA 34 Ca 0.00 -0.13 -0.31 0.00 0.00 0.00 0.00 51.96 51.52 1ib1 s ALA 34 Cb 0.00 -2.50 -0.11 0.00 0.00 0.00 0.00 23.12 20.51 1ib1 s ALA 34 CO 0.00 0.46 1.63 -2.00 0.00 0.00 0.00 175.76 175.85 1ib1 s GLU 35 N -1.61 4.12 0.38 0.00 2.12 -1.26 -4.87 118.70 117.59 1ib1 s GLU 35 Ca 0.33 2.58 -0.25 0.00 0.36 0.00 0.00 54.97 57.99 1ib1 s GLU 35 Cb -0.16 -3.04 -0.09 0.00 0.26 0.00 0.00 34.13 31.09 1ib1 s GLU 35 CO 0.18 -0.67 1.03 -0.51 -0.54 0.00 0.00 175.26 174.75 1ib1 s LEU 36 N 0.08 4.19 0.87 2.70 1.02 -1.26 -5.05 118.68 121.22 1ib1 s LEU 36 Ca 0.67 2.01 -0.12 0.00 0.02 0.00 0.00 54.13 56.71 1ib1 s LEU 36 Cb -0.48 -4.14 0.11 0.00 0.02 0.00 0.00 46.19 41.70 1ib1 s LEU 36 CO 0.42 -0.41 1.13 -0.94 0.02 0.00 0.00 176.35 176.58 1ib1 s SER 37 N -1.55 3.92 0.36 2.29 1.04 -1.26 -4.76 113.70 113.74 1ib1 s SER 37 Ca 0.56 1.03 0.04 0.00 0.48 0.00 0.00 55.95 58.06 1ib1 s SER 37 Cb -0.22 -1.64 0.71 0.00 0.10 0.00 0.00 66.02 64.97 1ib1 s SER 37 CO 0.27 -2.30 2.00 0.78 0.98 0.00 0.00 173.24 174.97 1ib1 h ASN 38 N -1.32 0.67 0.02 7.02 2.35 -1.98 0.37 115.58 122.70 1ib1 h ASN 38 Ca -0.49 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.25 1ib1 h ASN 38 Cb 1.31 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.53 1ib1 h ASN 38 CO 0.62 0.47 -0.01 -0.08 -1.65 0.00 0.00 177.43 176.78 1ib1 h GLU 39 N 0.78 -0.02 -0.40 0.81 4.81 -2.00 -0.80 114.58 117.76 1ib1 h GLU 39 Ca 0.25 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1ib1 h GLU 39 Cb 0.03 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1ib1 h GLU 39 CO -0.06 0.23 0.22 0.93 -0.73 0.00 0.00 179.01 179.59 1ib1 h GLU 40 N -0.27 0.55 -0.30 1.92 5.08 -1.79 -0.72 114.58 119.05 1ib1 h GLU 40 Ca -0.00 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1ib1 h GLU 40 Cb 0.26 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1ib1 h GLU 40 CO 0.00 0.41 0.01 -0.09 -1.00 0.00 0.00 179.01 178.34 1ib1 h ARG 41 N 0.56 0.51 -0.45 2.33 2.43 -0.60 -0.91 114.38 118.25 1ib1 h ARG 41 Ca 0.14 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1ib1 h ARG 41 Cb 0.02 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1ib1 h ARG 41 CO -0.02 0.65 0.18 -0.97 -1.51 0.00 0.00 179.97 178.30 1ib1 h ASN 42 N 0.31 0.62 -0.84 -3.80 -0.73 -0.58 -1.09 115.58 109.47 1ib1 h ASN 42 Ca 0.09 -0.17 0.04 0.00 1.87 0.00 0.00 56.30 58.13 1ib1 h ASN 42 Cb 0.41 -0.16 -0.05 0.00 0.27 0.00 0.00 38.32 38.79 1ib1 h ASN 42 CO 0.01 0.62 0.54 -0.07 -0.37 0.00 0.00 177.43 178.16 1ib1 h LEU 43 N 0.59 0.89 -0.33 0.34 4.07 -0.97 0.17 115.31 120.06 1ib1 h LEU 43 Ca 0.15 -0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.04 1ib1 h LEU 43 Cb 0.19 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1ib1 h LEU 43 CO -0.01 0.60 -0.06 0.25 -1.08 0.00 0.00 178.44 178.14 1ib1 h LEU 44 N 1.04 0.63 -0.40 1.67 5.85 -0.84 -0.73 115.31 122.52 1ib1 h LEU 44 Ca 0.34 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1ib1 h LEU 44 Cb 0.03 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1ib1 h LEU 44 CO -0.12 0.84 0.17 -1.28 -0.34 0.00 0.00 178.44 177.71 1ib1 h SER 45 N 0.41 0.55 -0.39 1.25 0.87 -0.76 -2.42 113.55 113.06 1ib1 h SER 45 Ca 0.09 -0.15 -0.13 0.00 -1.23 0.00 0.00 61.79 60.37 1ib1 h SER 45 Cb 0.55 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1ib1 h SER 45 CO 0.03 0.55 -0.25 0.58 -0.53 0.00 0.00 176.83 177.21 1ib1 h VAL 46 N 0.51 1.28 0.56 2.23 2.07 -0.67 0.59 116.25 122.82 1ib1 h VAL 46 Ca 0.14 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 1ib1 h VAL 46 Cb 0.16 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1ib1 h VAL 46 CO -0.01 0.47 -0.40 0.00 0.02 0.00 0.00 177.57 177.65 1ib1 h ALA 47 N 0.80 -0.96 -0.49 1.67 0.00 -1.06 -2.06 119.26 117.16 1ib1 h ALA 47 Ca 0.08 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1ib1 h ALA 47 Cb 0.82 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1ib1 h ALA 47 CO 0.07 -1.06 -0.09 1.88 0.00 0.00 0.00 179.25 180.04 1ib1 h TYR 48 N -0.92 0.97 -0.57 0.00 0.05 -1.45 -0.38 116.97 114.67 1ib1 h TYR 48 Ca -0.06 -0.18 0.01 0.00 0.05 0.00 0.00 58.73 58.54 1ib1 h TYR 48 Cb 0.77 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 38.23 1ib1 h TYR 48 CO -0.14 0.93 0.38 -0.22 -1.05 0.00 0.00 178.16 178.05 1ib1 h LYS 49 N 0.80 0.74 0.01 4.88 1.63 -0.81 -0.04 116.57 123.78 1ib1 h LYS 49 Ca 0.13 -0.04 -0.12 0.00 -0.85 0.00 0.00 60.65 59.77 1ib1 h LYS 49 Cb 0.61 -0.17 0.01 0.00 -0.60 0.00 0.00 32.23 32.08 1ib1 h LYS 49 CO 0.04 0.49 -0.47 -0.91 -3.45 0.00 0.00 179.45 175.15 1ib1 h ASN 50 N 0.76 0.39 -0.66 4.20 2.35 -0.88 -1.62 115.58 120.11 1ib1 h ASN 50 Ca 0.21 -0.80 0.02 0.00 -0.55 0.00 0.00 56.30 55.18 1ib1 h ASN 50 Cb -0.07 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.14 1ib1 h ASN 50 CO -0.05 1.14 0.43 0.58 -1.65 0.00 0.00 177.43 177.88 1ib1 h VAL 51 N -0.32 1.13 0.17 2.81 2.07 -0.68 -2.33 116.25 119.11 1ib1 h VAL 51 Ca -0.06 -0.29 -0.31 0.00 0.82 0.00 0.00 66.70 66.85 1ib1 h VAL 51 Cb 1.22 0.20 0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1ib1 h VAL 51 CO 0.09 0.16 -1.33 1.62 0.02 0.00 0.00 177.57 178.12 1ib1 h VAL 52 N 0.85 1.31 -0.95 2.57 3.04 -1.12 -3.29 116.25 118.67 1ib1 h VAL 52 Ca 0.25 -2.63 0.10 0.00 -1.01 0.00 0.00 66.70 63.42 1ib1 h VAL 52 Cb -0.04 2.86 -0.07 0.00 -2.01 0.00 0.00 31.29 32.02 1ib1 h VAL 52 CO -0.08 0.79 0.61 1.23 -1.01 0.00 0.00 177.57 179.11 1ib1 h GLY 53 N 0.43 1.45 0.63 3.17 0.00 -1.15 0.20 103.07 107.81 1ib1 h GLY 53 Ca -0.21 -0.40 0.04 0.00 0.00 0.00 0.00 47.33 46.76 1ib1 h GLY 53 CO 0.25 0.20 0.01 0.00 0.00 0.00 0.00 176.54 177.00 1ib1 h ALA 54 N 1.54 0.22 -0.41 3.60 0.00 -1.49 -0.56 119.26 122.16 1ib1 h ALA 54 Ca 0.45 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.30 1ib1 h ALA 54 Cb 0.43 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1ib1 h ALA 54 CO -0.21 -0.41 -0.26 0.00 0.00 0.00 0.00 179.25 178.37 1ib1 h ARG 55 N 0.09 0.87 -0.72 0.00 -0.00 -1.34 -2.32 114.38 110.95 1ib1 h ARG 55 Ca 0.12 -0.38 0.01 0.00 -0.50 0.00 0.00 59.98 59.23 1ib1 h ARG 55 Cb 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 29.97 30.05 1ib1 h ARG 55 CO -0.19 1.02 0.48 0.00 0.00 0.00 0.00 179.97 181.28 1ib1 h ARG 56 N 0.74 0.94 -0.15 0.04 3.08 -0.60 0.41 114.38 118.85 1ib1 h ARG 56 Ca 0.09 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1ib1 h ARG 56 Cb 0.81 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1ib1 h ARG 56 CO 0.07 0.62 0.08 1.03 -1.07 0.00 0.00 179.97 180.70 1ib1 h SER 57 N 0.97 0.19 -0.26 7.04 0.87 -0.94 -1.03 113.55 120.39 1ib1 h SER 57 Ca 0.27 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1ib1 h SER 57 Cb -0.10 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 1ib1 h SER 57 CO -0.06 0.25 0.13 0.28 -0.53 0.00 0.00 176.83 176.89 1ib1 h SER 58 N 0.12 0.37 0.26 6.23 0.02 -1.07 -2.50 113.55 116.99 1ib1 h SER 58 Ca 0.05 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1ib1 h SER 58 Cb 0.10 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1ib1 h SER 58 CO -0.01 0.34 -0.12 -0.25 -1.14 0.00 0.00 176.83 175.65 1ib1 h TRP 59 N 0.42 -0.32 -0.73 3.45 7.01 -0.21 -1.89 115.95 123.68 1ib1 h TRP 59 Ca 0.11 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.23 1ib1 h TRP 59 Cb 0.07 0.11 -0.09 0.00 -2.10 0.00 0.00 29.16 27.15 1ib1 h TRP 59 CO 0.00 0.00 0.29 0.00 -2.79 0.00 0.00 178.44 175.95 1ib1 h ARG 60 N -0.67 0.44 -0.17 2.65 3.08 -0.96 0.43 114.38 119.18 1ib1 h ARG 60 Ca -0.04 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1ib1 h ARG 60 Cb 0.47 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1ib1 h ARG 60 CO 0.06 0.29 -0.09 -0.24 -1.07 0.00 0.00 179.97 178.91 1ib1 h VAL 61 N 0.45 1.32 0.00 2.04 3.04 -1.43 -1.49 116.25 120.18 1ib1 h VAL 61 Ca 0.40 -1.16 -0.06 0.00 -1.01 0.00 0.00 66.70 64.87 1ib1 h VAL 61 Cb 0.57 1.73 -0.01 0.00 -2.01 0.00 0.00 31.29 31.57 1ib1 h VAL 61 CO -0.38 0.34 -0.27 1.62 -1.01 0.00 0.00 177.57 177.87 1ib1 h VAL 62 N 0.03 0.99 -0.10 1.51 3.04 -0.90 -0.63 116.25 120.19 1ib1 h VAL 62 Ca 0.04 -1.00 -0.09 0.00 -1.01 0.00 0.00 66.70 64.64 1ib1 h VAL 62 Cb 0.58 1.57 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 1ib1 h VAL 62 CO 0.03 0.27 -0.28 0.28 -1.01 0.00 0.00 177.57 176.85 1ib1 h SER 63 N 0.00 0.43 -0.04 3.17 0.02 -0.83 -1.20 113.55 115.09 1ib1 h SER 63 Ca -0.00 -0.59 0.01 0.00 -0.84 0.00 0.00 61.79 60.37 1ib1 h SER 63 Cb 0.55 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1ib1 h SER 63 CO 0.04 0.94 -0.04 -1.28 -1.14 0.00 0.00 176.83 175.34 1ib1 h SER 64 N -0.07 -0.14 -0.68 3.07 0.87 -0.85 -0.15 113.55 115.61 1ib1 h SER 64 Ca -0.01 0.03 0.08 0.00 -1.23 0.00 0.00 61.79 60.66 1ib1 h SER 64 Cb 0.89 0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.86 1ib1 h SER 64 CO 0.06 -0.07 0.34 0.40 -0.53 0.00 0.00 176.83 177.04 1ib1 h ILE 65 N -0.06 0.89 0.72 2.23 2.04 -1.14 -2.23 117.51 119.95 1ib1 h ILE 65 Ca 0.03 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 1ib1 h ILE 65 Cb 0.11 0.23 0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1ib1 h ILE 65 CO -0.08 0.11 -0.34 -0.08 0.00 0.00 0.00 178.15 177.76 1ib1 h GLU 66 N 0.61 -0.93 -0.36 2.37 4.81 -0.44 -2.63 114.58 118.00 1ib1 h GLU 66 Ca 0.32 0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.69 1ib1 h GLU 66 Cb 0.29 0.21 -0.08 0.00 0.63 0.00 0.00 28.75 29.80 1ib1 h GLU 66 CO -0.24 -0.62 -0.22 1.96 -0.73 0.00 0.00 179.01 179.17 1ib1 h GLN 67 N -0.97 -0.16 0.00 1.92 7.50 -0.89 -1.21 115.11 121.30 1ib1 h GLN 67 Ca -0.10 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.06 1ib1 h GLN 67 Cb 0.74 0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.31 1ib1 h GLN 67 CO 0.16 -0.10 0.00 1.63 -1.50 0.00 0.00 178.83 179.02 1ib1 n LYS 68 N -5.38 0.40 -2.37 1.46 5.02 -0.85 -4.63 118.16 111.81 1ib1 n LYS 68 Ca 0.01 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.90 1ib1 n LYS 68 Cb 0.29 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 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 -2.00 3.63 0.71 -0.18 2.01 -0.46 -4.98 115.64 114.37 1ib1 s THR 69 Ca 0.15 0.41 -0.11 0.00 0.31 0.00 0.00 61.69 62.44 1ib1 s THR 69 Cb 0.07 -4.53 0.02 0.00 0.01 0.00 0.00 72.50 68.07 1ib1 s THR 69 CO 0.11 -1.43 1.08 -1.61 -0.69 0.00 0.00 174.62 172.08 1ib1 s GLU 70 N 6.06 2.83 0.76 4.92 2.02 -1.26 -4.79 118.70 129.24 1ib1 s GLU 70 Ca 0.48 0.66 0.00 0.00 0.02 0.00 0.00 54.97 56.14 1ib1 s GLU 70 Cb -0.10 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.13 1ib1 s GLU 70 CO 0.19 -1.10 0.00 0.41 0.02 0.00 0.00 175.26 174.77 1ib1 n GLY 71 N -2.52 -1.15 3.72 -1.39 0.00 -1.26 -4.94 105.19 97.65 1ib1 n GLY 71 Ca 0.07 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.98 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 1.01 1.41 0.30 4.61 0.00 -1.26 -4.87 120.51 121.72 1ib1 n ALA 72 Ca 0.00 0.21 0.17 0.00 0.00 0.00 0.00 53.44 53.82 1ib1 n ALA 72 Cb 0.00 -2.30 0.80 0.00 0.00 0.00 0.00 19.45 17.95 1ib1 n ALA 72 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ib1 h GLU 73 N 1.83 0.00 0.00 0.00 4.81 -1.92 -2.05 114.58 117.26 1ib1 h GLU 73 Ca -0.49 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1ib1 h GLU 73 Cb 1.30 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 1ib1 h GLU 73 CO 0.59 0.00 -0.01 0.87 -0.73 0.00 0.00 179.01 179.72 1ib1 h LYS 74 N 0.00 0.00 -0.08 1.92 6.56 -1.98 -0.08 116.57 122.91 1ib1 h LYS 74 Ca 0.00 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.43 1ib1 h LYS 74 Cb 0.29 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.94 1ib1 h LYS 74 CO 0.00 0.01 -0.65 0.87 -2.06 0.00 0.00 179.45 177.63 1ib1 h LYS 75 N 0.00 0.31 0.00 3.15 1.57 -1.73 -2.91 116.57 116.96 1ib1 h LYS 75 Ca -0.00 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 1ib1 h LYS 75 Cb 0.14 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1ib1 h LYS 75 CO 0.00 0.85 -0.16 1.96 -0.57 0.00 0.00 179.45 181.53 1ib1 h GLN 76 N 0.22 0.00 -0.92 3.15 4.20 -1.17 -3.29 115.11 117.30 1ib1 h GLN 76 Ca -0.01 0.00 0.26 0.00 0.06 0.00 0.00 58.65 58.96 1ib1 h GLN 76 Cb 1.18 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.82 1ib1 h GLN 76 CO 0.11 0.16 0.35 0.37 -0.67 0.00 0.00 178.83 179.15 1ib1 h GLN 77 N 0.00 0.26 0.84 1.46 4.15 -1.50 0.25 115.11 120.57 1ib1 h GLN 77 Ca -0.00 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 1ib1 h GLN 77 Cb 0.55 -0.06 0.01 0.00 0.21 0.00 0.00 27.48 28.19 1ib1 h GLN 77 CO 0.02 0.17 -0.40 1.98 -1.93 0.00 0.00 178.83 178.67 1ib1 h MET 78 N 0.26 -1.08 -0.60 1.69 4.05 -1.79 -1.17 114.93 116.29 1ib1 h MET 78 Ca 0.61 0.07 0.07 0.00 -0.28 0.00 0.00 59.70 60.17 1ib1 h MET 78 Cb 1.28 0.25 -0.06 0.00 -0.80 0.00 0.00 31.60 32.27 1ib1 h MET 78 CO -0.63 -0.72 0.30 0.00 0.23 0.00 0.00 176.91 176.09 1ib1 h ALA 79 N -1.06 0.79 -0.73 0.39 0.00 -1.55 -0.17 119.26 116.94 1ib1 h ALA 79 Ca -0.11 0.04 0.14 0.00 0.00 0.00 0.00 54.91 54.97 1ib1 h ALA 79 Cb 0.87 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 1ib1 h ALA 79 CO 0.19 -0.07 0.26 -0.09 0.00 0.00 0.00 179.25 179.55 1ib1 h ARG 80 N 0.55 0.39 -0.35 0.00 2.43 -0.46 0.20 114.38 117.13 1ib1 h ARG 80 Ca 0.28 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.33 1ib1 h ARG 80 Cb 0.23 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1ib1 h ARG 80 CO -0.21 0.26 -0.15 0.93 -1.51 0.00 0.00 179.97 179.28 1ib1 h GLU 81 N 0.40 0.73 -0.52 0.20 5.08 0.23 -1.67 114.58 119.02 1ib1 h GLU 81 Ca 0.40 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1ib1 h GLU 81 Cb 0.61 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1ib1 h GLU 81 CO -0.41 0.91 0.19 -0.92 -1.00 0.00 0.00 179.01 177.78 1ib1 h TYR 82 N 0.51 0.81 -0.88 4.33 3.20 -0.54 0.31 116.97 124.72 1ib1 h TYR 82 Ca 0.08 -0.07 0.04 0.00 3.14 0.00 0.00 58.73 61.92 1ib1 h TYR 82 Cb 0.69 -0.24 -0.06 0.00 1.54 0.00 0.00 36.73 38.66 1ib1 h TYR 82 CO 0.06 0.68 0.56 -0.09 -1.64 0.00 0.00 178.16 177.73 1ib1 h ARG 83 N 0.71 1.04 -0.33 1.82 1.12 -0.53 0.92 114.38 119.12 1ib1 h ARG 83 Ca 0.17 -0.06 -0.10 0.00 -1.11 0.00 0.00 59.98 58.88 1ib1 h ARG 83 Cb 0.23 -0.24 -0.01 0.00 -0.01 0.00 0.00 29.97 29.94 1ib1 h ARG 83 CO -0.01 0.69 -0.22 0.93 -3.11 0.00 0.00 179.97 178.25 1ib1 h GLU 84 N 1.07 0.64 -0.52 0.20 5.08 -0.79 0.65 114.58 120.91 1ib1 h GLU 84 Ca 0.36 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1ib1 h GLU 84 Cb 0.05 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1ib1 h GLU 84 CO -0.13 0.81 0.23 -0.22 -1.00 0.00 0.00 179.01 178.70 1ib1 h LYS 85 N 0.56 0.76 -0.26 2.33 3.64 0.69 -1.55 116.57 122.75 1ib1 h LYS 85 Ca 0.08 -0.12 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 1ib1 h LYS 85 Cb 0.68 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1ib1 h LYS 85 CO 0.05 0.65 -0.33 0.82 -2.27 0.00 0.00 179.45 178.37 1ib1 h ILE 86 N 0.69 1.29 -0.38 2.00 2.04 -0.58 -2.92 117.51 119.65 1ib1 h ILE 86 Ca 0.18 -1.44 -0.06 0.00 1.00 0.00 0.00 64.86 64.54 1ib1 h ILE 86 Cb 0.15 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1ib1 h ILE 86 CO -0.02 0.46 -0.02 -0.33 0.00 0.00 0.00 178.15 178.24 1ib1 h GLU 87 N 0.47 0.62 -0.47 2.37 5.08 -0.35 -0.23 114.58 122.07 1ib1 h GLU 87 Ca 0.05 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.14 1ib1 h GLU 87 Cb 0.80 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1ib1 h GLU 87 CO 0.07 0.65 -0.19 1.15 -1.00 0.00 0.00 179.01 179.68 1ib1 h THR 88 N 0.58 1.27 -0.33 1.13 2.02 -1.13 0.27 112.91 116.72 1ib1 h THR 88 Ca 0.12 -1.34 -0.03 0.00 0.77 0.00 0.00 66.41 65.93 1ib1 h THR 88 Cb 0.39 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1ib1 h THR 88 CO 0.02 0.46 0.09 -0.08 0.37 0.00 0.00 175.52 176.37 1ib1 h GLU 89 N 0.82 0.52 -0.51 6.66 4.81 -1.28 -1.44 114.58 124.17 1ib1 h GLU 89 Ca 0.11 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1ib1 h GLU 89 Cb 0.75 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 1ib1 h GLU 89 CO 0.06 0.58 0.15 1.25 -0.73 0.00 0.00 179.01 180.32 1ib1 h LEU 90 N 0.37 0.76 -0.39 1.64 5.85 -0.81 -2.32 115.31 120.41 1ib1 h LEU 90 Ca 0.10 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 1ib1 h LEU 90 Cb 0.29 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1ib1 h LEU 90 CO 0.00 0.77 0.23 -0.09 -0.34 0.00 0.00 178.44 179.01 1ib1 h ARG 91 N 0.70 0.53 -0.42 1.25 9.65 -0.30 -2.36 114.38 123.43 1ib1 h ARG 91 Ca 0.16 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1ib1 h ARG 91 Cb 0.29 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 1ib1 h ARG 91 CO -0.00 0.41 0.26 -0.44 2.80 0.00 0.00 179.97 183.00 1ib1 h ASP 92 N 0.50 0.49 -0.04 -3.80 3.32 -1.10 -1.11 116.42 114.68 1ib1 h ASP 92 Ca 0.14 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.17 1ib1 h ASP 92 Cb 0.02 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1ib1 h ASP 92 CO -0.02 0.38 -0.08 0.40 -1.72 0.00 0.00 179.24 178.20 1ib1 h ILE 93 N 0.56 0.79 -0.24 0.35 2.04 -1.26 -0.81 117.51 118.94 1ib1 h ILE 93 Ca 0.15 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.03 1ib1 h ILE 93 Cb -0.03 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1ib1 h ILE 93 CO -0.03 0.00 0.09 0.00 0.00 0.00 0.00 178.15 178.21 1ib1 h ASN 95 N 0.21 0.41 0.56 0.00 2.35 -0.98 0.03 115.58 118.15 1ib1 h ASN 95 Ca 0.10 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 1ib1 h ASN 95 Cb 0.06 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1ib1 h ASN 95 CO -0.10 0.28 -0.29 0.44 -1.65 0.00 0.00 177.43 176.12 1ib1 h ASP 96 N 0.47 -0.69 -0.04 5.81 5.19 -0.14 -0.13 116.42 126.89 1ib1 h ASP 96 Ca 0.18 0.03 -0.17 0.00 -0.62 0.00 0.00 57.03 56.45 1ib1 h ASP 96 Cb 0.13 0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.82 1ib1 h ASP 96 CO -0.04 -0.48 -0.57 1.62 -3.12 0.00 0.00 179.24 176.65 1ib1 h VAL 97 N -0.78 1.31 -0.67 -1.35 3.04 -1.14 -1.94 116.25 114.71 1ib1 h VAL 97 Ca -0.07 -1.81 0.01 0.00 -1.01 0.00 0.00 66.70 63.82 1ib1 h VAL 97 Cb 0.61 1.76 -0.03 0.00 -2.01 0.00 0.00 31.29 31.61 1ib1 h VAL 97 CO 0.11 0.57 0.45 -0.07 -1.01 0.00 0.00 177.57 177.61 1ib1 h LEU 98 N 0.48 0.77 -0.19 3.16 4.07 -0.93 0.40 115.31 123.07 1ib1 h LEU 98 Ca 0.01 -0.02 -0.19 0.00 0.08 0.00 0.00 57.88 57.76 1ib1 h LEU 98 Cb 1.13 -0.19 0.01 0.00 1.08 0.00 0.00 40.66 42.69 1ib1 h LEU 98 CO 0.11 0.56 -0.62 -1.28 -1.08 0.00 0.00 178.44 176.13 1ib1 h SER 99 N 0.91 0.87 -0.70 -0.43 0.87 -0.84 -1.18 113.55 113.04 1ib1 h SER 99 Ca 0.25 -0.59 -0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1ib1 h SER 99 Cb -0.10 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.57 1ib1 h SER 99 CO -0.05 1.32 0.43 -0.07 -0.53 0.00 0.00 176.83 177.92 1ib1 h LEU 100 N 0.48 0.84 0.46 2.23 4.07 -0.51 -0.33 115.31 122.56 1ib1 h LEU 100 Ca -0.02 -0.05 -0.02 0.00 0.08 0.00 0.00 57.88 57.86 1ib1 h LEU 100 Cb 1.24 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.77 1ib1 h LEU 100 CO 0.13 0.64 -0.22 0.25 -1.08 0.00 0.00 178.44 178.16 1ib1 h LEU 101 N 0.96 -0.53 -1.37 1.67 5.85 -0.11 0.23 115.31 122.01 1ib1 h LEU 101 Ca 0.25 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 1ib1 h LEU 101 Cb -0.05 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1ib1 h LEU 101 CO -0.05 -0.38 -0.01 -0.08 -0.34 0.00 0.00 178.44 177.59 1ib1 h GLU 102 N -0.62 0.41 0.09 1.25 4.57 -1.02 -0.67 114.58 118.58 1ib1 h GLU 102 Ca -0.06 -0.08 -0.33 0.00 -1.18 0.00 0.00 59.36 57.71 1ib1 h GLU 102 Cb 0.48 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 1ib1 h GLU 102 CO 0.10 0.44 -1.80 0.87 -1.18 0.00 0.00 179.01 177.45 1ib1 h LYS 103 N 0.40 0.18 0.00 1.92 1.57 -0.97 -3.42 116.57 116.25 1ib1 h LYS 103 Ca 0.09 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1ib1 h LYS 103 Cb 0.28 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1ib1 h LYS 103 CO 0.01 0.98 -0.56 1.19 -0.57 0.00 0.00 179.45 180.50 1ib1 n PHE 104 N -3.35 -0.16 0.29 -1.35 3.01 0.01 -4.82 117.46 111.10 1ib1 n PHE 104 Ca -0.24 0.03 -0.14 0.00 1.01 0.00 0.00 57.45 58.11 1ib1 n PHE 104 Cb 1.05 0.16 -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 -0.95 -0.73 4.37 -0.00 -1.33 -2.50 115.31 114.18 1ib1 h LEU 105 Ca 0.00 0.06 -0.12 0.00 -0.00 0.00 0.00 57.88 57.82 1ib1 h LEU 105 Cb 0.56 0.29 -0.01 0.00 -0.00 0.00 0.00 40.66 41.50 1ib1 h LEU 105 CO 0.00 -0.54 -0.37 0.16 -0.00 0.00 0.00 178.44 177.69 1ib1 h ILE 106 N -0.85 1.29 -0.20 1.22 3.07 -1.39 -2.87 117.51 117.79 1ib1 h ILE 106 Ca -0.07 -1.52 -0.05 0.00 1.55 0.00 0.00 64.86 64.77 1ib1 h ILE 106 Cb 0.69 1.52 -0.01 0.00 -0.27 0.00 0.00 36.82 38.75 1ib1 h ILE 106 CO 0.04 0.48 -0.11 -0.65 -1.05 0.00 0.00 178.15 176.86 1ib1 h PRO 107 N 0.45 0.32 0.00 0.16 0.11 -1.75 -2.64 132.00 128.66 1ib1 h PRO 107 Ca 0.04 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1ib1 h PRO 107 Cb 0.86 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1ib1 h PRO 107 CO 0.07 0.44 -0.29 0.09 -0.21 0.00 0.00 178.00 178.10 1ib1 n ASN 108 N -4.27 0.32 -4.55 -2.05 5.03 -0.94 -4.85 115.26 103.95 1ib1 n ASN 108 Ca -0.00 0.09 -0.37 0.00 0.87 0.00 0.00 54.58 55.17 1ib1 n ASN 108 Cb 0.27 -0.08 -0.03 0.00 -1.02 0.00 0.00 39.78 38.92 1ib1 n ASN 108 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ib1 s ALA 109 N -3.01 1.79 -0.07 5.41 0.00 -1.00 -4.83 121.76 120.06 1ib1 s ALA 109 Ca 0.12 -0.18 -0.22 0.00 0.00 0.00 0.00 51.96 51.68 1ib1 s ALA 109 Cb 0.18 -4.33 -0.30 0.00 0.00 0.00 0.00 23.12 18.66 1ib1 s ALA 109 CO 0.63 -4.29 0.83 0.66 0.00 0.00 0.00 175.76 173.58 1ib1 h SER 110 N 18.20 0.40 -2.89 0.00 4.64 -1.89 -3.44 113.55 128.57 1ib1 h SER 110 Ca -0.25 -0.94 -0.48 0.00 -0.47 0.00 0.00 61.79 59.66 1ib1 h SER 110 Cb 1.24 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1ib1 h SER 110 CO 1.18 1.38 -0.16 -1.10 -0.87 0.00 0.00 176.83 177.26 1ib1 s GLN 111 N -2.41 3.50 0.31 4.77 1.11 -1.26 -4.99 119.66 120.69 1ib1 s GLN 111 Ca -0.15 -0.27 0.04 0.00 0.01 0.00 0.00 55.36 54.99 1ib1 s GLN 111 Cb 0.01 -2.64 0.53 0.00 -1.01 0.00 0.00 33.01 29.90 1ib1 s GLN 111 CO 0.80 0.12 1.80 0.00 0.01 0.00 0.00 175.29 178.03 1ib1 h ALA 112 N 0.76 1.25 -0.53 6.09 0.00 -1.98 -0.70 119.26 124.16 1ib1 h ALA 112 Ca -0.49 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.12 1ib1 h ALA 112 Cb 1.22 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1ib1 h ALA 112 CO 0.62 0.49 0.22 1.49 0.00 0.00 0.00 179.25 182.07 1ib1 h GLU 113 N 0.43 0.76 0.01 0.00 4.81 -1.94 -0.12 114.58 118.53 1ib1 h GLU 113 Ca 0.08 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 59.08 1ib1 h GLU 113 Cb 0.50 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.75 1ib1 h GLU 113 CO 0.03 0.61 -0.49 0.77 -0.73 0.00 0.00 179.01 179.20 1ib1 h SER 114 N 0.75 0.41 -0.80 1.04 0.02 -1.83 -2.54 113.55 110.60 1ib1 h SER 114 Ca 0.18 -0.79 0.05 0.00 -0.84 0.00 0.00 61.79 60.40 1ib1 h SER 114 Cb 0.13 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.49 1ib1 h SER 114 CO -0.02 1.15 0.49 0.11 -1.14 0.00 0.00 176.83 177.42 1ib1 h LYS 115 N -0.28 0.90 -0.16 3.45 1.57 -0.80 -1.22 116.57 120.02 1ib1 h LYS 115 Ca -0.06 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.49 1ib1 h LYS 115 Cb 1.24 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 1ib1 h LYS 115 CO 0.10 0.59 -0.62 -0.24 -0.57 0.00 0.00 179.45 178.71 1ib1 h VAL 116 N 0.92 1.33 0.63 0.50 3.04 -1.10 -1.31 116.25 120.27 1ib1 h VAL 116 Ca 0.34 -1.90 -0.03 0.00 -1.01 0.00 0.00 66.70 64.10 1ib1 h VAL 116 Cb 0.12 1.87 0.01 0.00 -2.01 0.00 0.00 31.29 31.28 1ib1 h VAL 116 CO -0.15 0.59 -0.30 0.15 -1.01 0.00 0.00 177.57 176.84 1ib1 h PHE 117 N 0.40 -0.79 -0.03 3.17 3.04 -0.96 0.25 116.94 122.03 1ib1 h PHE 117 Ca -0.01 -0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.85 1ib1 h PHE 117 Cb 1.18 0.26 -0.01 0.00 2.56 0.00 0.00 35.95 39.94 1ib1 h PHE 117 CO 0.05 -0.48 -0.33 1.88 -2.02 0.00 0.00 178.31 177.42 1ib1 h TYR 118 N -0.89 0.06 -0.18 0.41 0.05 -1.29 -0.14 116.97 114.98 1ib1 h TYR 118 Ca -0.09 -0.01 -0.17 0.00 0.05 0.00 0.00 58.73 58.51 1ib1 h TYR 118 Cb 0.67 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.39 1ib1 h TYR 118 CO -0.02 0.38 -0.58 -0.07 -1.05 0.00 0.00 178.16 176.81 1ib1 h LEU 119 N 0.05 0.63 -0.36 3.88 4.07 -1.09 -0.57 115.31 121.92 1ib1 h LEU 119 Ca 0.00 -0.35 -0.09 0.00 0.08 0.00 0.00 57.88 57.53 1ib1 h LEU 119 Cb 0.60 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1ib1 h LEU 119 CO 0.04 1.07 -0.13 0.50 -1.08 0.00 0.00 178.44 178.84 1ib1 h LYS 120 N 0.42 0.72 -0.01 1.13 3.64 -0.51 -1.01 116.57 120.95 1ib1 h LYS 120 Ca 0.00 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 59.05 1ib1 h LYS 120 Cb 1.13 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1ib1 h LYS 120 CO 0.11 0.90 -0.14 1.98 -2.27 0.00 0.00 179.45 180.03 1ib1 h MET 121 N 0.51 0.02 -0.14 1.90 4.05 -0.86 0.34 114.93 120.74 1ib1 h MET 121 Ca 0.08 -0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 59.28 1ib1 h MET 121 Cb 0.66 -0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.46 1ib1 h MET 121 CO 0.04 0.16 -0.79 -0.22 0.23 0.00 0.00 176.91 176.33 1ib1 h LYS 122 N 0.02 0.76 -0.34 0.39 3.64 -0.64 -2.20 116.57 118.20 1ib1 h LYS 122 Ca 0.00 -0.63 -0.12 0.00 -1.27 0.00 0.00 60.65 58.63 1ib1 h LYS 122 Cb 0.26 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1ib1 h LYS 122 CO 0.02 1.24 -0.29 0.78 -2.27 0.00 0.00 179.45 178.93 1ib1 h GLY 123 N 0.61 0.76 0.78 5.01 0.00 -0.01 -2.79 103.07 107.43 1ib1 h GLY 123 Ca -0.06 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.58 1ib1 h GLY 123 CO 0.16 0.62 -0.30 -0.55 0.00 0.00 0.00 176.54 176.48 1ib1 h ASP 124 N 0.60 -0.77 0.25 0.19 3.32 -0.24 -1.01 116.42 118.76 1ib1 h ASP 124 Ca 0.07 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 1ib1 h ASP 124 Cb 0.79 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 1ib1 h ASP 124 CO 0.07 -0.45 -0.33 1.88 -1.72 0.00 0.00 179.24 178.69 1ib1 h TYR 125 N -0.69 0.15 0.00 4.55 -1.99 -1.43 -0.66 116.97 116.90 1ib1 h TYR 125 Ca -0.04 -0.03 -0.10 0.00 2.00 0.00 0.00 58.73 60.56 1ib1 h TYR 125 Cb 0.59 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.27 1ib1 h TYR 125 CO -0.14 0.46 -0.47 1.88 -0.00 0.00 0.00 178.16 179.89 1ib1 h TYR 126 N 0.12 0.00 -0.21 4.88 0.05 -1.39 -0.85 116.97 119.57 1ib1 h TYR 126 Ca 0.02 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 1ib1 h TYR 126 Cb 0.65 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.38 1ib1 h TYR 126 CO 0.01 0.47 -0.08 -0.09 -1.05 0.00 0.00 178.16 177.42 1ib1 h ARG 127 N 0.00 0.42 -0.70 4.88 2.43 0.23 0.40 114.38 122.04 1ib1 h ARG 127 Ca -0.00 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 58.96 1ib1 h ARG 127 Cb 0.90 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.40 1ib1 h ARG 127 CO 0.06 0.69 0.30 1.88 -1.51 0.00 0.00 179.97 181.40 1ib1 h TYR 128 N 0.13 1.01 -0.20 2.20 0.05 -1.07 0.73 116.97 119.82 1ib1 h TYR 128 Ca 0.05 -0.05 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 1ib1 h TYR 128 Cb 0.55 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 1ib1 h TYR 128 CO 0.06 0.76 -0.25 1.25 -1.05 0.00 0.00 178.16 178.92 1ib1 h LEU 129 N 1.00 0.38 -0.83 3.88 5.85 -0.81 -2.24 115.31 122.53 1ib1 h LEU 129 Ca 0.24 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 1ib1 h LEU 129 Cb 0.15 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1ib1 h LEU 129 CO -0.03 0.63 -0.45 0.00 -0.34 0.00 0.00 178.44 178.26 1ib1 h ALA 130 N 1.40 0.96 0.00 1.25 0.00 0.19 -1.53 119.26 121.53 1ib1 h ALA 130 Ca 0.05 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1ib1 h ALA 130 Cb 0.63 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1ib1 h ALA 130 CO 0.05 0.56 -0.18 0.93 0.00 0.00 0.00 179.25 180.61 1ib1 h GLU 131 N 0.00 0.00 -0.01 0.00 5.08 -0.32 -2.74 114.58 116.59 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 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1ib1 h GLU 131 CO 0.06 0.18 -0.01 1.33 -1.00 0.00 0.00 179.01 179.57 1ib1 n VAL 132 N -4.15 0.00 -1.57 3.13 0.24 -1.15 -5.03 118.33 109.80 1ib1 n VAL 132 Ca -0.02 -0.50 -0.54 0.00 -2.04 0.00 0.00 64.34 61.24 1ib1 n VAL 132 Cb 0.25 1.18 -0.07 0.00 -1.47 0.00 0.00 33.84 33.74 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 0.48 -1.68 -1.00 2.33 0.00 -0.59 -4.96 120.51 115.09 1ib1 n ALA 133 Ca 0.05 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1ib1 n ALA 133 Cb 0.22 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1ib1 n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ib1 n ALA 134 N 2.31 0.00 -1.97 0.00 0.00 -1.26 -4.83 120.51 114.76 1ib1 n ALA 134 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1ib1 n ALA 134 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1ib1 n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ib1 n GLY 135 N 1.47 1.04 0.33 0.00 0.00 -1.26 -4.80 105.19 101.97 1ib1 n GLY 135 Ca 0.00 -0.03 0.22 0.00 0.00 0.00 0.00 46.02 46.20 1ib1 n GLY 135 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ib1 h ASP 136 N 0.00 0.00 1.40 1.61 3.32 -2.05 -1.35 116.42 119.35 1ib1 h ASP 136 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1ib1 h ASP 136 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1ib1 h ASP 136 CO 0.00 0.00 -0.62 0.44 -1.72 0.00 0.00 179.24 177.34 1ib1 h ASP 137 N 0.00 0.00 -0.34 6.45 5.19 -1.97 -3.36 116.42 122.39 1ib1 h ASP 137 Ca 0.00 0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.48 1ib1 h ASP 137 Cb 0.06 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.50 1ib1 h ASP 137 CO 0.00 0.30 -0.15 0.50 -3.12 0.00 0.00 179.24 176.77 1ib1 h LYS 138 N 0.00 -0.08 -0.51 3.56 3.64 -1.55 -2.45 116.57 119.18 1ib1 h LYS 138 Ca -0.03 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.45 1ib1 h LYS 138 Cb 1.25 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 33.01 1ib1 h LYS 138 CO 0.03 -0.06 0.05 -0.22 -2.27 0.00 0.00 179.45 176.98 1ib1 h LYS 139 N -0.09 0.16 -0.42 1.90 3.64 -1.74 -0.23 116.57 119.80 1ib1 h LYS 139 Ca 0.17 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1ib1 h LYS 139 Cb 0.35 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1ib1 h LYS 139 CO -0.40 0.11 0.17 0.78 -2.27 0.00 0.00 179.45 177.84 1ib1 h GLY 140 N 0.17 0.67 0.91 5.01 0.00 -1.68 -2.37 103.07 105.78 1ib1 h GLY 140 Ca 0.26 -0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.24 1ib1 h GLY 140 CO -0.38 0.34 0.37 -2.22 0.00 0.00 0.00 176.54 174.65 1ib1 h ILE 141 N 0.54 1.09 0.00 2.60 2.04 -0.92 -1.47 117.51 121.39 1ib1 h ILE 141 Ca 0.14 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 1ib1 h ILE 141 Cb 0.19 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1ib1 h ILE 141 CO -0.01 0.13 -0.16 0.58 0.00 0.00 0.00 178.15 178.70 1ib1 h VAL 142 N 0.73 0.97 -0.05 1.67 2.07 -0.86 -1.61 116.25 119.17 1ib1 h VAL 142 Ca 0.23 -0.56 -0.15 0.00 0.82 0.00 0.00 66.70 67.04 1ib1 h VAL 142 Cb -0.01 1.31 0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1ib1 h VAL 142 CO -0.08 0.15 -0.54 0.44 0.02 0.00 0.00 177.57 177.56 1ib1 h ASP 143 N 0.00 0.57 -0.80 0.57 3.45 -0.80 -2.64 116.42 116.78 1ib1 h ASP 143 Ca -0.00 -0.69 0.10 0.00 0.43 0.00 0.00 57.03 56.86 1ib1 h ASP 143 Cb 0.30 -0.17 -0.07 0.00 -0.56 0.00 0.00 39.33 38.83 1ib1 h ASP 143 CO 0.02 1.18 0.44 1.56 -1.57 0.00 0.00 179.24 180.86 1ib1 h GLN 144 N 0.00 0.70 0.14 3.56 1.08 -0.75 0.34 115.11 120.18 1ib1 h GLN 144 Ca -0.05 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.10 1ib1 h GLN 144 Cb 1.21 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 1ib1 h GLN 144 CO 0.11 0.47 -0.07 1.03 -0.95 0.00 0.00 178.83 179.42 1ib1 h SER 145 N 0.72 -0.16 -0.99 1.46 0.87 -1.35 -2.89 113.55 111.22 1ib1 h SER 145 Ca 0.39 -0.25 0.06 0.00 -1.23 0.00 0.00 61.79 60.76 1ib1 h SER 145 Cb 0.39 0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 62.33 1ib1 h SER 145 CO -0.26 0.18 0.64 -0.61 -0.53 0.00 0.00 176.83 176.24 1ib1 h GLN 146 N -0.50 1.14 -0.11 2.24 4.15 -1.06 -1.18 115.11 119.78 1ib1 h GLN 146 Ca -0.02 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 59.23 1ib1 h GLN 146 Cb 0.40 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1ib1 h GLN 146 CO 0.03 0.75 -0.41 1.96 -1.93 0.00 0.00 178.83 179.23 1ib1 h GLN 147 N 1.17 0.24 -0.02 1.69 4.20 -0.96 0.18 115.11 121.61 1ib1 h GLN 147 Ca 0.42 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.97 1ib1 h GLN 147 Cb 0.14 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1ib1 h GLN 147 CO -0.16 0.62 -0.15 0.00 -0.67 0.00 0.00 178.83 178.47 1ib1 h ALA 148 N 1.37 0.05 -0.44 3.87 0.00 -1.23 -2.49 119.26 120.39 1ib1 h ALA 148 Ca 0.02 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.57 1ib1 h ALA 148 Cb 0.82 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1ib1 h ALA 148 CO 0.06 -0.00 0.20 1.88 0.00 0.00 0.00 179.25 181.39 1ib1 h TYR 149 N -0.49 0.37 -0.57 0.00 0.05 -1.13 -1.22 116.97 113.97 1ib1 h TYR 149 Ca -0.01 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1ib1 h TYR 149 Cb 0.84 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.45 1ib1 h TYR 149 CO 0.16 0.18 0.33 0.37 -1.05 0.00 0.00 178.16 178.15 1ib1 h GLN 150 N 0.41 0.78 -0.65 4.88 5.75 -0.70 -0.11 115.11 125.47 1ib1 h GLN 150 Ca 0.19 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.57 1ib1 h GLN 150 Cb 0.12 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.49 1ib1 h GLN 150 CO -0.15 0.58 0.25 1.49 -2.65 0.00 0.00 178.83 178.35 1ib1 h GLU 151 N 0.77 0.98 -0.68 1.69 4.81 -0.94 -0.40 114.58 120.81 1ib1 h GLU 151 Ca 0.20 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1ib1 h GLU 151 Cb 0.01 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 1ib1 h GLU 151 CO -0.04 0.83 0.20 0.00 -0.73 0.00 0.00 179.01 179.27 1ib1 h ALA 152 N 1.10 0.89 -0.65 2.92 0.00 -0.89 -1.70 119.26 120.94 1ib1 h ALA 152 Ca 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ib1 h ALA 152 Cb 0.22 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1ib1 h ALA 152 CO -0.02 0.58 0.35 0.35 0.00 0.00 0.00 179.25 180.51 1ib1 h PHE 153 N 1.00 0.89 0.35 0.00 3.57 -0.61 0.20 116.94 122.33 1ib1 h PHE 153 Ca 0.22 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1ib1 h PHE 153 Cb 0.32 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1ib1 h PHE 153 CO 0.02 0.64 -0.34 1.49 -2.23 0.00 0.00 178.31 177.89 1ib1 h GLU 154 N 0.88 -0.69 -0.87 1.11 4.57 -0.62 -0.85 114.58 118.12 1ib1 h GLU 154 Ca 0.23 0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.43 1ib1 h GLU 154 Cb 0.05 0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.75 1ib1 h GLU 154 CO -0.04 -0.46 0.43 0.82 -1.18 0.00 0.00 179.01 178.59 1ib1 h ILE 155 N -0.72 1.26 -0.36 2.32 2.04 -1.15 -2.89 117.51 118.02 1ib1 h ILE 155 Ca -0.02 -0.71 0.06 0.00 1.00 0.00 0.00 64.86 65.18 1ib1 h ILE 155 Cb 0.65 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 1ib1 h ILE 155 CO -0.06 0.31 0.03 0.28 0.00 0.00 0.00 178.15 178.71 1ib1 h SER 156 N 1.23 -0.07 -0.58 1.72 0.02 -0.24 0.11 113.55 115.74 1ib1 h SER 156 Ca 0.30 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.30 1ib1 h SER 156 Cb 0.10 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1ib1 h SER 156 CO -0.04 -0.00 0.29 0.11 -1.14 0.00 0.00 176.83 176.05 1ib1 h LYS 157 N 0.14 0.86 0.14 3.45 1.57 -0.96 -0.85 116.57 120.93 1ib1 h LYS 157 Ca 0.17 -0.11 -0.20 0.00 -1.87 0.00 0.00 60.65 58.64 1ib1 h LYS 157 Cb 0.22 -0.16 0.02 0.00 0.08 0.00 0.00 32.23 32.39 1ib1 h LYS 157 CO -0.26 0.67 -0.87 0.87 -0.57 0.00 0.00 179.45 179.29 1ib1 h LYS 158 N 0.86 0.34 -0.02 3.15 1.57 -1.22 -3.40 116.57 117.85 1ib1 h LYS 158 Ca 0.21 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1ib1 h LYS 158 Cb 0.09 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1ib1 h LYS 158 CO -0.03 1.26 -0.14 0.39 -0.57 0.00 0.00 179.45 180.36 1ib1 n GLU 159 N -4.09 1.50 -4.45 3.15 4.71 0.33 -5.02 120.64 116.78 1ib1 n GLU 159 Ca -0.14 -1.23 -0.24 0.00 -0.01 0.00 0.00 57.16 55.54 1ib1 n GLU 159 Cb 0.85 -1.31 -0.13 0.00 -1.01 0.00 0.00 31.44 29.83 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 -1.62 1.18 0.51 3.49 -1.94 -0.32 -4.98 119.30 115.61 1ib1 s MET 160 Ca 0.17 -0.98 -0.20 0.00 -1.71 0.00 0.00 55.69 52.97 1ib1 s MET 160 Cb 0.14 -1.32 -0.07 0.00 2.01 0.00 0.00 34.83 35.59 1ib1 s MET 160 CO 0.29 0.32 1.11 -0.65 -0.01 0.00 0.00 175.02 176.08 1ib1 s GLN 161 N -1.43 3.57 0.52 2.03 -0.21 -1.26 -4.71 119.66 118.17 1ib1 s GLN 161 Ca 0.05 1.57 0.28 0.00 0.02 0.00 0.00 55.36 57.28 1ib1 s GLN 161 Cb -0.09 -2.12 1.41 0.00 1.00 0.00 0.00 33.01 33.21 1ib1 s GLN 161 CO 0.02 -0.66 1.92 -1.35 -2.12 0.00 0.00 175.29 173.10 1ib1 h PRO 162 N 1.49 0.05 -0.01 2.91 0.11 -1.93 -0.26 132.00 134.36 1ib1 h PRO 162 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ib1 h PRO 162 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1ib1 h PRO 162 CO 0.58 0.03 -0.03 0.25 -0.21 0.00 0.00 178.00 178.63 1ib1 n THR 163 N -4.33 0.00 -1.80 -1.15 -2.24 -1.26 -4.51 114.28 98.99 1ib1 n THR 163 Ca 0.16 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.34 1ib1 n THR 163 Cb 0.83 0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 69.28 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 -2.08 2.95 0.51 4.78 5.04 -0.11 -4.56 115.29 121.82 1ib1 s HIS 164 Ca 0.38 0.44 0.24 0.00 -1.54 0.00 0.00 55.06 54.58 1ib1 s HIS 164 Cb 0.21 -4.06 1.33 0.00 0.04 0.00 0.00 32.58 30.10 1ib1 s HIS 164 CO 0.37 -3.99 1.97 -1.35 -2.34 0.00 0.00 174.74 169.39 1ib1 h PRO 165 N 6.82 0.08 0.19 2.88 0.11 -1.91 0.32 132.00 140.50 1ib1 h PRO 165 Ca -0.43 -0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.36 1ib1 h PRO 165 Cb 1.20 -0.02 0.02 0.00 0.11 0.00 0.00 31.00 32.31 1ib1 h PRO 165 CO 0.94 0.06 -1.48 0.82 -0.21 0.00 0.00 178.00 178.13 1ib1 h ILE 166 N 0.09 1.26 -0.18 4.15 2.04 -1.96 -1.43 117.51 121.47 1ib1 h ILE 166 Ca 0.30 -2.78 -0.02 0.00 1.00 0.00 0.00 64.86 63.36 1ib1 h ILE 166 Cb 1.06 2.93 -0.01 0.00 -0.74 0.00 0.00 36.82 40.06 1ib1 h ILE 166 CO -0.03 0.84 0.03 -0.09 0.00 0.00 0.00 178.15 178.91 1ib1 h ARG 167 N 0.11 0.30 -0.78 2.37 2.43 -1.67 -2.31 114.38 114.83 1ib1 h ARG 167 Ca -0.24 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 58.80 1ib1 h ARG 167 Cb 2.09 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 31.57 1ib1 h ARG 167 CO 0.23 0.45 0.30 -0.07 -1.51 0.00 0.00 179.97 179.37 1ib1 h LEU 168 N 0.09 1.10 -0.77 3.80 4.07 -1.06 -2.08 115.31 120.46 1ib1 h LEU 168 Ca 0.06 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.84 1ib1 h LEU 168 Cb 0.29 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.71 1ib1 h LEU 168 CO 0.00 0.98 0.49 1.23 -1.08 0.00 0.00 178.44 180.06 1ib1 h GLY 169 N 1.15 1.10 1.13 0.83 0.00 -1.11 -1.70 103.07 104.46 1ib1 h GLY 169 Ca 0.26 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 1ib1 h GLY 169 CO -0.02 0.42 0.23 -2.00 0.00 0.00 0.00 176.54 175.17 1ib1 h LEU 170 N 1.05 1.02 -0.33 3.11 5.85 -1.15 -2.22 115.31 122.63 1ib1 h LEU 170 Ca 0.28 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1ib1 h LEU 170 Cb -0.08 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.65 1ib1 h LEU 170 CO -0.06 0.94 0.13 0.00 -0.34 0.00 0.00 178.44 179.12 1ib1 h ALA 171 N 1.19 0.39 0.83 1.25 0.00 -0.63 0.20 119.26 122.48 1ib1 h ALA 171 Ca 0.23 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1ib1 h ALA 171 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ib1 h ALA 171 CO -0.01 -0.25 -0.45 1.25 0.00 0.00 0.00 179.25 179.79 1ib1 h LEU 172 N 0.29 -1.10 -0.87 0.00 5.85 -1.10 -0.67 115.31 117.72 1ib1 h LEU 172 Ca 0.14 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1ib1 h LEU 172 Cb 0.09 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1ib1 h LEU 172 CO -0.13 -0.72 0.54 0.78 -0.34 0.00 0.00 178.44 178.57 1ib1 h ASN 173 N -1.18 1.03 -0.31 1.25 4.21 -1.31 -1.58 115.58 117.69 1ib1 h ASN 173 Ca -0.11 -0.05 -0.09 0.00 1.21 0.00 0.00 56.30 57.25 1ib1 h ASN 173 Cb 0.92 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.85 1ib1 h ASN 173 CO 0.15 0.78 -0.12 0.15 -1.29 0.00 0.00 177.43 177.09 1ib1 h PHE 174 N 1.19 0.82 -0.21 1.19 3.57 -0.58 -0.97 116.94 121.95 1ib1 h PHE 174 Ca 0.31 -0.15 -0.16 0.00 3.53 0.00 0.00 57.97 61.50 1ib1 h PHE 174 Cb -0.08 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.45 1ib1 h PHE 174 CO -0.00 0.83 -0.54 0.66 -2.23 0.00 0.00 178.31 177.03 1ib1 h SER 175 N 0.68 0.70 -0.29 0.41 4.64 -0.69 -2.42 113.55 116.57 1ib1 h SER 175 Ca 0.11 -0.37 -0.08 0.00 -0.47 0.00 0.00 61.79 60.99 1ib1 h SER 175 Cb 0.60 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 1ib1 h SER 175 CO 0.04 1.10 -0.07 0.58 -0.87 0.00 0.00 176.83 177.61 1ib1 h VAL 176 N 0.49 1.24 -0.48 0.95 2.07 -1.07 0.97 116.25 120.42 1ib1 h VAL 176 Ca 0.01 -1.04 0.03 0.00 0.82 0.00 0.00 66.70 66.53 1ib1 h VAL 176 Cb 1.09 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 1ib1 h VAL 176 CO 0.11 0.35 0.26 0.15 0.02 0.00 0.00 177.57 178.46 1ib1 h PHE 177 N 0.63 0.48 -0.47 1.57 3.57 -0.93 0.53 116.94 122.31 1ib1 h PHE 177 Ca 0.12 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 1ib1 h PHE 177 Cb 0.49 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1ib1 h PHE 177 CO 0.02 0.25 -0.07 1.88 -2.23 0.00 0.00 178.31 178.16 1ib1 h TYR 178 N 0.51 0.97 0.28 0.41 0.05 -0.92 -0.61 116.97 117.66 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 0.08 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 37.58 1ib1 h TYR 178 CO -0.09 0.94 -0.13 -0.92 -1.05 0.00 0.00 178.16 176.91 1ib1 h TYR 179 N 0.72 -0.35 0.00 4.88 3.20 -0.15 0.75 116.97 126.02 1ib1 h TYR 179 Ca 0.12 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.82 1ib1 h TYR 179 Cb 0.60 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 1ib1 h TYR 179 CO 0.05 -0.05 -2.06 -0.85 -1.64 0.00 0.00 178.16 173.60 1ib1 n GLU 180 N -5.14 0.82 0.02 1.82 0.28 0.11 -3.18 120.64 115.38 1ib1 n GLU 180 Ca -0.10 -0.09 -0.17 0.00 -0.16 0.00 0.00 57.16 56.64 1ib1 n GLU 180 Cb 0.24 -1.46 -0.14 0.00 1.43 0.00 0.00 31.44 31.51 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 0.83 0.00 3.84 1.08 -1.27 -3.39 117.51 118.61 1ib1 h ILE 181 Ca -0.25 -2.56 0.00 0.00 -0.39 0.00 0.00 64.86 61.66 1ib1 h ILE 181 Cb 1.51 2.56 0.00 0.00 -3.07 0.00 0.00 36.82 37.82 1ib1 h ILE 181 CO 0.01 0.77 -1.29 0.18 -0.69 0.00 0.00 178.15 177.13 1ib1 n LEU 182 N -3.36 0.51 -3.39 1.44 4.32 -0.60 -5.01 117.00 110.90 1ib1 n LEU 182 Ca -0.24 -0.29 -0.17 0.00 -0.02 0.00 0.00 56.01 55.29 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 0.46 0.13 0.04 0.59 -1.22 0.00 0.00 177.39 177.39 1ib1 n ASN 183 N -1.74 -4.36 -3.40 -1.43 3.02 -0.50 -4.98 115.26 101.88 1ib1 n ASN 183 Ca 0.01 -0.71 -0.26 0.00 -0.03 0.00 0.00 54.58 53.59 1ib1 n ASN 183 Cb 0.38 -4.94 -0.09 0.00 -0.61 0.00 0.00 39.78 34.51 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 -3.14 1.32 -0.15 6.41 7.64 0.14 -4.99 113.62 120.86 1ib1 n SER 184 Ca -0.17 -2.88 -0.04 0.00 1.01 0.00 0.00 58.87 56.79 1ib1 n SER 184 Cb 0.64 -0.64 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 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 4.61 -0.01 -0.10 1.43 0.11 -1.82 0.13 132.00 136.35 1ib1 h PRO 185 Ca 0.16 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.29 1ib1 h PRO 185 Cb 0.81 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 1ib1 h PRO 185 CO 0.57 -0.00 -0.02 1.05 -0.21 0.00 0.00 178.00 179.38 1ib1 h GLU 186 N -0.01 0.00 -0.41 1.05 9.09 -1.96 0.82 114.58 123.16 1ib1 h GLU 186 Ca 0.23 -0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.52 1ib1 h GLU 186 Cb 0.35 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.44 1ib1 h GLU 186 CO -0.49 0.00 -0.21 -0.22 0.05 0.00 0.00 179.01 178.15 1ib1 h LYS 187 N 0.00 0.81 -0.35 1.06 3.11 -1.90 -1.50 116.57 117.81 1ib1 h LYS 187 Ca 0.05 -0.32 0.01 0.00 -2.81 0.00 0.00 60.65 57.58 1ib1 h LYS 187 Cb 0.07 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.24 1ib1 h LYS 187 CO -0.10 0.94 0.22 0.00 -2.81 0.00 0.00 179.45 177.70 1ib1 h ALA 188 N 1.06 0.44 -0.32 5.00 0.00 -0.61 -1.19 119.26 123.63 1ib1 h ALA 188 Ca 0.10 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1ib1 h ALA 188 Cb 0.72 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1ib1 h ALA 188 CO 0.06 -0.12 -0.17 0.00 0.00 0.00 0.00 179.25 179.01 1ib1 h SER 190 N 0.53 -0.26 -0.24 0.00 0.02 -0.78 0.22 113.55 113.04 1ib1 h SER 190 Ca 0.09 -0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.06 1ib1 h SER 190 Cb 0.60 0.07 -0.07 0.00 0.14 0.00 0.00 62.40 63.14 1ib1 h SER 190 CO 0.04 -0.13 -0.30 0.25 -1.14 0.00 0.00 176.83 175.55 1ib1 h LEU 191 N -0.38 -0.95 -0.02 5.07 7.12 -1.12 0.11 115.31 125.13 1ib1 h LEU 191 Ca -0.03 0.16 -0.00 0.00 0.13 0.00 0.00 57.88 58.13 1ib1 h LEU 191 Cb 0.29 0.43 -0.00 0.00 -0.53 0.00 0.00 40.66 40.85 1ib1 h LEU 191 CO 0.05 -0.32 0.01 0.00 -0.13 0.00 0.00 178.44 178.04 1ib1 h ALA 192 N 0.63 0.02 -0.25 1.25 0.00 -1.33 -2.31 119.26 117.28 1ib1 h ALA 192 Ca 0.13 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ib1 h ALA 192 Cb 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1ib1 h ALA 192 CO -0.41 -0.37 0.15 -0.22 0.00 0.00 0.00 179.25 178.40 1ib1 h LYS 193 N -0.18 0.34 -0.14 0.00 3.64 -0.26 -1.35 116.57 118.62 1ib1 h LYS 193 Ca 0.01 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1ib1 h LYS 193 Cb 0.21 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1ib1 h LYS 193 CO -0.00 0.26 -0.08 1.15 -2.27 0.00 0.00 179.45 178.52 1ib1 h THR 194 N 0.31 0.75 -0.27 1.00 2.02 -0.81 0.12 112.91 116.03 1ib1 h THR 194 Ca 0.09 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.32 1ib1 h THR 194 Cb 0.01 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 1ib1 h THR 194 CO -0.02 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.87 1ib1 h ALA 195 N 1.05 0.24 0.03 6.16 0.00 -1.23 0.38 119.26 125.90 1ib1 h ALA 195 Ca 0.08 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ib1 h ALA 195 Cb 0.19 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ib1 h ALA 195 CO -0.19 -0.41 -0.02 0.35 0.00 0.00 0.00 179.25 178.98 1ib1 h PHE 196 N 0.08 -0.04 -0.60 0.00 3.57 -0.87 -1.79 116.94 117.29 1ib1 h PHE 196 Ca 0.13 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1ib1 h PHE 196 Cb 0.17 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1ib1 h PHE 196 CO -0.21 0.05 0.40 -0.44 -2.23 0.00 0.00 178.31 175.88 1ib1 h ASP 197 N -0.13 0.68 -0.63 0.41 3.45 -0.45 0.26 116.42 120.01 1ib1 h ASP 197 Ca -0.00 -0.02 -0.06 0.00 0.43 0.00 0.00 57.03 57.39 1ib1 h ASP 197 Cb 0.11 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 38.69 1ib1 h ASP 197 CO 0.01 0.49 0.19 -0.33 -1.57 0.00 0.00 179.24 178.03 1ib1 h GLU 198 N 0.81 1.02 -0.27 3.56 5.08 -0.85 0.13 114.58 124.05 1ib1 h GLU 198 Ca 0.22 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1ib1 h GLU 198 Cb -0.08 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 1ib1 h GLU 198 CO -0.06 0.88 0.06 0.00 -1.00 0.00 0.00 179.01 178.90 1ib1 h ALA 199 N 1.23 0.36 -0.80 3.43 0.00 -0.72 -2.12 119.26 120.63 1ib1 h ALA 199 Ca 0.21 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ib1 h ALA 199 Cb 0.30 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1ib1 h ALA 199 CO -0.01 0.02 0.53 0.82 0.00 0.00 0.00 179.25 180.61 1ib1 h ILE 200 N 0.26 1.18 0.01 0.00 1.08 -0.46 -1.84 117.51 117.75 1ib1 h ILE 200 Ca 0.08 -0.36 0.02 0.00 -0.39 0.00 0.00 64.86 64.21 1ib1 h ILE 200 Cb 0.30 0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.05 1ib1 h ILE 200 CO 0.00 0.19 -0.12 0.00 -0.69 0.00 0.00 178.15 177.53 1ib1 h ALA 201 N 1.31 -0.15 -0.84 1.87 0.00 -0.48 -2.46 119.26 118.51 1ib1 h ALA 201 Ca 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1ib1 h ALA 201 Cb -0.08 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1ib1 h ALA 201 CO -0.08 -0.62 0.48 1.49 0.00 0.00 0.00 179.25 180.52 1ib1 h GLU 202 N -0.22 1.15 0.00 0.00 4.81 -1.01 0.14 114.58 119.45 1ib1 h GLU 202 Ca 0.04 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1ib1 h GLU 202 Cb 0.26 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1ib1 h GLU 202 CO -0.11 0.82 0.00 -0.07 -0.73 0.00 0.00 179.01 178.92 1ib1 h LEU 203 N 1.16 0.00 0.00 1.64 3.38 -0.90 -0.09 115.31 120.50 1ib1 h LEU 203 Ca 0.30 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.12 1ib1 h LEU 203 Cb -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1ib1 h LEU 203 CO -0.05 0.00 -1.20 0.44 0.09 0.00 0.00 178.44 177.71 1ib1 h ASP 204 N 0.00 0.00 0.20 -0.43 3.32 -0.63 -3.29 116.42 115.59 1ib1 h ASP 204 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ib1 h ASP 204 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1ib1 h ASP 204 CO 0.00 0.54 0.00 0.35 -1.72 0.00 0.00 179.24 178.41 1ib1 n THR 205 N -2.95 0.75 -2.32 0.35 -2.24 -0.05 -4.85 114.28 102.96 1ib1 n THR 205 Ca -0.07 0.19 -0.10 0.00 -2.27 0.00 0.00 64.05 61.80 1ib1 n THR 205 Cb 0.81 -1.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.01 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 -1.29 -0.90 -4.82 3.22 4.77 -1.24 -4.95 117.00 111.80 1ib1 n LEU 206 Ca 0.05 0.25 -0.29 0.00 -0.03 0.00 0.00 56.01 55.99 1ib1 n LEU 206 Cb 0.08 -1.89 0.13 0.00 -2.33 0.00 0.00 43.42 39.42 1ib1 n LEU 206 CO 0.08 -0.15 0.75 -0.94 -1.33 0.00 0.00 177.39 175.80 1ib1 s SER 207 N -2.00 3.59 0.07 -1.43 1.04 -1.26 -4.99 113.70 108.72 1ib1 s SER 207 Ca 0.00 0.82 0.11 0.00 0.48 0.00 0.00 55.95 57.36 1ib1 s SER 207 Cb 0.00 -1.29 -0.17 0.00 0.10 0.00 0.00 66.02 64.66 1ib1 s SER 207 CO 0.00 -2.49 1.02 -0.33 0.98 0.00 0.00 173.24 172.42 1ib1 h GLU 208 N -1.46 0.00 0.00 4.02 4.39 -1.99 -3.35 114.58 116.20 1ib1 h GLU 208 Ca -0.48 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 1ib1 h GLU 208 Cb 1.32 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1ib1 h GLU 208 CO 0.59 0.65 -0.12 0.93 -1.16 0.00 0.00 179.01 179.91 1ib1 h GLU 209 N 0.00 0.00 -6.98 2.33 3.07 -2.01 -3.45 114.58 107.54 1ib1 h GLU 209 Ca -0.13 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.22 1ib1 h GLU 209 Cb 1.78 0.00 0.21 0.00 -0.84 0.00 0.00 28.75 29.90 1ib1 h GLU 209 CO 0.09 0.12 -0.29 0.43 -1.40 0.00 0.00 179.01 177.96 1ib1 n SER 210 N -3.45 -1.21 -0.10 1.42 7.64 -1.26 -5.01 113.62 111.65 1ib1 n SER 210 Ca -0.01 0.27 -0.17 0.00 1.01 0.00 0.00 58.87 59.97 1ib1 n SER 210 Cb 0.28 -1.28 -0.08 0.00 -1.01 0.00 0.00 64.21 62.11 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 -4.06 0.81 -1.44 1.43 4.02 -1.26 -4.95 117.16 111.70 1ib1 n TYR 211 Ca 0.08 0.35 -0.14 0.00 -0.01 0.00 0.00 57.90 58.18 1ib1 n TYR 211 Cb 0.54 -0.96 -0.06 0.00 -0.02 0.00 0.00 39.34 38.85 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 -4.47 -1.33 -0.04 -0.72 0.00 -1.26 -4.72 118.16 105.61 1ib1 n LYS 212 Ca -0.26 0.81 -0.01 0.00 -0.00 0.00 0.00 58.31 58.85 1ib1 n LYS 212 Cb 0.57 -5.08 -0.11 0.00 -0.00 0.00 0.00 35.03 30.41 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 -0.62 1.72 -1.80 -5.58 8.00 -1.26 -4.57 116.55 112.44 1ib1 n ASP 213 Ca -0.14 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.27 1ib1 n ASP 213 Cb 0.46 1.16 0.21 0.00 -0.02 0.00 0.00 41.12 42.94 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 -2.29 4.04 -0.24 -2.24 3.41 -1.26 -4.64 113.62 110.39 1ib1 n SER 214 Ca -0.14 -3.03 0.05 0.00 -0.26 0.00 0.00 58.87 55.49 1ib1 n SER 214 Cb 0.71 -0.71 0.17 0.00 -0.26 0.00 0.00 64.21 64.12 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 1.74 0.57 -0.18 6.66 2.02 -1.95 -2.31 112.91 119.46 1ib1 h THR 215 Ca 0.29 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.36 1ib1 h THR 215 Cb 2.12 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 1ib1 h THR 215 CO 0.66 0.06 0.11 0.25 0.37 0.00 0.00 175.52 176.97 1ib1 h LEU 216 N 0.32 0.21 -2.35 2.58 5.85 -1.98 -0.96 115.31 118.98 1ib1 h LEU 216 Ca 0.40 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.08 1ib1 h LEU 216 Cb 0.66 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1ib1 h LEU 216 CO -0.47 0.20 0.00 0.40 -0.34 0.00 0.00 178.44 178.23 1ib1 h ILE 217 N 0.21 0.64 0.24 4.05 2.04 -1.79 0.61 117.51 123.51 1ib1 h ILE 217 Ca 0.06 0.00 -0.32 0.00 1.00 0.00 0.00 64.86 65.60 1ib1 h ILE 217 Cb 0.02 1.00 0.04 0.00 -0.74 0.00 0.00 36.82 37.13 1ib1 h ILE 217 CO -0.01 0.00 -1.42 0.24 0.00 0.00 0.00 178.15 176.96 1ib1 h MET 218 N 0.00 0.51 -0.78 2.37 2.86 -1.00 -2.07 114.93 116.82 1ib1 h MET 218 Ca 0.00 -0.86 -0.03 0.00 -2.06 0.00 0.00 59.70 56.74 1ib1 h MET 218 Cb 0.01 0.32 -0.04 0.00 0.06 0.00 0.00 31.60 31.96 1ib1 h MET 218 CO -0.00 1.41 0.35 1.96 1.06 0.00 0.00 176.91 181.70 1ib1 h GLN 219 N 0.08 1.14 -0.72 1.72 1.08 -0.12 -0.71 115.11 117.58 1ib1 h GLN 219 Ca -0.25 -0.18 0.03 0.00 -1.45 0.00 0.00 58.65 56.80 1ib1 h GLN 219 Cb 2.10 -0.20 -0.05 0.00 -0.05 0.00 0.00 27.48 29.29 1ib1 h GLN 219 CO 0.26 0.90 0.45 -0.07 -0.95 0.00 0.00 178.83 179.41 1ib1 h LEU 220 N 1.11 0.73 -0.24 1.46 4.07 -0.95 0.10 115.31 121.60 1ib1 h LEU 220 Ca 0.26 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.21 1ib1 h LEU 220 Cb 0.15 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1ib1 h LEU 220 CO -0.03 0.51 0.08 -0.07 -1.08 0.00 0.00 178.44 177.85 1ib1 h LEU 221 N 0.87 0.34 -0.81 1.67 3.38 -0.64 -2.25 115.31 117.87 1ib1 h LEU 221 Ca 0.29 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1ib1 h LEU 221 Cb 0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1ib1 h LEU 221 CO -0.11 0.43 -0.35 0.08 0.09 0.00 0.00 178.44 178.58 1ib1 h ARG 222 N 0.22 0.48 -0.67 1.13 0.11 -0.74 -2.18 114.38 112.74 1ib1 h ARG 222 Ca 0.08 -0.22 0.02 0.00 0.10 0.00 0.00 59.98 59.96 1ib1 h ARG 222 Cb 0.21 -0.01 -0.04 0.00 1.11 0.00 0.00 29.97 31.24 1ib1 h ARG 222 CO -0.00 0.77 0.43 -0.44 0.10 0.00 0.00 179.97 180.83 1ib1 h ASP 223 N 0.41 0.72 -0.50 0.08 5.19 -0.65 0.21 116.42 121.88 1ib1 h ASP 223 Ca 0.04 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.38 1ib1 h ASP 223 Cb 0.81 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.13 1ib1 h ASP 223 CO 0.07 0.51 0.08 0.78 -3.12 0.00 0.00 179.24 177.56 1ib1 h ASN 224 N 0.86 0.83 -0.03 6.45 4.21 -1.20 0.54 115.58 127.25 1ib1 h ASN 224 Ca 0.26 -0.18 -0.00 0.00 1.21 0.00 0.00 56.30 57.59 1ib1 h ASN 224 Cb -0.03 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 36.94 1ib1 h ASN 224 CO -0.08 0.85 0.01 -0.07 -1.29 0.00 0.00 177.43 176.84 1ib1 h LEU 225 N 0.83 0.05 -1.07 1.61 4.07 -0.57 0.12 115.31 120.35 1ib1 h LEU 225 Ca 0.17 -0.25 0.10 0.00 0.08 0.00 0.00 57.88 57.99 1ib1 h LEU 225 Cb 0.38 -0.01 -0.07 0.00 1.08 0.00 0.00 40.66 42.03 1ib1 h LEU 225 CO 0.01 0.29 0.62 0.74 -1.08 0.00 0.00 178.44 179.02 1ib1 h THR 226 N -0.18 0.97 -0.31 0.22 2.02 -0.31 -0.91 112.91 114.41 1ib1 h THR 226 Ca 0.01 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 1ib1 h THR 226 Cb 0.26 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 1ib1 h THR 226 CO 0.00 0.18 0.05 0.25 0.37 0.00 0.00 175.52 176.38 1ib1 h LEU 227 N 1.00 0.48 -0.89 2.58 5.85 -0.47 -3.51 115.31 120.36 1ib1 h LEU 227 Ca 0.46 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1ib1 h LEU 227 Cb 0.40 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1ib1 h LEU 227 CO -0.22 0.61 0.00 0.79 -0.34 0.00 0.00 178.44 179.29