#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2piy s HIS 7 N 0.00 3.58 -0.03 1.61 5.04 -1.26 -5.05 115.29 119.18 2piy s HIS 7 Ca 0.00 1.74 -0.02 0.00 -1.54 0.00 0.00 55.06 55.23 2piy s HIS 7 Cb 0.00 -3.10 0.01 0.00 0.04 0.00 0.00 32.58 29.53 2piy s HIS 7 CO 0.00 -0.22 0.07 0.45 -2.34 0.00 0.00 174.74 172.70 2piy s SER 8 N -1.32 -0.07 0.02 9.88 0.15 -1.26 -5.03 113.70 116.07 2piy s SER 8 Ca 0.49 0.15 0.29 0.00 0.70 0.00 0.00 55.95 57.58 2piy s SER 8 Cb -0.25 0.14 1.17 0.00 -1.71 0.00 0.00 66.02 65.37 2piy s SER 8 CO 0.31 -0.03 1.89 -1.22 1.20 0.00 0.00 173.24 175.39 2piy n TYR 9 N 3.12 0.08 -0.66 3.44 4.01 -1.26 -3.38 117.16 122.51 2piy n TYR 9 Ca -0.13 0.02 0.07 0.00 -0.16 0.00 0.00 57.90 57.70 2piy n TYR 9 Cb 0.59 -0.53 0.19 0.00 -0.31 0.00 0.00 39.34 39.28 2piy n TYR 9 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2piy n GLU 10 N -1.57 2.73 -4.20 -0.72 1.02 -1.26 -4.78 120.64 111.86 2piy n GLU 10 Ca 0.07 -2.45 -0.12 0.00 -0.02 0.00 0.00 57.16 54.64 2piy n GLU 10 Cb 0.35 -1.55 -0.10 0.00 -0.02 0.00 0.00 31.44 30.11 2piy n GLU 10 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2piy s LYS 11 N -2.11 0.97 -0.02 3.49 1.02 -1.22 -4.75 119.74 117.13 2piy s LYS 11 Ca 0.31 -1.44 -0.28 0.00 0.02 0.00 0.00 55.97 54.58 2piy s LYS 11 Cb 0.24 -0.14 -0.03 0.00 -0.52 0.00 0.00 37.83 37.38 2piy s LYS 11 CO 0.10 -0.12 0.91 0.71 -0.92 0.00 0.00 175.35 176.03 2piy s TYR 12 N -3.73 3.64 -0.10 3.18 2.02 -1.26 -4.73 117.35 116.37 2piy s TYR 12 Ca 0.19 1.59 -0.02 0.00 -0.37 0.00 0.00 57.07 58.46 2piy s TYR 12 Cb 0.06 -3.05 -0.03 0.00 -0.40 0.00 0.00 41.96 38.54 2piy s TYR 12 CO 0.00 0.01 0.00 -0.80 -1.57 0.00 0.00 175.55 173.20 2piy s ASN 13 N 0.96 5.21 0.98 2.29 0.01 -1.26 -5.01 114.94 118.12 2piy s ASN 13 Ca 0.49 0.11 -0.13 0.00 -0.71 0.00 0.00 52.86 52.61 2piy s ASN 13 Cb -0.20 -1.54 0.18 0.00 0.41 0.00 0.00 41.25 40.09 2piy s ASN 13 CO 0.26 0.34 1.14 0.54 -1.51 0.00 0.00 177.10 177.86 2piy s ASN 14 N -0.66 2.91 0.19 -1.22 2.20 -1.26 -4.71 114.94 112.39 2piy s ASN 14 Ca 0.11 0.92 -0.12 0.00 -0.94 0.00 0.00 52.86 52.83 2piy s ASN 14 Cb -0.12 -1.44 0.11 0.00 -2.00 0.00 0.00 41.25 37.80 2piy s ASN 14 CO 0.02 -2.92 1.81 -0.25 -2.94 0.00 0.00 177.10 172.83 2piy h TRP 15 N -1.75 0.87 -0.87 1.54 2.91 -1.96 -0.58 115.95 116.11 2piy h TRP 15 Ca -0.51 -0.01 0.11 0.00 1.13 0.00 0.00 58.89 59.61 2piy h TRP 15 Cb 1.32 -0.28 -0.08 0.00 -0.51 0.00 0.00 29.16 29.61 2piy h TRP 15 CO -0.11 0.61 0.50 1.49 -1.03 0.00 0.00 178.44 179.90 2piy h GLU 16 N 0.88 0.79 -0.26 2.65 4.81 -1.99 0.34 114.58 121.81 2piy h GLU 16 Ca 0.23 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.30 2piy h GLU 16 Cb 0.01 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 2piy h GLU 16 CO -0.04 0.52 -0.27 1.15 -0.73 0.00 0.00 179.01 179.64 2piy h THR 17 N 0.81 1.31 -0.46 0.32 2.02 -1.73 -1.60 112.91 113.58 2piy h THR 17 Ca 0.43 -1.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.15 2piy h THR 17 Cb 0.43 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 2piy h THR 17 CO -0.27 0.45 0.20 0.40 0.37 0.00 0.00 175.52 176.68 2piy h ILE 18 N 0.36 1.20 -0.24 3.11 2.04 -0.36 0.13 117.51 123.75 2piy h ILE 18 Ca 0.04 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.35 2piy h ILE 18 Cb 0.83 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 2piy h ILE 18 CO 0.07 0.22 0.03 -0.08 0.00 0.00 0.00 178.15 178.39 2piy h GLU 19 N 0.60 0.12 -0.90 2.37 4.81 -0.32 0.15 114.58 121.41 2piy h GLU 19 Ca 0.16 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 2piy h GLU 19 Cb 0.16 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.46 2piy h GLU 19 CO -0.02 0.08 0.59 0.00 -0.73 0.00 0.00 179.01 178.93 2piy h ALA 20 N 1.18 1.39 -0.72 2.92 0.00 -1.09 -2.24 119.26 120.71 2piy h ALA 20 Ca 0.11 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2piy h ALA 20 Cb 0.12 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2piy h ALA 20 CO -0.16 0.55 0.25 2.35 0.00 0.00 0.00 179.25 182.24 2piy h TRP 21 N 1.18 1.12 -0.37 0.00 7.01 -0.07 -0.88 115.95 123.93 2piy h TRP 21 Ca 0.34 -0.09 -0.02 0.00 2.11 0.00 0.00 58.89 61.23 2piy h TRP 21 Cb -0.08 -0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 26.63 2piy h TRP 21 CO -0.00 0.87 0.15 1.79 -2.79 0.00 0.00 178.44 178.46 2piy h THR 22 N 1.06 1.14 -0.04 2.65 1.35 -0.39 0.86 112.91 119.55 2piy h THR 22 Ca 0.24 -0.45 -0.12 0.00 -0.55 0.00 0.00 66.41 65.53 2piy h THR 22 Cb 0.25 0.70 0.01 0.00 -1.73 0.00 0.00 68.15 67.38 2piy h THR 22 CO -0.01 0.17 -0.46 0.50 -0.25 0.00 0.00 175.52 175.47 2piy h LYS 23 N 0.52 0.38 -0.28 4.72 3.64 -1.25 -3.13 116.57 121.16 2piy h LYS 23 Ca 0.13 -0.36 -0.11 0.00 -1.27 0.00 0.00 60.65 59.05 2piy h LYS 23 Cb 0.11 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2piy h LYS 23 CO -0.01 1.02 -0.23 0.37 -2.27 0.00 0.00 179.45 178.32 2piy h GLN 24 N -0.12 0.66 0.00 1.90 4.15 -0.78 -1.85 115.11 119.07 2piy h GLN 24 Ca -0.05 -0.33 -0.08 0.00 0.77 0.00 0.00 58.65 58.96 2piy h GLN 24 Cb 1.14 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.82 2piy h GLN 24 CO 0.09 0.93 -0.40 -0.24 -1.93 0.00 0.00 178.83 177.29 2piy h VAL 25 N 0.40 1.11 -0.22 2.39 3.04 -0.98 -1.32 116.25 120.68 2piy h VAL 25 Ca 0.05 -1.44 -0.14 0.00 -1.01 0.00 0.00 66.70 64.16 2piy h VAL 25 Cb 0.79 1.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.89 2piy h VAL 25 CO 0.06 0.39 -0.42 0.74 -1.01 0.00 0.00 177.57 177.33 2piy h THR 26 N 0.00 1.32 -0.08 3.17 2.02 -1.47 -2.84 112.91 115.03 2piy h THR 26 Ca -0.00 -1.64 -0.07 0.00 0.77 0.00 0.00 66.41 65.47 2piy h THR 26 Cb 0.78 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 2piy h THR 26 CO 0.05 0.51 -0.26 0.77 0.37 0.00 0.00 175.52 176.97 2piy h SER 27 N 0.37 0.13 1.64 4.18 4.64 -0.90 -2.69 113.55 120.93 2piy h SER 27 Ca 0.01 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2piy h SER 27 Cb 1.02 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2piy h SER 27 CO 0.09 0.40 0.00 -0.33 -0.87 0.00 0.00 176.83 176.12 2piy h GLU 28 N 0.13 0.00 -2.05 4.77 5.08 -1.23 -3.36 114.58 117.91 2piy h GLU 28 Ca 0.02 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.84 2piy h GLU 28 Cb 0.53 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.38 2piy h GLU 28 CO 0.04 0.00 -1.05 0.09 -1.00 0.00 0.00 179.01 177.09 2piy n ASN 29 N -2.59 1.20 0.30 1.42 3.02 -1.02 -4.95 115.26 112.63 2piy n ASN 29 Ca 0.05 -2.98 0.18 0.00 -0.03 0.00 0.00 54.58 51.79 2piy n ASN 29 Cb 0.46 -0.63 0.88 0.00 -0.61 0.00 0.00 39.78 39.88 2piy n ASN 29 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2piy h PRO 30 N 3.54 0.00 -0.07 3.52 0.13 -1.70 -0.91 132.00 136.51 2piy h PRO 30 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2piy h PRO 30 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2piy h PRO 30 CO 0.55 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 178.10 2piy n ASP 31 N -3.22 2.18 0.00 1.44 8.00 -1.26 -4.35 116.55 119.35 2piy n ASP 31 Ca -0.01 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 53.75 2piy n ASP 31 Cb 0.21 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 2piy n ASP 31 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2piy n LEU 32 N 0.69 0.00 -3.91 0.64 7.94 -0.92 -4.36 117.00 117.09 2piy n LEU 32 Ca 0.17 -0.03 -0.20 0.00 -1.11 0.00 0.00 56.01 54.85 2piy n LEU 32 Cb 0.45 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.24 2piy n LEU 32 CO 0.15 0.00 -0.41 -0.63 -1.11 0.00 0.00 177.39 175.39 2piy s ILE 33 N -0.44 0.55 0.14 1.96 1.01 -0.39 -0.14 121.20 123.89 2piy s ILE 33 Ca 0.00 -0.15 0.11 0.00 0.00 0.00 0.00 60.65 60.60 2piy s ILE 33 Cb 0.00 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 2piy s ILE 33 CO 0.00 0.22 -0.25 -0.44 0.00 0.00 0.00 174.94 174.46 2piy s SER 34 N 0.75 3.24 -0.03 3.58 0.01 -0.69 -4.60 113.70 115.96 2piy s SER 34 Ca -0.10 -0.77 0.06 0.00 1.31 0.00 0.00 55.95 56.45 2piy s SER 34 Cb -0.13 -0.22 -0.01 0.00 0.21 0.00 0.00 66.02 65.87 2piy s SER 34 CO 0.00 0.15 -0.23 -0.60 0.41 0.00 0.00 173.24 172.97 2piy s ARG 35 N -2.19 2.04 0.28 12.44 3.52 -1.26 -0.34 118.95 133.43 2piy s ARG 35 Ca 0.15 -0.81 0.02 0.00 -0.13 0.00 0.00 55.73 54.96 2piy s ARG 35 Cb -0.09 -1.86 -0.04 0.00 -1.56 0.00 0.00 34.95 31.39 2piy s ARG 35 CO 0.07 0.42 0.16 0.95 -0.81 0.00 0.00 175.30 176.09 2piy s THR 36 N -0.34 0.22 -0.08 4.11 -4.23 -0.53 -4.99 115.64 109.80 2piy s THR 36 Ca 0.03 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.58 2piy s THR 36 Cb -0.11 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 2piy s THR 36 CO 0.01 0.00 -0.21 0.00 -0.54 0.00 0.00 174.62 173.87 2piy s ALA 37 N -3.75 2.30 -2.50 3.99 0.00 -1.26 -0.07 121.76 120.47 2piy s ALA 37 Ca 0.37 -0.99 0.24 0.00 0.00 0.00 0.00 51.96 51.59 2piy s ALA 37 Cb 0.05 -0.84 0.29 0.00 0.00 0.00 0.00 23.12 22.62 2piy s ALA 37 CO 0.17 0.36 1.30 0.44 0.00 0.00 0.00 175.76 178.03 2piy n ILE 38 N 3.16 0.00 -3.65 0.00 -5.35 -0.43 -4.97 119.36 108.12 2piy n ILE 38 Ca -0.18 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 2piy n ILE 38 Cb 0.52 1.19 0.00 0.00 -1.74 0.00 0.00 39.64 39.61 2piy n ILE 38 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2piy n GLY 39 N 1.35 -1.48 3.32 3.28 0.00 -1.26 -4.83 105.19 105.58 2piy n GLY 39 Ca 0.13 -1.20 -0.20 0.00 0.00 0.00 0.00 46.02 44.75 2piy n GLY 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2piy s THR 40 N -2.93 1.70 0.90 2.61 -4.23 -1.26 -0.97 115.64 111.46 2piy s THR 40 Ca 0.00 -1.98 -0.13 0.00 -1.18 0.00 0.00 61.69 58.40 2piy s THR 40 Cb 0.00 -1.85 0.16 0.00 1.34 0.00 0.00 72.50 72.15 2piy s THR 40 CO 0.00 -0.43 1.25 0.42 -0.54 0.00 0.00 174.62 175.32 2piy s THR 41 N -2.37 2.03 0.34 3.99 -4.23 0.04 -4.47 115.64 110.96 2piy s THR 41 Ca 0.17 -0.07 0.08 0.00 -1.18 0.00 0.00 61.69 60.68 2piy s THR 41 Cb -0.04 -2.96 0.32 0.00 1.34 0.00 0.00 72.50 71.16 2piy s THR 41 CO 0.06 0.00 1.83 0.15 -0.54 0.00 0.00 174.62 176.12 2piy h PHE 42 N -1.37 0.92 -0.03 3.99 3.57 -1.96 -1.00 116.94 121.06 2piy h PHE 42 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2piy h PHE 42 Cb 1.26 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.72 2piy h PHE 42 CO -0.71 0.29 0.00 1.28 -2.23 0.00 0.00 178.31 176.94 2piy n LEU 43 N -4.62 1.62 0.00 0.59 4.77 -1.26 -4.94 117.00 113.16 2piy n LEU 43 Ca 0.20 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 2piy n LEU 43 Cb 0.51 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2piy n LEU 43 CO 0.27 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2piy n GLY 44 N 1.19 0.86 3.81 -0.72 0.00 -0.38 -5.08 105.19 104.87 2piy n GLY 44 Ca 0.18 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2piy n GLY 44 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2piy s ASN 45 N -2.15 7.09 0.03 1.61 0.01 -1.26 -4.71 114.94 115.56 2piy s ASN 45 Ca 0.00 1.53 -0.30 0.00 -0.71 0.00 0.00 52.86 53.37 2piy s ASN 45 Cb 0.00 -2.46 -0.05 0.00 0.41 0.00 0.00 41.25 39.15 2piy s ASN 45 CO 0.00 -0.04 1.15 0.20 -1.51 0.00 0.00 177.10 176.90 2piy s ASN 46 N -1.73 7.14 -0.79 -1.22 0.01 -1.26 -0.78 114.94 116.31 2piy s ASN 46 Ca 0.47 1.90 -0.20 0.00 -0.71 0.00 0.00 52.86 54.32 2piy s ASN 46 Cb -0.16 -2.57 0.11 0.00 0.41 0.00 0.00 41.25 39.04 2piy s ASN 46 CO 0.21 -0.44 1.00 -0.63 -1.51 0.00 0.00 177.10 175.73 2piy s ILE 47 N 1.23 4.64 0.37 0.60 1.01 -0.14 -4.95 121.20 123.96 2piy s ILE 47 Ca 0.57 -1.12 -0.24 0.00 0.00 0.00 0.00 60.65 59.85 2piy s ILE 47 Cb -0.27 -4.70 -0.10 0.00 0.01 0.00 0.00 42.46 37.41 2piy s ILE 47 CO 0.28 -1.42 0.97 -0.31 0.00 0.00 0.00 174.94 174.46 2piy s TYR 48 N 3.05 3.48 -0.04 3.97 2.02 -1.26 -1.32 117.35 127.25 2piy s TYR 48 Ca 0.26 1.70 0.02 0.00 -0.37 0.00 0.00 57.07 58.67 2piy s TYR 48 Cb -0.12 -2.95 0.01 0.00 -0.40 0.00 0.00 41.96 38.50 2piy s TYR 48 CO -0.01 -0.09 -0.08 -1.17 -1.57 0.00 0.00 175.55 172.63 2piy s LEU 49 N -2.52 1.60 -0.15 -1.29 2.96 0.90 -4.22 118.68 115.95 2piy s LEU 49 Ca 0.55 -0.19 -0.06 0.00 -0.22 0.00 0.00 54.13 54.22 2piy s LEU 49 Cb -0.17 -0.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.91 2piy s LEU 49 CO 0.22 0.02 0.05 -0.76 -1.32 0.00 0.00 176.35 174.55 2piy s LEU 50 N 0.55 3.79 -0.37 -0.68 1.43 0.28 -1.45 118.68 122.23 2piy s LEU 50 Ca -0.09 0.13 -0.08 0.00 -1.03 0.00 0.00 54.13 53.06 2piy s LEU 50 Cb -0.12 -1.93 0.05 0.00 0.03 0.00 0.00 46.19 44.21 2piy s LEU 50 CO 0.01 0.25 0.16 -0.75 0.23 0.00 0.00 176.35 176.26 2piy s LYS 51 N -0.09 2.65 -0.21 1.70 2.20 0.53 -0.28 119.74 126.24 2piy s LYS 51 Ca 0.06 -1.23 -0.07 0.00 -0.36 0.00 0.00 55.97 54.37 2piy s LYS 51 Cb -0.12 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 2piy s LYS 51 CO 0.01 -0.74 0.07 0.08 -0.36 0.00 0.00 175.35 174.41 2piy s VAL 52 N 1.44 4.56 0.00 4.02 1.01 0.64 -1.70 120.40 130.37 2piy s VAL 52 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.88 2piy s VAL 52 Cb -0.20 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.09 2piy s VAL 52 CO 0.03 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.14 2piy n GLY 53 N 4.20 3.16 3.65 4.51 0.00 0.81 0.01 105.19 121.52 2piy n GLY 53 Ca -0.16 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 2piy n GLY 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2piy s LYS 54 N -2.10 4.12 0.28 1.61 2.47 0.10 -4.30 119.74 121.92 2piy s LYS 54 Ca 0.00 1.26 -0.30 0.00 -1.56 0.00 0.00 55.97 55.37 2piy s LYS 54 Cb 0.00 -3.74 -0.13 0.00 -1.46 0.00 0.00 37.83 32.51 2piy s LYS 54 CO 0.00 -0.83 1.40 -2.30 0.16 0.00 0.00 175.35 173.78 2piy n PRO 55 N 6.75 2.15 -3.82 4.03 -0.02 -1.26 -4.79 135.00 138.04 2piy n PRO 55 Ca 0.13 0.76 -0.05 0.00 -2.02 0.00 0.00 63.50 62.31 2piy n PRO 55 Cb 0.46 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2piy n PRO 55 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2piy s GLY 56 N 0.15 0.05 0.05 -1.23 0.00 -1.26 -5.14 107.32 99.93 2piy s GLY 56 Ca 0.64 -0.32 -0.31 0.00 0.00 0.00 0.00 44.72 44.74 2piy s GLY 56 CO 0.53 0.51 1.36 2.56 0.00 0.00 0.00 173.10 178.06 2piy s PRO 57 N -2.86 4.32 -0.39 2.90 0.04 -1.26 -4.41 135.00 133.34 2piy s PRO 57 Ca 0.15 1.97 -0.12 0.00 0.04 0.00 0.00 61.00 63.04 2piy s PRO 57 Cb -0.04 -3.42 0.02 0.00 0.04 0.00 0.00 34.50 31.10 2piy s PRO 57 CO 0.06 -0.47 0.38 0.27 0.04 0.00 0.00 177.00 177.29 2piy n ASN 58 N 4.64 -3.10 -4.86 6.66 6.94 -1.26 -4.92 115.26 119.36 2piy n ASN 58 Ca 0.12 -0.36 -0.35 0.00 -0.02 0.00 0.00 54.58 53.96 2piy n ASN 58 Cb 0.44 -0.97 -0.06 0.00 -2.36 0.00 0.00 39.78 36.84 2piy n ASN 58 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2piy s LYS 59 N -2.70 3.78 0.97 -3.83 1.02 -1.26 -5.09 119.74 112.62 2piy s LYS 59 Ca 0.11 0.20 -0.12 0.00 0.02 0.00 0.00 55.97 56.19 2piy s LYS 59 Cb -0.01 -3.03 0.17 0.00 -0.52 0.00 0.00 37.83 34.44 2piy s LYS 59 CO 0.54 0.58 1.08 -2.14 -0.92 0.00 0.00 175.35 174.50 2piy s PRO 60 N -1.77 0.65 0.03 -1.68 0.02 -1.26 -4.73 135.00 126.26 2piy s PRO 60 Ca 0.31 0.86 -0.06 0.00 0.02 0.00 0.00 61.00 62.13 2piy s PRO 60 Cb -0.14 -1.74 -0.01 0.00 0.02 0.00 0.00 34.50 32.64 2piy s PRO 60 CO 0.17 -2.67 0.11 0.00 -0.33 0.00 0.00 177.00 174.28 2piy s ALA 61 N -2.81 -0.17 -0.09 -1.55 0.00 0.48 -1.43 121.76 116.19 2piy s ALA 61 Ca 0.65 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.21 2piy s ALA 61 Cb -0.20 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 2piy s ALA 61 CO 0.59 -0.28 -0.08 0.42 0.00 0.00 0.00 175.76 176.40 2piy s ILE 62 N -2.20 3.59 -0.17 0.00 1.01 -0.13 -0.95 121.20 122.36 2piy s ILE 62 Ca -0.08 -0.50 -0.04 0.00 0.00 0.00 0.00 60.65 60.03 2piy s ILE 62 Cb -0.03 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 2piy s ILE 62 CO -0.03 0.57 -0.03 0.12 0.00 0.00 0.00 174.94 175.57 2piy s PHE 63 N -0.42 3.01 -0.05 3.97 5.36 -0.34 -0.53 117.98 128.98 2piy s PHE 63 Ca 0.06 -0.40 0.03 0.00 -0.96 0.00 0.00 56.93 55.65 2piy s PHE 63 Cb -0.12 -1.99 0.01 0.00 -0.34 0.00 0.00 43.02 40.57 2piy s PHE 63 CO 0.02 -0.13 -0.12 1.41 -1.46 0.00 0.00 175.22 174.94 2piy s MET 64 N 0.60 1.45 0.21 10.12 -2.45 0.51 -0.41 119.30 129.33 2piy s MET 64 Ca -0.03 -0.41 0.10 0.00 -1.25 0.00 0.00 55.69 54.11 2piy s MET 64 Cb -0.14 -1.25 -0.05 0.00 1.25 0.00 0.00 34.83 34.64 2piy s MET 64 CO 0.02 0.10 -0.20 0.16 1.05 0.00 0.00 175.02 176.15 2piy s ASP 65 N 0.39 3.18 0.20 1.11 1.47 -0.45 -1.19 116.67 121.38 2piy s ASP 65 Ca -0.09 -0.92 0.04 0.00 1.18 0.00 0.00 52.55 52.76 2piy s ASP 65 Cb -0.13 -0.23 -0.05 0.00 -0.34 0.00 0.00 42.92 42.18 2piy s ASP 65 CO 0.02 0.03 -0.04 0.00 0.68 0.00 0.00 175.17 175.86 2piy n GLY 67 N -0.34 0.31 0.21 0.00 0.00 -1.25 -1.89 105.19 102.22 2piy n GLY 67 Ca -0.07 -0.62 -0.01 0.00 0.00 0.00 0.00 46.02 45.32 2piy n GLY 67 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2piy h PHE 68 N 0.00 0.25 -3.40 1.61 -1.00 -1.91 -1.83 116.94 110.66 2piy h PHE 68 Ca -0.17 0.03 -0.65 0.00 2.81 0.00 0.00 57.97 60.00 2piy h PHE 68 Cb 0.95 -0.03 -0.24 0.00 3.61 0.00 0.00 35.95 40.24 2piy h PHE 68 CO 0.20 0.03 -0.69 -1.01 -1.61 0.00 0.00 178.31 175.23 2piy s HIS 69 N -6.12 3.00 0.25 -0.55 3.76 -1.26 -4.47 115.29 109.89 2piy s HIS 69 Ca -0.13 -0.57 -0.06 0.00 -0.15 0.00 0.00 55.06 54.15 2piy s HIS 69 Cb 0.16 -2.05 0.26 0.00 1.11 0.00 0.00 32.58 32.06 2piy s HIS 69 CO 0.73 -0.28 1.93 0.00 -0.85 0.00 0.00 174.74 176.27 2piy h ALA 70 N 7.46 1.27 0.00 -1.40 0.00 -1.61 -2.29 119.26 122.69 2piy h ALA 70 Ca -0.36 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2piy h ALA 70 Cb 1.18 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2piy h ALA 70 CO 0.60 0.65 0.00 2.89 0.00 0.00 0.00 179.25 183.40 2piy n ARG 71 N -4.39 0.15 -2.00 0.00 1.85 -0.57 -4.39 116.66 107.31 2piy n ARG 71 Ca 0.12 0.03 -0.41 0.00 -1.00 0.00 0.00 57.85 56.58 2piy n ARG 71 Cb 0.02 -1.50 -0.00 0.00 -1.05 0.00 0.00 32.46 29.92 2piy n ARG 71 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2piy n GLU 72 N -1.42 3.80 0.25 2.89 1.02 -0.86 -4.77 120.64 121.55 2piy n GLU 72 Ca 0.09 -3.18 0.08 0.00 -0.02 0.00 0.00 57.16 54.13 2piy n GLU 72 Cb 0.29 -2.88 0.63 0.00 -0.02 0.00 0.00 31.44 29.45 2piy n GLU 72 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 2piy h TRP 73 N 5.35 0.00 0.00 -0.32 4.06 -1.77 -0.56 115.95 122.71 2piy h TRP 73 Ca 0.58 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.50 2piy h TRP 73 Cb 0.49 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.64 2piy h TRP 73 CO 1.47 0.06 -0.14 0.97 -3.56 0.00 0.00 178.44 177.24 2piy h ILE 74 N 0.00 0.49 0.51 1.49 6.09 -1.86 -2.40 117.51 121.83 2piy h ILE 74 Ca -0.00 -0.68 -0.03 0.00 -1.37 0.00 0.00 64.86 62.79 2piy h ILE 74 Cb 0.10 1.46 0.01 0.00 0.47 0.00 0.00 36.82 38.86 2piy h ILE 74 CO 0.01 0.13 -0.25 -1.28 -3.07 0.00 0.00 178.15 173.69 2piy h SER 75 N 0.00 -0.58 -0.82 2.19 0.87 -1.39 -1.55 113.55 112.26 2piy h SER 75 Ca -0.00 -0.02 0.10 0.00 -1.23 0.00 0.00 61.79 60.64 2piy h SER 75 Cb 0.45 0.15 -0.08 0.00 -0.44 0.00 0.00 62.40 62.49 2piy h SER 75 CO 0.02 -0.35 0.46 0.45 -0.53 0.00 0.00 176.83 176.88 2piy h HIS 76 N -0.79 0.83 -0.60 2.24 3.86 -1.60 -1.30 115.15 117.80 2piy h HIS 76 Ca -0.07 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 2piy h HIS 76 Cb 0.57 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.76 2piy h HIS 76 CO -0.02 0.32 0.28 0.00 0.86 0.00 0.00 177.93 179.37 2piy h ALA 77 N 1.47 1.37 -0.49 2.45 0.00 -1.30 -2.95 119.26 119.81 2piy h ALA 77 Ca 0.40 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 2piy h ALA 77 Cb 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2piy h ALA 77 CO -0.26 0.49 -0.18 0.35 0.00 0.00 0.00 179.25 179.64 2piy h PHE 78 N 0.84 1.13 -0.80 0.00 3.57 -0.18 -1.70 116.94 119.80 2piy h PHE 78 Ca 0.21 -0.26 0.03 0.00 3.53 0.00 0.00 57.97 61.47 2piy h PHE 78 Cb 0.09 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.52 2piy h PHE 78 CO 0.01 1.08 0.53 0.00 -2.23 0.00 0.00 178.31 177.70 2piy h GLN 80 N 1.01 0.84 -0.81 0.00 4.20 -1.43 -2.72 115.11 116.20 2piy h GLN 80 Ca 0.31 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2piy h GLN 80 Cb -0.01 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 2piy h GLN 80 CO -0.08 1.01 0.45 2.35 -0.67 0.00 0.00 178.83 181.89 2piy h TRP 81 N 0.64 1.11 -0.41 2.96 2.91 -0.51 -2.77 115.95 119.88 2piy h TRP 81 Ca 0.08 -0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.06 2piy h TRP 81 Cb 0.78 -0.35 -0.02 0.00 -0.51 0.00 0.00 29.16 29.06 2piy h TRP 81 CO 0.06 0.77 0.20 0.35 -1.03 0.00 0.00 178.44 178.78 2piy h PHE 82 N 1.12 0.60 -0.70 2.65 3.04 -0.89 -1.73 116.94 121.04 2piy h PHE 82 Ca 0.28 -0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.20 2piy h PHE 82 Cb 0.03 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.32 2piy h PHE 82 CO 0.00 0.50 0.43 0.28 -2.02 0.00 0.00 178.31 177.50 2piy h VAL 83 N 0.53 1.20 -0.52 1.41 2.07 -1.27 -0.71 116.25 118.96 2piy h VAL 83 Ca 0.14 -0.41 -0.11 0.00 0.82 0.00 0.00 66.70 67.13 2piy h VAL 83 Cb 0.13 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 2piy h VAL 83 CO -0.02 0.20 -0.12 -0.09 0.02 0.00 0.00 177.57 177.56 2piy h ARG 84 N 0.96 0.99 -0.94 1.57 2.43 -1.30 -1.76 114.38 116.33 2piy h ARG 84 Ca 0.25 -0.38 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2piy h ARG 84 Cb -0.05 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.40 2piy h ARG 84 CO -0.05 1.06 0.58 0.93 -1.51 0.00 0.00 179.97 180.97 2piy h GLU 85 N 0.86 1.26 -0.12 0.20 4.39 -0.87 -1.51 114.58 118.79 2piy h GLU 85 Ca 0.13 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 2piy h GLU 85 Cb 0.69 -0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2piy h GLU 85 CO 0.05 0.87 -0.01 0.00 -1.16 0.00 0.00 179.01 178.76 2piy h ALA 86 N 1.35 0.17 -0.14 3.43 0.00 -0.90 -1.24 119.26 121.93 2piy h ALA 86 Ca 0.34 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2piy h ALA 86 Cb -0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2piy h ALA 86 CO -0.07 -0.13 -0.34 -0.39 0.00 0.00 0.00 179.25 178.33 2piy h VAL 87 N -0.06 1.28 0.00 0.00 -1.51 -1.15 -2.58 116.25 112.23 2piy h VAL 87 Ca 0.03 -1.37 -0.21 0.00 -1.23 0.00 0.00 66.70 63.92 2piy h VAL 87 Cb 0.39 1.55 -0.04 0.00 -2.13 0.00 0.00 31.29 31.06 2piy h VAL 87 CO 0.01 0.41 -1.53 0.18 -1.23 0.00 0.00 177.57 175.41 2piy n LEU 88 N -4.08 0.86 0.00 4.19 4.77 -0.58 -3.99 117.00 118.17 2piy n LEU 88 Ca -0.01 0.39 0.11 0.00 -0.03 0.00 0.00 56.01 56.47 2piy n LEU 88 Cb 0.44 0.11 0.08 0.00 -2.33 0.00 0.00 43.42 41.72 2piy n LEU 88 CO 0.41 0.24 0.21 0.35 -1.33 0.00 0.00 177.39 177.27 2piy n THR 89 N -2.94 0.02 -1.87 -5.08 -2.24 -0.47 -4.81 114.28 96.88 2piy n THR 89 Ca -0.12 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 2piy n THR 89 Cb 0.92 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 2piy n THR 89 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2piy s TYR 90 N -3.02 2.91 0.00 4.78 5.04 -0.97 -1.69 117.35 124.39 2piy s TYR 90 Ca 0.09 0.50 0.00 0.00 -2.44 0.00 0.00 57.07 55.22 2piy s TYR 90 Cb 0.17 -3.99 0.00 0.00 0.35 0.00 0.00 41.96 38.48 2piy s TYR 90 CO 0.78 -3.75 0.00 0.41 -1.34 0.00 0.00 175.55 171.65 2piy n GLY 91 N 3.86 1.26 0.32 8.97 0.00 -1.26 -4.84 105.19 113.49 2piy n GLY 91 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 2piy n GLY 91 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2piy n TYR 92 N -2.00 0.00 -4.52 1.61 4.02 -0.68 -5.03 117.16 110.56 2piy n TYR 92 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.55 2piy n TYR 92 Cb 0.00 -0.37 -0.11 0.00 -0.02 0.00 0.00 39.34 38.84 2piy n TYR 92 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2piy s GLU 93 N -2.19 3.00 0.24 -0.72 2.12 -0.88 -5.03 118.70 115.24 2piy s GLU 93 Ca -0.14 -0.51 -0.06 0.00 0.36 0.00 0.00 54.97 54.63 2piy s GLU 93 Cb 0.04 -2.71 0.31 0.00 0.26 0.00 0.00 34.13 32.03 2piy s GLU 93 CO 0.21 0.58 1.86 0.66 -0.54 0.00 0.00 175.26 178.03 2piy h SER 94 N 5.53 0.86 0.25 -1.70 4.64 -1.96 -2.52 113.55 118.66 2piy h SER 94 Ca -0.45 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 2piy h SER 94 Cb 1.18 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2piy h SER 94 CO 0.55 0.57 -0.12 0.45 -0.87 0.00 0.00 176.83 177.41 2piy h HIS 95 N 1.01 -0.31 -0.37 4.77 3.86 -1.95 -1.17 115.15 120.97 2piy h HIS 95 Ca 0.36 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.53 2piy h HIS 95 Cb 0.11 0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 2piy h HIS 95 CO -0.03 0.06 0.09 1.98 0.86 0.00 0.00 177.93 180.89 2piy h MET 96 N -0.80 0.55 -0.13 2.45 -1.53 -1.88 0.73 114.93 114.32 2piy h MET 96 Ca -0.03 -0.09 -0.01 0.00 -3.44 0.00 0.00 59.70 56.13 2piy h MET 96 Cb 0.51 -0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 31.46 2piy h MET 96 CO 0.06 0.51 0.05 1.15 0.14 0.00 0.00 176.91 178.81 2piy h THR 97 N 0.54 1.14 -0.83 -0.77 2.02 -1.39 -1.64 112.91 111.99 2piy h THR 97 Ca 0.13 -0.43 0.01 0.00 0.77 0.00 0.00 66.41 66.89 2piy h THR 97 Cb 0.21 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 2piy h THR 97 CO -0.00 0.13 0.55 -0.08 0.37 0.00 0.00 175.52 176.48 2piy h GLU 98 N 0.05 1.08 -0.02 6.66 4.81 -0.73 -2.11 114.58 124.31 2piy h GLU 98 Ca 0.04 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2piy h GLU 98 Cb 0.16 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 2piy h GLU 98 CO -0.00 0.71 -0.16 0.74 -0.73 0.00 0.00 179.01 179.56 2piy h PHE 99 N 1.11 -0.43 0.00 0.92 0.05 -0.48 -2.39 116.94 115.72 2piy h PHE 99 Ca 0.31 0.02 0.00 0.00 3.82 0.00 0.00 57.97 62.11 2piy h PHE 99 Cb -0.11 0.19 0.00 0.00 2.00 0.00 0.00 35.95 38.03 2piy h PHE 99 CO -0.02 -0.24 -0.20 -0.07 -0.18 0.00 0.00 178.31 177.61 2piy h LEU 100 N -0.26 0.00 -0.07 1.54 3.38 -1.20 0.35 115.31 119.04 2piy h LEU 100 Ca 0.06 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 2piy h LEU 100 Cb 0.34 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.10 2piy h LEU 100 CO -0.18 0.03 -0.64 0.78 0.09 0.00 0.00 178.44 178.53 2piy h ASN 101 N 0.00 0.69 0.16 -0.43 2.35 -1.25 0.29 115.58 117.38 2piy h ASN 101 Ca 0.00 -0.68 -0.36 0.00 -0.55 0.00 0.00 56.30 54.71 2piy h ASN 101 Cb 0.76 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 2piy h ASN 101 CO 0.00 1.26 -1.88 0.50 -1.65 0.00 0.00 177.43 175.67 2piy h LYS 102 N 0.17 0.33 -5.34 0.81 3.11 -1.34 -3.45 116.57 110.86 2piy h LYS 102 Ca -0.06 -0.57 -0.43 0.00 -2.81 0.00 0.00 60.65 56.78 2piy h LYS 102 Cb 1.30 0.21 -0.14 0.00 -1.00 0.00 0.00 32.23 32.60 2piy h LYS 102 CO 0.13 1.27 -0.68 -0.48 -2.81 0.00 0.00 179.45 176.88 2piy s LEU 103 N -7.17 2.41 0.03 5.20 0.05 0.10 -4.17 118.68 115.12 2piy s LEU 103 Ca -0.19 -1.15 0.00 0.00 0.05 0.00 0.00 54.13 52.84 2piy s LEU 103 Cb 0.06 -0.50 -0.04 0.00 -2.05 0.00 0.00 46.19 43.66 2piy s LEU 103 CO 0.81 -0.37 0.12 -1.81 -0.55 0.00 0.00 176.35 174.55 2piy s ASP 104 N -3.35 5.85 -0.27 1.48 1.01 -0.51 -4.17 116.67 116.71 2piy s ASP 104 Ca 0.27 0.16 -0.09 0.00 0.71 0.00 0.00 52.55 53.59 2piy s ASP 104 Cb 0.03 -1.70 -0.04 0.00 1.01 0.00 0.00 42.92 42.23 2piy s ASP 104 CO 0.09 0.23 0.14 -0.36 0.21 0.00 0.00 175.17 175.47 2piy s PHE 105 N -1.32 3.16 -0.39 4.23 0.40 0.10 -0.95 117.98 123.21 2piy s PHE 105 Ca 0.27 -0.18 -0.22 0.00 -0.60 0.00 0.00 56.93 56.21 2piy s PHE 105 Cb -0.12 -2.32 0.01 0.00 0.51 0.00 0.00 43.02 41.10 2piy s PHE 105 CO 0.19 -0.28 0.70 0.71 0.70 0.00 0.00 175.22 177.24 2piy s TYR 106 N 1.68 3.09 -0.27 0.36 1.51 0.31 -0.26 117.35 123.78 2piy s TYR 106 Ca 0.07 0.28 -0.03 0.00 -1.01 0.00 0.00 57.07 56.37 2piy s TYR 106 Cb -0.16 -3.34 0.02 0.00 -0.11 0.00 0.00 41.96 38.37 2piy s TYR 106 CO 0.07 -0.77 -0.01 0.08 -1.11 0.00 0.00 175.55 173.82 2piy s VAL 107 N 2.93 3.25 -0.50 0.71 1.01 0.61 -0.36 120.40 128.05 2piy s VAL 107 Ca 0.27 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 2piy s VAL 107 Cb -0.14 -2.69 0.12 0.00 0.00 0.00 0.00 36.38 33.67 2piy s VAL 107 CO 0.18 0.12 0.43 -0.22 0.00 0.00 0.00 175.10 175.60 2piy s LEU 108 N 1.37 5.92 0.20 3.92 0.20 -0.33 -0.56 118.68 129.40 2piy s LEU 108 Ca 0.00 -1.76 -0.10 0.00 0.69 0.00 0.00 54.13 52.96 2piy s LEU 108 Cb -0.17 -2.13 0.13 0.00 -0.43 0.00 0.00 46.19 43.59 2piy s LEU 108 CO -0.02 -0.77 1.82 -0.65 -0.29 0.00 0.00 176.35 176.45 2piy h PRO 109 N 8.71 0.99 -2.84 0.98 0.11 -1.85 -1.67 132.00 136.43 2piy h PRO 109 Ca -0.27 -0.11 -0.32 0.00 0.11 0.00 0.00 66.00 65.42 2piy h PRO 109 Cb 1.09 -0.20 -0.36 0.00 0.11 0.00 0.00 31.00 31.64 2piy h PRO 109 CO 0.95 0.73 -0.64 0.08 -0.21 0.00 0.00 178.00 178.91 2piy s VAL 110 N -5.88 -0.28 -0.13 3.15 1.01 -1.25 -4.13 120.40 112.89 2piy s VAL 110 Ca -0.13 0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.74 2piy s VAL 110 Cb 0.14 -0.49 -0.19 0.00 0.00 0.00 0.00 36.38 35.84 2piy s VAL 110 CO 0.79 -0.05 0.57 0.25 0.00 0.00 0.00 175.10 176.67 2piy h LEU 111 N 8.34 -0.00 -6.66 3.92 5.85 -1.45 -3.40 115.31 121.91 2piy h LEU 111 Ca -0.15 -0.73 -0.76 0.00 0.84 0.00 0.00 57.88 57.08 2piy h LEU 111 Cb 1.13 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.99 2piy h LEU 111 CO 0.22 0.86 1.77 -3.20 -0.34 0.00 0.00 178.44 177.74 2piy n ASN 112 N -4.66 5.28 -0.23 1.25 5.15 -0.69 -4.78 115.26 116.58 2piy n ASN 112 Ca -0.07 -3.14 -0.08 0.00 -0.60 0.00 0.00 54.58 50.69 2piy n ASN 112 Cb 0.35 -1.46 0.03 0.00 -0.53 0.00 0.00 39.78 38.18 2piy n ASN 112 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2piy h ILE 113 N 3.79 1.26 -0.58 -1.44 2.04 -1.85 -1.84 117.51 118.89 2piy h ILE 113 Ca 0.36 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 2piy h ILE 113 Cb 0.66 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 2piy h ILE 113 CO 1.54 0.36 0.31 0.44 0.00 0.00 0.00 178.15 180.80 2piy h ASP 114 N 0.96 0.74 -0.33 1.72 3.32 -1.96 -0.91 116.42 119.96 2piy h ASP 114 Ca 0.20 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 57.01 2piy h ASP 114 Cb 0.38 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2piy h ASP 114 CO 0.01 0.63 -0.31 1.23 -1.72 0.00 0.00 179.24 179.07 2piy h GLY 115 N 0.79 0.93 1.00 2.75 0.00 -1.75 -2.18 103.07 104.60 2piy h GLY 115 Ca 0.20 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 46.66 2piy h GLY 115 CO -0.03 0.79 0.24 -1.82 0.00 0.00 0.00 176.54 175.73 2piy h TYR 116 N 0.72 0.48 -0.86 5.60 3.20 -0.93 -0.95 116.97 124.23 2piy h TYR 116 Ca 0.08 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.03 2piy h TYR 116 Cb 0.87 -0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.91 2piy h TYR 116 CO 0.05 0.32 0.52 0.82 -1.64 0.00 0.00 178.16 178.23 2piy h ILE 117 N 0.51 1.00 -0.27 1.81 2.04 -1.08 -1.93 117.51 119.58 2piy h ILE 117 Ca 0.14 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 2piy h ILE 117 Cb -0.04 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.02 2piy h ILE 117 CO -0.03 0.17 -0.04 0.22 0.00 0.00 0.00 178.15 178.47 2piy h TYR 118 N 0.92 0.44 0.00 1.37 3.20 -0.60 -0.91 116.97 121.39 2piy h TYR 118 Ca 0.39 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 2piy h TYR 118 Cb 0.25 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 2piy h TYR 118 CO -0.04 0.47 -0.05 1.79 -1.64 0.00 0.00 178.16 178.70 2piy h THR 119 N 0.41 0.11 0.08 1.81 1.35 -0.43 0.12 112.91 116.36 2piy h THR 119 Ca 0.09 -0.72 -0.31 0.00 -0.55 0.00 0.00 66.41 64.91 2piy h THR 119 Cb 0.34 1.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.39 2piy h THR 119 CO 0.01 0.05 -1.67 -0.50 -0.25 0.00 0.00 175.52 173.16 2piy h TRP 120 N 0.00 0.31 0.00 4.73 4.06 -1.03 -3.30 115.95 120.71 2piy h TRP 120 Ca -0.00 -0.22 -0.27 0.00 2.06 0.00 0.00 58.89 60.46 2piy h TRP 120 Cb 0.65 -0.01 -0.05 0.00 -1.00 0.00 0.00 29.16 28.74 2piy h TRP 120 CO 0.00 1.35 -1.98 0.25 -3.56 0.00 0.00 178.44 174.50 2piy n THR 121 N -3.34 1.25 0.00 1.49 -2.24 -0.43 -4.94 114.28 106.08 2piy n THR 121 Ca -0.19 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.82 2piy n THR 121 Cb 1.04 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 2piy n THR 121 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2piy n LYS 122 N -2.80 0.00 -3.93 -0.78 4.76 0.24 -5.08 118.16 110.58 2piy n LYS 122 Ca -0.21 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 54.89 2piy n LYS 122 Cb 1.00 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 34.06 2piy n LYS 122 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2piy s ASN 123 N -2.15 4.88 0.63 4.39 3.84 -0.26 -4.96 114.94 121.32 2piy s ASN 123 Ca 0.00 -1.76 0.38 0.00 0.21 0.00 0.00 52.86 51.69 2piy s ASN 123 Cb 0.00 -1.69 2.14 0.00 -0.55 0.00 0.00 41.25 41.15 2piy s ASN 123 CO 0.00 -0.36 2.31 -0.09 -2.79 0.00 0.00 177.10 176.17 2piy h ARG 124 N 7.86 0.00 -0.68 0.43 9.65 -1.80 -2.14 114.38 127.70 2piy h ARG 124 Ca -0.13 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 2piy h ARG 124 Cb 1.04 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 2piy h ARG 124 CO 0.56 0.00 0.00 -1.33 2.80 0.00 0.00 179.97 182.01 2piy n MET 125 N -3.40 3.50 -2.07 0.20 2.81 -1.26 -4.56 117.12 112.34 2piy n MET 125 Ca -0.03 -2.83 -0.39 0.00 -1.81 0.00 0.00 57.70 52.64 2piy n MET 125 Cb 0.09 -1.83 0.00 0.00 -0.71 0.00 0.00 33.22 30.77 2piy n MET 125 CO 0.00 0.00 0.00 -0.46 1.51 0.00 0.00 175.97 177.02 2piy s TRP 126 N -1.64 2.75 0.00 2.03 -0.11 -0.80 -4.85 118.94 116.31 2piy s TRP 126 Ca 0.51 1.45 0.00 0.00 1.22 0.00 0.00 56.10 59.28 2piy s TRP 126 Cb 0.31 -3.60 0.00 0.00 -1.50 0.00 0.00 33.47 28.68 2piy s TRP 126 CO 0.27 -2.04 0.00 -2.13 -4.62 0.00 0.00 176.95 168.43 2piy n ARG 127 N -0.26 0.00 -1.38 5.86 0.63 -1.26 -1.51 116.66 118.75 2piy n ARG 127 Ca 0.06 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.79 2piy n ARG 127 Cb 0.45 -0.63 0.14 0.00 0.45 0.00 0.00 32.46 32.88 2piy n ARG 127 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2piy n LYS 128 N -2.83 -0.86 -0.47 -0.14 5.02 -1.26 -2.53 118.16 115.09 2piy n LYS 128 Ca 0.00 -1.47 -0.14 0.00 -2.02 0.00 0.00 58.31 54.68 2piy n LYS 128 Cb 0.48 -0.94 0.12 0.00 -0.02 0.00 0.00 35.03 34.67 2piy n LYS 128 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2piy n THR 129 N -3.24 0.00 -1.26 -0.18 -2.24 -0.34 -4.46 114.28 102.55 2piy n THR 129 Ca 0.12 -0.22 0.09 0.00 -2.27 0.00 0.00 64.05 61.76 2piy n THR 129 Cb 0.41 -1.09 0.15 0.00 -2.10 0.00 0.00 70.33 67.70 2piy n THR 129 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2piy n ARG 130 N -3.05 1.29 -2.01 -0.78 5.12 -1.26 -4.12 116.66 111.85 2piy n ARG 130 Ca 0.07 -2.69 -0.31 0.00 -1.93 0.00 0.00 57.85 52.98 2piy n ARG 130 Cb 0.27 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 2piy n ARG 130 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2piy s SER 131 N -2.88 6.21 0.54 0.55 1.04 -1.26 -4.70 113.70 113.19 2piy s SER 131 Ca 0.32 1.52 -0.14 0.00 0.48 0.00 0.00 55.95 58.13 2piy s SER 131 Cb 0.29 -2.49 -0.07 0.00 0.10 0.00 0.00 66.02 63.86 2piy s SER 131 CO 0.00 -0.88 0.98 0.42 0.98 0.00 0.00 173.24 174.74 2piy s THR 132 N -2.93 4.61 -0.09 2.02 -4.23 -1.26 -0.88 115.64 112.88 2piy s THR 132 Ca 0.57 1.06 0.03 0.00 -1.18 0.00 0.00 61.69 62.17 2piy s THR 132 Cb -0.11 -3.77 0.01 0.00 1.34 0.00 0.00 72.50 69.96 2piy s THR 132 CO 0.46 -0.81 -0.19 0.20 -0.54 0.00 0.00 174.62 173.73 2piy s ASN 133 N -3.42 2.57 0.05 3.99 0.01 -1.26 -4.83 114.94 112.05 2piy s ASN 133 Ca 0.57 -0.46 -0.33 0.00 -0.71 0.00 0.00 52.86 51.94 2piy s ASN 133 Cb -0.10 -1.18 -0.12 0.00 0.41 0.00 0.00 41.25 40.26 2piy s ASN 133 CO 0.38 0.11 1.81 0.00 -1.51 0.00 0.00 177.10 177.89 2piy n ALA 134 N 3.64 1.48 -1.68 0.60 0.00 -1.26 -2.48 120.51 120.81 2piy n ALA 134 Ca -0.21 0.32 -0.06 0.00 0.00 0.00 0.00 53.44 53.50 2piy n ALA 134 Cb 0.52 -2.51 -0.01 0.00 0.00 0.00 0.00 19.45 17.45 2piy n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2piy n GLY 135 N 4.14 0.44 3.40 0.00 0.00 -1.26 -5.02 105.19 106.89 2piy n GLY 135 Ca 0.20 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 2piy n GLY 135 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2piy s THR 136 N -2.25 0.03 -0.70 2.61 -1.32 -1.04 -5.03 115.64 107.94 2piy s THR 136 Ca 0.00 -0.23 0.26 0.00 -1.21 0.00 0.00 61.69 60.50 2piy s THR 136 Cb 0.00 -0.97 0.28 0.00 -1.51 0.00 0.00 72.50 70.30 2piy s THR 136 CO 0.00 -0.13 1.73 0.71 -2.21 0.00 0.00 174.62 174.72 2piy h THR 137 N 2.79 0.00 -3.71 5.08 1.35 -1.96 -3.40 112.91 113.07 2piy h THR 137 Ca -0.31 -0.52 -0.52 0.00 -0.55 0.00 0.00 66.41 64.51 2piy h THR 137 Cb 1.21 1.49 0.04 0.00 -1.73 0.00 0.00 68.15 69.16 2piy h THR 137 CO 0.41 0.00 0.59 0.00 -0.25 0.00 0.00 175.52 176.27 2piy s ILE 139 N -0.76 4.08 0.00 0.00 -1.09 -1.26 -4.02 121.20 118.15 2piy s ILE 139 Ca 0.50 -0.33 0.00 0.00 -2.23 0.00 0.00 60.65 58.59 2piy s ILE 139 Cb -0.36 -2.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.81 2piy s ILE 139 CO 0.45 0.60 0.00 0.61 -1.23 0.00 0.00 174.94 175.36 2piy n GLY 140 N 2.27 1.48 3.35 6.18 0.00 -0.06 -4.92 105.19 113.49 2piy n GLY 140 Ca -0.18 -1.72 -0.27 0.00 0.00 0.00 0.00 46.02 43.85 2piy n GLY 140 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2piy s THR 141 N -2.47 2.04 -0.46 2.61 2.01 -1.26 -4.84 115.64 113.27 2piy s THR 141 Ca 0.00 -1.64 -0.29 0.00 0.31 0.00 0.00 61.69 60.07 2piy s THR 141 Cb 0.00 -1.82 0.03 0.00 0.01 0.00 0.00 72.50 70.72 2piy s THR 141 CO 0.00 0.06 1.13 -0.62 -0.69 0.00 0.00 174.62 174.49 2piy s ASP 142 N -1.93 6.66 0.54 3.53 -1.08 -0.19 -1.20 116.67 123.00 2piy s ASP 142 Ca 0.11 0.52 0.21 0.00 -0.52 0.00 0.00 52.55 52.87 2piy s ASP 142 Cb -0.10 -2.55 1.45 0.00 -1.46 0.00 0.00 42.92 40.26 2piy s ASP 142 CO 0.05 -1.21 2.18 1.55 0.52 0.00 0.00 175.17 178.26 2piy h PRO 143 N 9.10 0.00 -0.66 4.34 0.13 -1.87 -0.75 132.00 142.29 2piy h PRO 143 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2piy h PRO 143 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2piy h PRO 143 CO 1.12 0.01 0.00 -1.71 -0.23 0.00 0.00 178.00 177.19 2piy n ASN 144 N -4.28 3.01 -0.01 1.44 5.15 -1.26 -2.30 115.26 117.02 2piy n ASN 144 Ca -0.03 -2.33 0.00 0.00 -0.60 0.00 0.00 54.58 51.62 2piy n ASN 144 Cb 0.10 -0.49 0.00 0.00 -0.53 0.00 0.00 39.78 38.86 2piy n ASN 144 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2piy n ARG 145 N 0.42 2.36 -0.14 1.20 5.12 -0.30 -3.46 116.66 121.86 2piy n ARG 145 Ca 0.14 -1.34 0.07 0.00 -1.93 0.00 0.00 57.85 54.78 2piy n ARG 145 Cb 0.61 -0.92 0.14 0.00 -1.16 0.00 0.00 32.46 31.13 2piy n ARG 145 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2piy n ASN 146 N -0.43 2.78 -4.95 0.55 4.05 -0.97 -4.53 115.26 111.75 2piy n ASN 146 Ca 0.01 -1.84 -0.23 0.00 0.45 0.00 0.00 54.58 52.96 2piy n ASN 146 Cb 0.31 -0.18 -0.02 0.00 1.23 0.00 0.00 39.78 41.13 2piy n ASN 146 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 2piy s PHE 147 N -1.05 3.48 -1.44 1.20 0.40 -0.35 0.08 117.98 120.30 2piy s PHE 147 Ca 0.24 0.24 -0.11 0.00 -0.60 0.00 0.00 56.93 56.71 2piy s PHE 147 Cb 0.14 -1.80 0.05 0.00 0.51 0.00 0.00 43.02 41.91 2piy s PHE 147 CO 0.19 0.23 2.36 -3.47 0.70 0.00 0.00 175.22 175.24 2piy n ASP 148 N -1.58 6.00 -3.64 1.36 4.64 -1.26 -4.26 116.55 117.81 2piy n ASP 148 Ca -0.06 -2.87 -0.29 0.00 -1.38 0.00 0.00 54.79 50.18 2piy n ASP 148 Cb 0.56 -1.55 -0.15 0.00 -1.04 0.00 0.00 41.12 38.94 2piy n ASP 148 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2piy s ALA 149 N 1.69 1.14 -1.62 -1.67 0.00 -1.26 -4.79 121.76 115.25 2piy s ALA 149 Ca 0.52 -1.44 -0.15 0.00 0.00 0.00 0.00 51.96 50.89 2piy s ALA 149 Cb 0.15 -1.53 0.12 0.00 0.00 0.00 0.00 23.12 21.86 2piy s ALA 149 CO -0.06 -1.67 0.82 0.41 0.00 0.00 0.00 175.76 175.25 2piy n GLY 150 N 4.98 -0.44 3.66 0.00 0.00 -1.26 -0.98 105.19 111.15 2piy n GLY 150 Ca -0.03 0.15 -0.54 0.00 0.00 0.00 0.00 46.02 45.60 2piy n GLY 150 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2piy n TRP 151 N -4.48 1.91 -1.50 1.61 -0.00 -1.26 -1.82 117.44 111.91 2piy n TRP 151 Ca 0.03 0.49 -0.17 0.00 -0.00 0.00 0.00 57.50 57.85 2piy n TRP 151 Cb 0.52 -2.44 -0.07 0.00 -0.00 0.00 0.00 31.31 29.31 2piy n TRP 151 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2piy h THR 153 N 0.00 0.25 -2.06 0.00 1.35 -1.71 -3.45 112.91 107.29 2piy h THR 153 Ca -0.35 -1.42 -0.06 0.00 -0.55 0.00 0.00 66.41 64.03 2piy h THR 153 Cb 1.26 1.87 -0.20 0.00 -1.73 0.00 0.00 68.15 69.35 2piy h THR 153 CO 0.51 0.14 0.14 0.28 -0.25 0.00 0.00 175.52 176.34 2piy s THR 154 N -3.17 0.00 -1.31 6.82 -1.32 -1.26 -4.95 115.64 110.46 2piy s THR 154 Ca 0.01 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2piy s THR 154 Cb 0.08 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 70.10 2piy s THR 154 CO 0.76 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.78 2piy n GLY 155 N 1.76 0.91 3.02 6.08 0.00 -1.26 -0.81 105.19 114.89 2piy n GLY 155 Ca -0.17 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 2piy n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2piy s ALA 156 N -2.54 0.30 0.02 4.61 0.00 -1.26 -4.53 121.76 118.36 2piy s ALA 156 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2piy s ALA 156 Cb 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 2piy s ALA 156 CO 0.00 -0.15 0.10 0.45 0.00 0.00 0.00 175.76 176.16 2piy s SER 157 N -1.69 5.79 0.00 0.00 0.15 -0.76 -4.94 113.70 112.25 2piy s SER 157 Ca -0.11 0.15 0.23 0.00 0.70 0.00 0.00 55.95 56.92 2piy s SER 157 Cb -0.08 -1.67 0.61 0.00 -1.71 0.00 0.00 66.02 63.17 2piy s SER 157 CO -0.02 0.24 1.49 0.35 1.20 0.00 0.00 173.24 176.50 2piy n THR 158 N 0.93 0.22 -3.52 6.45 -2.24 -1.26 -1.23 114.28 113.62 2piy n THR 158 Ca -0.11 -0.47 -0.39 0.00 -2.27 0.00 0.00 64.05 60.81 2piy n THR 158 Cb 0.52 0.76 -0.10 0.00 -2.10 0.00 0.00 70.33 69.41 2piy n THR 158 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2piy s ASP 159 N -1.70 6.08 0.56 3.42 -1.08 -1.26 -4.95 116.67 117.74 2piy s ASP 159 Ca 0.34 -0.13 0.36 0.00 -0.52 0.00 0.00 52.55 52.60 2piy s ASP 159 Cb 0.20 -2.15 1.95 0.00 -1.46 0.00 0.00 42.92 41.46 2piy s ASP 159 CO 0.30 -0.16 2.09 1.55 0.52 0.00 0.00 175.17 179.47 2piy h PRO 160 N 8.40 0.00 -0.00 4.34 0.13 -1.92 -0.67 132.00 142.27 2piy h PRO 160 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2piy h PRO 160 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2piy h PRO 160 CO 0.61 0.00 -0.10 0.00 -0.23 0.00 0.00 178.00 178.28 2piy s ASP 162 N -2.54 6.42 0.52 0.00 1.01 -0.26 -4.99 116.67 116.83 2piy s ASP 162 Ca 0.27 0.53 0.33 0.00 0.71 0.00 0.00 52.55 54.40 2piy s ASP 162 Cb 0.20 -2.07 1.40 0.00 1.01 0.00 0.00 42.92 43.46 2piy s ASP 162 CO 0.48 -0.08 1.98 -0.33 0.21 0.00 0.00 175.17 177.43 2piy h GLU 163 N 2.00 0.00 -0.30 8.23 4.39 -1.89 -2.82 114.58 124.19 2piy h GLU 163 Ca -0.48 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.16 2piy h GLU 163 Cb 1.19 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.80 2piy h GLU 163 CO 0.68 0.00 -0.00 0.25 -1.16 0.00 0.00 179.01 178.78 2piy n THR 164 N -2.97 2.38 -1.65 1.13 -2.24 -1.26 -4.51 114.28 105.16 2piy n THR 164 Ca 0.01 -2.13 -0.48 0.00 -2.27 0.00 0.00 64.05 59.17 2piy n THR 164 Cb 0.28 -0.28 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 2piy n THR 164 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2piy n TYR 165 N -0.72 2.07 1.25 4.78 9.36 -1.07 -1.82 117.16 131.00 2piy n TYR 165 Ca 0.26 0.35 0.13 0.00 3.32 0.00 0.00 57.90 61.96 2piy n TYR 165 Cb 0.95 -2.50 0.47 0.00 -0.63 0.00 0.00 39.34 37.63 2piy n TYR 165 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2piy n GLY 167 N 1.36 0.08 0.12 0.00 0.00 -1.26 -4.33 105.19 101.16 2piy n GLY 167 Ca 0.11 -1.92 -0.01 0.00 0.00 0.00 0.00 46.02 44.21 2piy n GLY 167 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2piy h SER 168 N 0.00 0.00 -4.96 1.61 4.64 -1.96 -3.47 113.55 109.41 2piy h SER 168 Ca 0.00 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 2piy h SER 168 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.98 2piy h SER 168 CO 0.00 0.67 0.40 0.00 -0.87 0.00 0.00 176.83 177.04 2piy s ALA 169 N -3.18 -1.65 0.25 5.18 0.00 -1.26 -5.06 121.76 116.04 2piy s ALA 169 Ca 0.01 0.48 -0.31 0.00 0.00 0.00 0.00 51.96 52.14 2piy s ALA 169 Cb 0.10 0.63 -0.13 0.00 0.00 0.00 0.00 23.12 23.72 2piy s ALA 169 CO 0.76 -0.86 1.42 0.00 0.00 0.00 0.00 175.76 177.09 2piy n ALA 170 N -0.37 1.26 -1.90 0.00 0.00 -1.26 -1.74 120.51 116.51 2piy n ALA 170 Ca -0.09 0.41 -0.16 0.00 0.00 0.00 0.00 53.44 53.60 2piy n ALA 170 Cb 0.62 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.74 2piy n ALA 170 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2piy n GLU 171 N 1.98 -1.19 0.25 0.00 1.02 0.11 -4.88 120.64 117.94 2piy n GLU 171 Ca 0.11 0.91 0.13 0.00 -0.02 0.00 0.00 57.16 58.28 2piy n GLU 171 Cb 0.32 -5.19 0.66 0.00 -0.02 0.00 0.00 31.44 27.22 2piy n GLU 171 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2piy h SER 172 N 0.00 0.00 -3.40 1.62 4.64 -1.58 -3.39 113.55 111.44 2piy h SER 172 Ca -0.35 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.42 2piy h SER 172 Cb 1.16 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.21 2piy h SER 172 CO 0.46 0.14 0.10 -1.61 -0.87 0.00 0.00 176.83 175.05 2piy s GLU 173 N -3.98 4.43 0.35 4.77 0.41 -1.26 -4.97 118.70 118.45 2piy s GLU 173 Ca -0.02 0.98 0.07 0.00 -0.41 0.00 0.00 54.97 55.59 2piy s GLU 173 Cb 0.12 -3.31 0.74 0.00 -1.78 0.00 0.00 34.13 29.90 2piy s GLU 173 CO 0.59 0.44 1.90 0.87 -0.49 0.00 0.00 175.26 178.57 2piy h LYS 174 N 5.07 0.75 -0.32 1.61 1.57 -1.88 -0.82 116.57 122.56 2piy h LYS 174 Ca -0.46 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.15 2piy h LYS 174 Cb 1.21 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 2piy h LYS 174 CO 0.68 0.50 -0.30 0.93 -0.57 0.00 0.00 179.45 180.68 2piy h GLU 175 N 0.77 0.76 0.03 3.15 3.07 -1.93 -0.33 114.58 120.11 2piy h GLU 175 Ca 0.40 -0.40 -0.24 0.00 -0.50 0.00 0.00 59.36 58.63 2piy h GLU 175 Cb 0.50 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 2piy h GLU 175 CO -0.17 1.02 -1.01 1.79 -1.40 0.00 0.00 179.01 179.24 2piy h THR 176 N 0.53 1.42 -0.71 1.13 1.35 -1.84 -2.07 112.91 112.72 2piy h THR 176 Ca 0.05 -2.59 -0.01 0.00 -0.55 0.00 0.00 66.41 63.32 2piy h THR 176 Cb 0.88 2.54 -0.03 0.00 -1.73 0.00 0.00 68.15 69.81 2piy h THR 176 CO 0.08 0.77 0.41 0.50 -0.25 0.00 0.00 175.52 177.03 2piy h LYS 177 N 0.19 0.97 -0.51 4.72 3.64 -1.14 0.20 116.57 124.64 2piy h LYS 177 Ca -0.09 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2piy h LYS 177 Cb 1.67 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 33.26 2piy h LYS 177 CO 0.17 0.70 0.31 0.00 -2.27 0.00 0.00 179.45 178.36 2piy h ALA 178 N 1.21 0.65 -0.22 5.00 0.00 -0.92 0.27 119.26 125.25 2piy h ALA 178 Ca 0.25 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2piy h ALA 178 Cb -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2piy h ALA 178 CO -0.04 0.14 -0.09 1.25 0.00 0.00 0.00 179.25 180.51 2piy h LEU 179 N 0.68 0.45 -0.68 0.00 5.85 -1.15 -1.20 115.31 119.26 2piy h LEU 179 Ca 0.18 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 2piy h LEU 179 Cb -0.01 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 2piy h LEU 179 CO -0.03 0.74 0.28 0.00 -0.34 0.00 0.00 178.44 179.09 2piy h ALA 180 N 0.72 0.88 -0.48 1.25 0.00 -0.80 -1.27 119.26 119.56 2piy h ALA 180 Ca 0.05 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.81 2piy h ALA 180 Cb 0.57 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2piy h ALA 180 CO 0.03 0.50 0.28 -0.44 0.00 0.00 0.00 179.25 179.61 2piy h ASP 181 N 0.97 0.44 -0.42 0.00 3.32 -0.39 -0.51 116.42 119.81 2piy h ASP 181 Ca 0.23 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 2piy h ASP 181 Cb 0.19 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2piy h ASP 181 CO -0.02 0.31 0.13 0.15 -1.72 0.00 0.00 179.24 178.09 2piy h PHE 182 N 0.55 0.68 -0.35 4.55 3.57 -0.75 -1.11 116.94 124.08 2piy h PHE 182 Ca 0.20 -0.07 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 2piy h PHE 182 Cb 0.04 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 2piy h PHE 182 CO -0.08 0.62 -0.14 0.82 -2.23 0.00 0.00 178.31 177.31 2piy h ILE 183 N 0.54 1.28 -0.85 1.41 2.04 -1.07 -1.95 117.51 118.92 2piy h ILE 183 Ca 0.14 -1.24 0.06 0.00 1.00 0.00 0.00 64.86 64.81 2piy h ILE 183 Cb 0.26 1.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.63 2piy h ILE 183 CO -0.00 0.41 0.52 0.03 0.00 0.00 0.00 178.15 179.11 2piy h ARG 184 N 0.50 0.94 0.00 2.37 3.08 -0.99 -1.45 114.38 118.82 2piy h ARG 184 Ca 0.08 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2piy h ARG 184 Cb 0.67 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2piy h ARG 184 CO 0.05 0.62 0.00 0.09 -1.07 0.00 0.00 179.97 179.65 2piy n ASN 185 N -4.62 0.00 -0.78 7.04 3.02 -0.43 -3.49 115.26 116.01 2piy n ASN 185 Ca 0.12 -0.15 0.05 0.00 -0.03 0.00 0.00 54.58 54.57 2piy n ASN 185 Cb 0.17 -0.27 0.10 0.00 -0.61 0.00 0.00 39.78 39.16 2piy n ASN 185 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2piy n ASN 186 N -1.27 1.29 0.23 6.41 3.02 -0.64 -4.73 115.26 119.58 2piy n ASN 186 Ca 0.14 -2.81 0.16 0.00 -0.03 0.00 0.00 54.58 52.04 2piy n ASN 186 Cb 0.22 -0.38 0.79 0.00 -0.61 0.00 0.00 39.78 39.80 2piy n ASN 186 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2piy h LEU 187 N 0.64 0.00 -2.25 3.41 3.38 -1.34 -1.36 115.31 117.79 2piy h LEU 187 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2piy h LEU 187 Cb 1.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 2piy h LEU 187 CO 0.03 0.00 -0.05 0.28 0.09 0.00 0.00 178.44 178.79 2piy h SER 187 N 0.00 0.00 0.00 -0.43 0.02 -1.88 -3.33 113.55 107.93 2piy h SER 187 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2piy h SER 187 Cb 0.15 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2piy h SER 187 CO 0.00 0.05 -1.18 -1.54 -1.14 0.00 0.00 176.83 173.01 2piy n SER 188 N -3.44 3.50 -4.62 3.07 3.41 -0.59 -4.88 113.62 110.06 2piy n SER 188 Ca -0.02 -0.01 -0.43 0.00 -0.26 0.00 0.00 58.87 58.15 2piy n SER 188 Cb 0.17 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 2piy n SER 188 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2piy s ILE 189 N -2.06 3.91 -0.47 -1.33 1.01 -0.73 -0.39 121.20 121.13 2piy s ILE 189 Ca -0.04 1.00 0.12 0.00 0.00 0.00 0.00 60.65 61.73 2piy s ILE 189 Cb 0.01 -3.99 -0.14 0.00 0.01 0.00 0.00 42.46 38.36 2piy s ILE 189 CO 0.07 -0.46 0.46 0.29 0.00 0.00 0.00 174.94 175.30 2piy n LYS 190 N 7.64 2.72 -3.81 2.79 4.76 -0.12 -4.85 118.16 127.28 2piy n LYS 190 Ca 0.17 -0.02 -0.12 0.00 -2.87 0.00 0.00 58.31 55.47 2piy n LYS 190 Cb 0.46 -1.09 -0.09 0.00 -1.84 0.00 0.00 35.03 32.47 2piy n LYS 190 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2piy s ALA 191 N -2.22 -0.59 -0.10 7.82 0.00 -1.25 -3.99 121.76 121.44 2piy s ALA 191 Ca 0.03 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.17 2piy s ALA 191 Cb 0.09 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.28 2piy s ALA 191 CO 0.48 -0.23 -0.12 -0.47 0.00 0.00 0.00 175.76 175.43 2piy s TYR 192 N -1.25 1.63 -0.09 0.00 5.04 0.36 -1.20 117.35 121.84 2piy s TYR 192 Ca -0.13 -0.74 0.02 0.00 -2.44 0.00 0.00 57.07 53.78 2piy s TYR 192 Cb -0.06 -1.24 0.01 0.00 0.35 0.00 0.00 41.96 41.03 2piy s TYR 192 CO 0.03 -0.43 -0.14 -0.51 -1.34 0.00 0.00 175.55 173.16 2piy s LEU 193 N 1.13 1.67 -0.09 6.97 1.43 0.46 -0.93 118.68 129.30 2piy s LEU 193 Ca -0.05 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 2piy s LEU 193 Cb -0.14 -0.99 0.01 0.00 0.03 0.00 0.00 46.19 45.10 2piy s LEU 193 CO -0.02 0.02 -0.14 0.28 0.23 0.00 0.00 176.35 176.72 2piy s THR 194 N 0.89 1.35 -0.23 5.49 -1.32 -0.47 -1.34 115.64 120.00 2piy s THR 194 Ca -0.09 -0.57 -0.08 0.00 -1.21 0.00 0.00 61.69 59.73 2piy s THR 194 Cb -0.15 -1.24 -0.04 0.00 -1.51 0.00 0.00 72.50 69.56 2piy s THR 194 CO 0.01 0.41 0.10 -0.63 -2.21 0.00 0.00 174.62 172.29 2piy s ILE 195 N 0.88 4.76 0.39 5.08 -1.09 -0.21 -1.31 121.20 129.71 2piy s ILE 195 Ca -0.10 -0.03 0.04 0.00 -2.23 0.00 0.00 60.65 58.33 2piy s ILE 195 Cb -0.15 -3.21 -0.03 0.00 -1.58 0.00 0.00 42.46 37.49 2piy s ILE 195 CO 0.01 0.37 0.12 -1.00 -1.23 0.00 0.00 174.94 173.20 2piy s HIS 196 N 1.15 1.80 0.19 3.97 3.76 0.90 -3.97 115.29 123.09 2piy s HIS 196 Ca 0.05 -1.25 -0.11 0.00 -0.15 0.00 0.00 55.06 53.61 2piy s HIS 196 Cb -0.14 -1.16 -0.00 0.00 1.11 0.00 0.00 32.58 32.38 2piy s HIS 196 CO 0.04 -0.27 0.36 -1.54 -0.85 0.00 0.00 174.74 172.49 2piy s SER 197 N -3.58 -0.04 0.55 1.40 1.04 -1.26 -1.10 113.70 110.71 2piy s SER 197 Ca 0.26 -0.84 0.04 0.00 0.48 0.00 0.00 55.95 55.89 2piy s SER 197 Cb 0.03 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.68 2piy s SER 197 CO 0.15 -0.97 0.34 -0.72 0.98 0.00 0.00 173.24 173.02 2piy s TYR 198 N -3.97 1.54 0.00 5.02 1.13 -1.26 -4.88 117.35 114.92 2piy s TYR 198 Ca 0.18 -0.90 0.00 0.00 -1.41 0.00 0.00 57.07 54.93 2piy s TYR 198 Cb 0.02 -1.84 0.00 0.00 -1.10 0.00 0.00 41.96 39.04 2piy s TYR 198 CO 0.02 -0.41 0.00 0.43 -2.51 0.00 0.00 175.55 173.08 2piy n SER 199 N -1.72 0.00 -3.11 -0.18 7.64 -0.32 -4.79 113.62 111.14 2piy n SER 199 Ca -0.06 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.78 2piy n SER 199 Cb 0.65 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.87 2piy n SER 199 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2piy n GLN 200 N 0.00 -1.58 -4.03 1.43 6.02 -0.52 -4.81 117.38 113.89 2piy n GLN 200 Ca 0.00 1.32 -0.10 0.00 -0.01 0.00 0.00 57.00 58.22 2piy n GLN 200 Cb 0.00 -5.78 -0.11 0.00 1.02 0.00 0.00 30.24 25.37 2piy n GLN 200 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2piy s MET 201 N -3.39 0.46 -0.21 -1.09 -1.94 -0.52 -1.78 119.30 110.82 2piy s MET 201 Ca 0.13 -0.81 -0.03 0.00 -1.71 0.00 0.00 55.69 53.27 2piy s MET 201 Cb -0.02 0.00 -0.00 0.00 2.01 0.00 0.00 34.83 36.83 2piy s MET 201 CO 0.75 -0.03 -0.07 0.42 -0.01 0.00 0.00 175.02 176.07 2piy s ILE 202 N -2.04 3.11 0.03 2.53 1.01 -0.53 -0.56 121.20 124.74 2piy s ILE 202 Ca -0.08 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.01 2piy s ILE 202 Cb -0.06 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 2piy s ILE 202 CO -0.03 0.44 -0.06 -0.76 0.00 0.00 0.00 174.94 174.53 2piy s LEU 203 N 1.44 3.20 0.30 2.97 1.43 0.50 -2.39 118.68 126.14 2piy s LEU 203 Ca 0.05 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 2piy s LEU 203 Cb -0.14 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 2piy s LEU 203 CO -0.05 0.25 0.11 -0.72 0.23 0.00 0.00 176.35 176.17 2piy s TYR 204 N -1.07 1.68 0.82 0.29 -0.85 -0.89 -0.92 117.35 116.41 2piy s TYR 204 Ca 0.19 -1.19 -0.13 0.00 -0.52 0.00 0.00 57.07 55.43 2piy s TYR 204 Cb -0.11 -1.01 0.09 0.00 0.38 0.00 0.00 41.96 41.31 2piy s TYR 204 CO 0.10 -0.29 1.19 -2.14 -1.52 0.00 0.00 175.55 172.88 2piy s PRO 205 N -3.91 1.58 0.19 -3.49 0.02 -1.26 -0.68 135.00 127.45 2piy s PRO 205 Ca 0.35 1.68 0.07 0.00 0.02 0.00 0.00 61.00 63.12 2piy s PRO 205 Cb 0.07 -1.78 -0.04 0.00 0.02 0.00 0.00 34.50 32.77 2piy s PRO 205 CO 0.15 -2.24 0.05 0.71 -0.33 0.00 0.00 177.00 175.35 2piy s TYR 206 N -2.28 2.94 -0.02 6.54 2.02 -1.26 -4.38 117.35 120.91 2piy s TYR 206 Ca 0.71 -0.11 0.10 0.00 -0.37 0.00 0.00 57.07 57.41 2piy s TYR 206 Cb -0.27 -1.40 -0.16 0.00 -0.40 0.00 0.00 41.96 39.73 2piy s TYR 206 CO 0.52 0.53 0.22 0.43 -1.57 0.00 0.00 175.55 175.68 2piy n SER 207 N -0.34 2.61 -0.10 2.29 7.64 -1.26 -1.60 113.62 122.86 2piy n SER 207 Ca -0.09 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.93 2piy n SER 207 Cb 0.56 1.46 0.47 0.00 -1.01 0.00 0.00 64.21 65.69 2piy n SER 207 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2piy n TYR 208 N -1.88 0.00 -3.45 1.43 0.18 -1.26 -0.74 117.16 111.44 2piy n TYR 208 Ca -0.02 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.63 2piy n TYR 208 Cb 0.29 -0.23 -0.03 0.00 -0.38 0.00 0.00 39.34 38.99 2piy n TYR 208 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2piy s ASP 209 N -2.69 -0.56 0.00 9.48 -1.08 -1.26 -4.77 116.67 115.79 2piy s ASP 209 Ca 0.21 0.09 0.28 0.00 -0.52 0.00 0.00 52.55 52.61 2piy s ASP 209 Cb 0.19 0.58 1.24 0.00 -1.46 0.00 0.00 42.92 43.47 2piy s ASP 209 CO 0.55 -0.91 1.92 -1.22 0.52 0.00 0.00 175.17 176.03 2piy n TYR 210 N -0.17 0.00 -1.09 -5.34 4.02 -1.26 -4.50 117.16 108.81 2piy n TYR 210 Ca -0.17 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.38 2piy n TYR 210 Cb 0.64 -0.48 0.13 0.00 -0.02 0.00 0.00 39.34 39.61 2piy n TYR 210 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 2piy n LYS 211 N -1.48 0.16 -4.08 -0.72 2.85 -1.26 -4.94 118.16 108.68 2piy n LYS 211 Ca 0.07 0.13 -0.31 0.00 -1.05 0.00 0.00 58.31 57.16 2piy n LYS 211 Cb 0.32 -2.44 -0.07 0.00 -0.65 0.00 0.00 35.03 32.20 2piy n LYS 211 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2piy s LEU 212 N -5.69 3.70 0.66 -5.58 1.43 -1.26 -3.98 118.68 107.95 2piy s LEU 212 Ca 0.73 -0.05 -0.15 0.00 -1.03 0.00 0.00 54.13 53.63 2piy s LEU 212 Cb -0.29 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.55 2piy s LEU 212 CO 0.51 0.18 1.12 -2.16 0.23 0.00 0.00 176.35 176.23 2piy s PRO 213 N -2.31 2.76 0.25 1.29 0.04 -1.26 -4.94 135.00 130.83 2piy s PRO 213 Ca 0.28 1.45 -0.03 0.00 0.04 0.00 0.00 61.00 62.74 2piy s PRO 213 Cb -0.12 -1.94 0.49 0.00 0.04 0.00 0.00 34.50 32.97 2piy s PRO 213 CO 0.20 -1.29 1.73 0.93 0.04 0.00 0.00 177.00 178.62 2piy h GLU 214 N 0.08 0.46 -0.97 4.56 4.39 -1.99 -2.10 114.58 119.01 2piy h GLU 214 Ca -0.47 -0.03 -0.65 0.00 0.34 0.00 0.00 59.36 58.55 2piy h GLU 214 Cb 1.25 -0.10 -0.30 0.00 -0.10 0.00 0.00 28.75 29.50 2piy h GLU 214 CO 0.54 0.31 0.70 0.27 -1.16 0.00 0.00 179.01 179.67 2piy n ASN 215 N -4.98 7.16 -0.20 1.42 2.04 -1.26 -4.70 115.26 114.74 2piy n ASN 215 Ca 0.15 -3.77 0.01 0.00 -0.44 0.00 0.00 54.58 50.52 2piy n ASN 215 Cb 0.43 -0.91 0.25 0.00 -2.53 0.00 0.00 39.78 37.02 2piy n ASN 215 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 2piy h ASN 216 N 1.94 0.84 -0.67 0.53 7.08 -1.75 -1.05 115.58 122.50 2piy h ASN 216 Ca 0.59 -0.03 -0.02 0.00 -3.08 0.00 0.00 56.30 53.76 2piy h ASN 216 Cb 1.02 -0.21 -0.03 0.00 -2.08 0.00 0.00 38.32 37.02 2piy h ASN 216 CO 1.48 0.62 0.34 0.00 -2.08 0.00 0.00 177.43 177.79 2piy h ALA 217 N 1.54 0.86 -0.40 4.14 0.00 -1.86 0.04 119.26 123.57 2piy h ALA 217 Ca 0.27 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2piy h ALA 217 Cb -0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 2piy h ALA 217 CO -0.06 0.41 -0.01 1.49 0.00 0.00 0.00 179.25 181.08 2piy h GLU 218 N 0.93 0.72 -0.61 0.00 4.81 -1.71 -2.05 114.58 116.66 2piy h GLU 218 Ca 0.23 -0.23 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 2piy h GLU 218 Cb 0.09 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2piy h GLU 218 CO -0.03 0.81 0.03 -0.07 -0.73 0.00 0.00 179.01 179.02 2piy h LEU 219 N 0.54 1.01 -0.35 1.64 3.38 -1.00 -1.88 115.31 118.66 2piy h LEU 219 Ca 0.11 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2piy h LEU 219 Cb 0.49 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2piy h LEU 219 CO 0.02 1.04 0.03 -1.13 0.09 0.00 0.00 178.44 178.50 2piy h ASN 220 N 0.96 0.58 0.10 -0.43 -0.73 -0.86 -0.84 115.58 114.36 2piy h ASN 220 Ca 0.18 -0.28 -0.09 0.00 1.87 0.00 0.00 56.30 57.98 2piy h ASN 220 Cb 0.51 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.93 2piy h ASN 220 CO 0.02 0.71 -0.29 0.78 -0.37 0.00 0.00 177.43 178.29 2piy h ASN 221 N 0.42 0.31 -0.17 1.15 2.35 -1.30 0.26 115.58 118.61 2piy h ASN 221 Ca 0.10 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 2piy h ASN 221 Cb 0.40 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 2piy h ASN 221 CO 0.01 0.60 -0.14 0.25 -1.65 0.00 0.00 177.43 176.50 2piy h LEU 222 N 0.27 0.43 -0.96 1.61 5.85 -1.12 -2.01 115.31 119.37 2piy h LEU 222 Ca 0.04 -0.46 -0.03 0.00 0.84 0.00 0.00 57.88 58.26 2piy h LEU 222 Cb 0.66 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 2piy h LEU 222 CO 0.05 0.80 0.32 0.00 -0.34 0.00 0.00 178.44 179.27 2piy h ALA 223 N 0.64 1.18 -0.33 1.25 0.00 -0.99 -0.67 119.26 120.34 2piy h ALA 223 Ca 0.03 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.82 2piy h ALA 223 Cb 0.66 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2piy h ALA 223 CO 0.04 0.60 0.10 -0.22 0.00 0.00 0.00 179.25 179.77 2piy h LYS 224 N 1.05 0.23 -0.07 0.00 3.64 -0.84 -1.20 116.57 119.39 2piy h LYS 224 Ca 0.25 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.45 2piy h LYS 224 Cb 0.15 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2piy h LYS 224 CO -0.03 0.15 -0.67 0.00 -2.27 0.00 0.00 179.45 176.64 2piy h ALA 225 N 1.22 0.73 -0.60 5.00 0.00 -1.02 -2.80 119.26 121.80 2piy h ALA 225 Ca 0.15 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 2piy h ALA 225 Cb 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2piy h ALA 225 CO -0.17 0.76 0.03 0.00 0.00 0.00 0.00 179.25 179.87 2piy h ALA 226 N 1.09 0.80 0.00 0.00 0.00 -0.78 -1.66 119.26 118.71 2piy h ALA 226 Ca -0.02 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 2piy h ALA 226 Cb 1.21 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2piy h ALA 226 CO 0.11 0.62 -0.61 -0.39 0.00 0.00 0.00 179.25 178.97 2piy h VAL 227 N 0.93 1.43 -0.38 0.00 -1.51 -1.19 -1.33 116.25 114.20 2piy h VAL 227 Ca 0.17 -2.10 -0.04 0.00 -1.23 0.00 0.00 66.70 63.51 2piy h VAL 227 Cb 0.52 2.13 -0.02 0.00 -2.13 0.00 0.00 31.29 31.80 2piy h VAL 227 CO 0.02 0.60 0.10 0.50 -1.23 0.00 0.00 177.57 177.56 2piy h LYS 228 N 0.00 0.61 -0.58 5.19 3.64 -1.30 -2.26 116.57 121.88 2piy h LYS 228 Ca -0.01 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 2piy h LYS 228 Cb 1.08 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 2piy h LYS 228 CO 0.08 0.64 0.30 1.49 -2.27 0.00 0.00 179.45 179.69 2piy h GLU 229 N 0.47 0.82 -0.94 1.90 4.57 -1.05 -2.78 114.58 117.57 2piy h GLU 229 Ca 0.12 -0.10 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 2piy h GLU 229 Cb 0.30 -0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 28.69 2piy h GLU 229 CO 0.00 0.64 0.62 1.25 -1.18 0.00 0.00 179.01 180.34 2piy h LEU 230 N 0.78 1.07 -0.87 1.64 6.46 -1.10 -2.53 115.31 120.76 2piy h LEU 230 Ca 0.20 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 2piy h LEU 230 Cb 0.07 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 39.73 2piy h LEU 230 CO -0.03 0.77 0.00 0.00 -0.62 0.00 0.00 178.44 178.56 2piy h ALA 231 N 1.42 1.00 0.00 1.25 0.00 -1.12 -3.23 119.26 118.58 2piy h ALA 231 Ca 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 2piy h ALA 231 Cb -0.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2piy h ALA 231 CO -0.08 0.00 -0.10 1.79 0.00 0.00 0.00 179.25 180.87 2piy h THR 232 N 0.00 0.38 0.00 0.00 1.35 -1.41 -0.07 112.91 113.16 2piy h THR 232 Ca 0.00 -0.54 -0.05 0.00 -0.55 0.00 0.00 66.41 65.27 2piy h THR 232 Cb 0.44 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 2piy h THR 232 CO 0.00 0.09 -0.35 -0.07 -0.25 0.00 0.00 175.52 174.94 2piy h LEU 233 N 0.00 0.00 -0.57 3.87 3.38 -1.76 -3.43 115.31 116.80 2piy h LEU 233 Ca -0.00 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2piy h LEU 233 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2piy h LEU 233 CO 0.01 0.99 0.00 -1.22 0.09 0.00 0.00 178.44 178.31 2piy n TYR 234 N -4.60 0.00 -0.78 1.13 4.01 -1.23 -5.01 117.16 110.67 2piy n TYR 234 Ca -0.13 -0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 2piy n TYR 234 Cb 0.41 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 2piy n TYR 234 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2piy n GLY 235 N -0.00 0.60 3.71 2.72 0.00 -0.04 -5.01 105.19 107.17 2piy n GLY 235 Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2piy n GLY 235 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2piy s THR 236 N -2.00 2.98 -0.30 2.61 2.01 -1.26 -4.96 115.64 114.72 2piy s THR 236 Ca 0.00 0.64 -0.13 0.00 0.31 0.00 0.00 61.69 62.51 2piy s THR 236 Cb 0.00 -3.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 2piy s THR 236 CO 0.00 0.04 0.27 -0.54 -0.69 0.00 0.00 174.62 173.70 2piy s LYS 237 N 1.52 3.81 0.01 4.92 -0.14 -1.26 -4.13 119.74 124.47 2piy s LYS 237 Ca 0.69 -0.32 0.01 0.00 -1.36 0.00 0.00 55.97 54.99 2piy s LYS 237 Cb -0.40 -3.71 -0.04 0.00 -1.68 0.00 0.00 37.83 32.00 2piy s LYS 237 CO 0.31 -0.31 0.06 0.71 -0.76 0.00 0.00 175.35 175.35 2piy s TYR 238 N 1.87 3.20 0.44 3.18 1.51 -1.26 -4.88 117.35 121.41 2piy s TYR 238 Ca 0.09 0.14 0.08 0.00 -1.01 0.00 0.00 57.07 56.37 2piy s TYR 238 Cb -0.16 -1.69 0.01 0.00 -0.11 0.00 0.00 41.96 40.01 2piy s TYR 238 CO 0.11 0.52 0.52 0.95 -1.11 0.00 0.00 175.55 176.54 2piy s THR 239 N -1.20 2.70 0.13 -0.71 -4.23 -0.73 -4.98 115.64 106.62 2piy s THR 239 Ca 0.23 -1.15 -0.24 0.00 -1.18 0.00 0.00 61.69 59.35 2piy s THR 239 Cb -0.12 -2.85 0.07 0.00 1.34 0.00 0.00 72.50 70.94 2piy s THR 239 CO 0.14 0.00 0.62 -0.72 -0.54 0.00 0.00 174.62 174.13 2piy s TYR 240 N -2.46 -0.54 -5.00 3.99 1.13 -1.26 -1.46 117.35 111.76 2piy s TYR 240 Ca 0.52 0.39 0.00 0.00 -1.41 0.00 0.00 57.07 56.57 2piy s TYR 240 Cb -0.07 0.55 0.00 0.00 -1.10 0.00 0.00 41.96 41.34 2piy s TYR 240 CO 0.31 -0.81 0.00 0.41 -2.51 0.00 0.00 175.55 172.95 2piy n GLY 241 N -0.26 -0.98 3.77 5.49 0.00 -1.00 -4.99 105.19 107.22 2piy n GLY 241 Ca -0.17 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 2piy n GLY 241 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2piy s PRO 242 N -1.84 4.16 0.18 1.61 0.02 -1.26 -2.10 135.00 135.77 2piy s PRO 242 Ca 0.00 2.50 -0.13 0.00 0.02 0.00 0.00 61.00 63.39 2piy s PRO 242 Cb 0.00 -3.00 0.15 0.00 0.02 0.00 0.00 34.50 31.67 2piy s PRO 242 CO 0.00 -0.48 1.76 0.78 -0.33 0.00 0.00 177.00 178.73 2piy h GLY 243 N 3.39 0.65 1.01 0.52 0.00 -0.85 -1.16 103.07 106.63 2piy h GLY 243 Ca -0.50 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.72 2piy h GLY 243 CO 0.67 0.03 0.52 0.00 0.00 0.00 0.00 176.54 177.77 2piy h ALA 244 N 1.31 1.03 0.00 3.60 0.00 -1.47 -1.98 119.26 121.75 2piy h ALA 244 Ca 0.23 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 2piy h ALA 244 Cb 0.21 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2piy h ALA 244 CO -0.21 0.46 -1.38 0.25 0.00 0.00 0.00 179.25 178.37 2piy n THR 245 N -4.50 0.86 0.06 0.00 -2.24 -1.15 -3.33 114.28 103.98 2piy n THR 245 Ca 0.08 -0.63 -0.05 0.00 -2.27 0.00 0.00 64.05 61.18 2piy n THR 245 Cb 0.03 -0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 67.66 2piy n THR 245 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2piy h THR 246 N 0.00 1.47 0.00 4.28 2.02 -0.96 -3.44 112.91 116.27 2piy h THR 246 Ca -0.10 -3.13 0.00 0.00 0.77 0.00 0.00 66.41 63.94 2piy h THR 246 Cb 1.34 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 70.47 2piy h THR 246 CO 0.02 0.84 0.00 0.00 0.37 0.00 0.00 175.52 176.75 2piy n ILE 247 N -3.29 0.09 -3.56 3.11 0.13 -0.76 -5.04 119.36 110.04 2piy n ILE 247 Ca -0.02 0.03 -0.06 0.00 -1.10 0.00 0.00 62.75 61.61 2piy n ILE 247 Cb 0.92 -0.48 -0.02 0.00 -0.84 0.00 0.00 39.64 39.22 2piy n ILE 247 CO 0.00 0.00 0.00 -0.72 2.80 0.00 0.00 176.55 178.63 2piy s TYR 248 N -1.21 -0.21 0.33 9.51 -0.85 -1.18 -5.04 117.35 118.71 2piy s TYR 248 Ca 0.00 0.13 -0.29 0.00 -0.52 0.00 0.00 57.07 56.39 2piy s TYR 248 Cb 0.00 0.52 -0.11 0.00 0.38 0.00 0.00 41.96 42.76 2piy s TYR 248 CO 0.00 -0.33 1.43 -2.14 -1.52 0.00 0.00 175.55 172.99 2piy s PRO 249 N -2.69 4.22 -0.37 -3.49 0.02 -1.21 -4.23 135.00 127.26 2piy s PRO 249 Ca 0.08 2.41 0.07 0.00 0.02 0.00 0.00 61.00 63.57 2piy s PRO 249 Cb -0.01 -3.03 0.18 0.00 0.02 0.00 0.00 34.50 31.66 2piy s PRO 249 CO -0.06 -0.41 0.58 0.00 -0.33 0.00 0.00 177.00 176.77 2piy s ALA 250 N -0.81 -2.11 0.67 -1.55 0.00 0.08 -4.22 121.76 113.83 2piy s ALA 250 Ca 0.54 0.32 -0.12 0.00 0.00 0.00 0.00 51.96 52.70 2piy s ALA 250 Cb -0.44 -2.57 -0.00 0.00 0.00 0.00 0.00 23.12 20.11 2piy s ALA 250 CO 0.55 -2.08 1.06 0.00 0.00 0.00 0.00 175.76 175.29 2piy s ALA 251 N 2.11 2.68 0.00 0.00 0.00 0.01 -3.99 121.76 122.57 2piy s ALA 251 Ca 0.14 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2piy s ALA 251 Cb -0.07 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2piy s ALA 251 CO -0.13 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 174.89 2piy n GLY 252 N -1.71 0.43 3.83 0.00 0.00 -0.16 -4.39 105.19 103.20 2piy n GLY 252 Ca 0.08 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 2piy n GLY 252 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2piy s GLY 253 N -2.93 2.39 0.31 -0.02 0.00 -1.22 -1.21 107.32 104.64 2piy s GLY 253 Ca 0.00 0.19 0.12 0.00 0.00 0.00 0.00 44.72 45.03 2piy s GLY 253 CO 0.00 0.44 1.70 1.48 0.00 0.00 0.00 173.10 176.72 2piy h SER 254 N 2.24 0.00 -0.34 1.64 4.64 -1.87 -2.26 113.55 117.60 2piy h SER 254 Ca -0.48 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.69 2piy h SER 254 Cb 1.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2piy h SER 254 CO 0.64 0.51 -0.36 -2.24 -0.87 0.00 0.00 176.83 174.51 2piy h ASP 255 N 0.00 0.91 -0.57 4.97 2.03 -1.93 -0.14 116.42 121.69 2piy h ASP 255 Ca -0.01 -0.48 -0.05 0.00 -0.73 0.00 0.00 57.03 55.76 2piy h ASP 255 Cb 0.93 -0.26 -0.02 0.00 -0.83 0.00 0.00 39.33 39.15 2piy h ASP 255 CO 0.07 1.20 0.14 0.44 -1.03 0.00 0.00 179.24 180.06 2piy h ASP 256 N 0.64 0.86 -0.37 4.15 3.32 -1.94 -1.66 116.42 121.43 2piy h ASP 256 Ca 0.05 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 2piy h ASP 256 Cb 0.95 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 2piy h ASP 256 CO 0.09 0.87 0.10 -0.25 -1.72 0.00 0.00 179.24 178.32 2piy h TRP 257 N 0.82 0.61 -0.79 4.55 7.01 -1.27 -1.54 115.95 125.33 2piy h TRP 257 Ca 0.18 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 2piy h TRP 257 Cb 0.34 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 27.19 2piy h TRP 257 CO 0.02 0.60 0.44 0.00 -2.79 0.00 0.00 178.44 176.71 2piy h ALA 258 N 0.94 1.28 -0.60 2.65 0.00 -0.95 -2.45 119.26 120.13 2piy h ALA 258 Ca 0.12 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2piy h ALA 258 Cb 0.29 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2piy h ALA 258 CO -0.00 0.59 0.20 -0.92 0.00 0.00 0.00 179.25 179.12 2piy h TYR 259 N 1.11 0.95 0.00 0.00 3.20 -0.89 -2.02 116.97 119.32 2piy h TYR 259 Ca 0.28 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2piy h TYR 259 Cb 0.02 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.01 2piy h TYR 259 CO 0.01 0.78 0.00 -0.25 -1.64 0.00 0.00 178.16 177.06 2piy n ASP 260 N -4.42 0.00 -0.45 -2.11 10.43 -0.62 -1.01 116.55 118.38 2piy n ASP 260 Ca 0.03 -0.65 0.14 0.00 2.57 0.00 0.00 54.79 56.88 2piy n ASP 260 Cb 0.20 -0.07 0.48 0.00 1.84 0.00 0.00 41.12 43.57 2piy n ASP 260 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2piy n GLN 261 N -1.07 1.52 0.00 -1.24 1.13 -0.78 -4.93 117.38 112.02 2piy n GLN 261 Ca 0.18 -0.90 0.00 0.00 -1.94 0.00 0.00 57.00 54.34 2piy n GLN 261 Cb 0.12 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 28.98 2piy n GLN 261 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2piy n GLY 262 N 1.21 0.70 3.53 1.08 0.00 -0.18 -5.04 105.19 106.51 2piy n GLY 262 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2piy n GLY 262 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2piy s ILE 263 N -2.00 3.89 0.09 -0.61 1.01 -1.08 -4.88 121.20 117.62 2piy s ILE 263 Ca 0.00 0.32 0.27 0.00 0.00 0.00 0.00 60.65 61.24 2piy s ILE 263 Cb 0.00 -4.84 0.29 0.00 0.01 0.00 0.00 42.46 37.92 2piy s ILE 263 CO 0.00 -1.70 1.86 0.11 0.00 0.00 0.00 174.94 175.21 2piy h LYS 264 N 9.86 0.00 -4.52 2.79 1.57 -1.84 -3.36 116.57 121.07 2piy h LYS 264 Ca -0.28 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 57.81 2piy h LYS 264 Cb 1.06 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 33.02 2piy h LYS 264 CO 1.24 0.14 -0.57 0.71 -0.57 0.00 0.00 179.45 180.41 2piy s TYR 265 N -3.63 3.57 -0.07 -1.35 2.02 -1.26 -5.00 117.35 111.63 2piy s TYR 265 Ca 0.01 -2.38 -0.01 0.00 -0.37 0.00 0.00 57.07 54.32 2piy s TYR 265 Cb 0.09 -3.11 0.03 0.00 -0.40 0.00 0.00 41.96 38.57 2piy s TYR 265 CO 0.61 -0.95 0.00 0.45 -1.57 0.00 0.00 175.55 174.09 2piy s SER 266 N 1.74 1.48 -0.00 2.29 0.15 -1.26 -0.49 113.70 117.61 2piy s SER 266 Ca 0.07 -0.07 0.02 0.00 0.70 0.00 0.00 55.95 56.67 2piy s SER 266 Cb -0.22 -0.41 -0.01 0.00 -1.71 0.00 0.00 66.02 63.67 2piy s SER 266 CO -0.04 -0.19 -0.06 -0.36 1.20 0.00 0.00 173.24 173.80 2piy s PHE 267 N 1.90 0.52 -0.20 3.44 0.08 -0.11 -4.32 117.98 119.29 2piy s PHE 267 Ca 0.04 -0.12 -0.08 0.00 0.12 0.00 0.00 56.93 56.89 2piy s PHE 267 Cb -0.12 -0.33 -0.04 0.00 -0.57 0.00 0.00 43.02 41.96 2piy s PHE 267 CO -0.05 -0.01 0.07 0.99 -0.10 0.00 0.00 175.22 176.12 2piy s THR 268 N -0.20 4.73 -0.17 0.64 2.01 -0.09 -1.37 115.64 121.19 2piy s THR 268 Ca 0.02 -0.05 -0.10 0.00 0.31 0.00 0.00 61.69 61.87 2piy s THR 268 Cb -0.03 -3.15 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 2piy s THR 268 CO -0.00 0.42 0.16 -0.36 -0.69 0.00 0.00 174.62 174.15 2piy s PHE 269 N 0.70 3.47 -0.30 4.92 0.40 -0.43 -0.37 117.98 126.37 2piy s PHE 269 Ca 0.04 0.43 -0.06 0.00 -0.60 0.00 0.00 56.93 56.74 2piy s PHE 269 Cb -0.13 -2.14 0.02 0.00 0.51 0.00 0.00 43.02 41.28 2piy s PHE 269 CO 0.02 0.40 0.06 -1.21 0.70 0.00 0.00 175.22 175.19 2piy s GLU 270 N 0.01 2.89 0.00 0.44 0.41 0.27 -0.07 118.70 122.65 2piy s GLU 270 Ca 0.11 -0.99 0.00 0.00 -0.41 0.00 0.00 54.97 53.68 2piy s GLU 270 Cb -0.12 -3.34 0.00 0.00 -1.78 0.00 0.00 34.13 28.90 2piy s GLU 270 CO 0.01 -0.51 0.00 1.28 -0.49 0.00 0.00 175.26 175.54 2piy n LEU 271 N 4.81 0.00 -4.68 1.80 4.77 -0.26 -1.43 117.00 122.00 2piy n LEU 271 Ca -0.14 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.52 2piy n LEU 271 Cb 0.47 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.70 2piy n LEU 271 CO 0.31 -0.44 0.73 -0.13 -1.33 0.00 0.00 177.39 176.53 2piy s ARG 272 N -2.43 1.32 0.00 3.23 0.52 -1.26 -1.65 118.95 118.67 2piy s ARG 272 Ca 0.00 1.68 0.00 0.00 -0.52 0.00 0.00 55.73 56.89 2piy s ARG 272 Cb 0.00 -1.75 0.00 0.00 0.52 0.00 0.00 34.95 33.72 2piy s ARG 272 CO 0.00 -2.44 0.00 -0.40 0.02 0.00 0.00 175.30 172.48 2piy n ASP 273 N -3.74 0.00 -0.54 0.23 3.85 -1.26 -4.61 116.55 110.49 2piy n ASP 273 Ca 0.13 0.00 0.05 0.00 -0.71 0.00 0.00 54.79 54.26 2piy n ASP 273 Cb 0.51 0.00 0.14 0.00 -1.35 0.00 0.00 41.12 40.43 2piy n ASP 273 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2piy n LYS 274 N 0.00 2.82 0.00 0.11 5.02 -1.26 -1.17 118.16 123.68 2piy n LYS 274 Ca 0.00 -2.13 0.00 0.00 -2.02 0.00 0.00 58.31 54.16 2piy n LYS 274 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 2piy n LYS 274 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2piy n GLY 275 N 0.02 1.32 0.04 0.72 0.00 -1.26 -4.95 105.19 101.09 2piy n GLY 275 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 2piy n GLY 275 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2piy h ARG 276 N 0.00 -0.01 0.00 1.61 2.43 -2.02 -3.28 114.38 113.11 2piy h ARG 276 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2piy h ARG 276 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2piy h ARG 276 CO 0.00 0.01 -1.69 0.66 -1.51 0.00 0.00 179.97 177.44 2piy n TYR 277 N -5.09 0.00 0.00 2.20 4.02 -1.26 -5.07 117.16 111.96 2piy n TYR 277 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 2piy n TYR 277 Cb 0.04 -0.37 0.00 0.00 -0.02 0.00 0.00 39.34 38.99 2piy n TYR 277 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2piy n GLY 278 N 1.73 3.45 0.25 2.72 0.00 -1.24 -1.85 105.19 110.25 2piy n GLY 278 Ca -0.05 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.00 2piy n GLY 278 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2piy h PHE 279 N 0.00 0.00 -1.78 1.61 0.04 -1.93 -3.31 116.94 111.57 2piy h PHE 279 Ca 0.00 0.00 -0.77 0.00 2.80 0.00 0.00 57.97 60.00 2piy h PHE 279 Cb 0.00 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 37.94 2piy h PHE 279 CO 0.00 0.11 1.52 -0.89 -0.60 0.00 0.00 178.31 178.45 2piy n ILE 280 N -3.26 5.54 -2.12 -0.55 2.08 -0.77 -4.38 119.36 115.90 2piy n ILE 280 Ca 0.00 -5.16 -0.42 0.00 0.56 0.00 0.00 62.75 57.74 2piy n ILE 280 Cb 0.37 -1.73 -0.03 0.00 -0.75 0.00 0.00 39.64 37.50 2piy n ILE 280 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2piy s LEU 281 N -3.43 4.36 0.57 1.39 2.96 -1.24 -4.84 118.68 118.45 2piy s LEU 281 Ca 0.46 2.33 -0.20 0.00 -0.22 0.00 0.00 54.13 56.49 2piy s LEU 281 Cb 0.21 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 2piy s LEU 281 CO -0.14 -0.72 1.31 -2.16 -1.32 0.00 0.00 176.35 173.32 2piy s PRO 282 N 1.65 3.00 0.55 0.98 0.04 -1.26 -4.87 135.00 135.08 2piy s PRO 282 Ca 0.66 2.12 0.23 0.00 0.04 0.00 0.00 61.00 64.05 2piy s PRO 282 Cb -0.37 -2.12 1.52 0.00 0.04 0.00 0.00 34.50 33.58 2piy s PRO 282 CO 0.30 -1.27 2.19 0.93 0.04 0.00 0.00 177.00 179.19 2piy h GLU 283 N 1.18 0.00 0.00 4.56 5.08 -1.92 -0.99 114.58 122.49 2piy h GLU 283 Ca -0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2piy h GLU 283 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2piy h GLU 283 CO 0.56 0.02 0.00 -1.13 -1.00 0.00 0.00 179.01 177.46 2piy n SER 284 N -4.17 0.00 -0.66 1.42 3.41 -1.26 -1.69 113.62 110.68 2piy n SER 284 Ca -0.03 0.41 0.11 0.00 -0.26 0.00 0.00 58.87 59.10 2piy n SER 284 Cb 0.10 -0.45 0.04 0.00 -0.26 0.00 0.00 64.21 63.64 2piy n SER 284 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2piy n GLN 285 N -1.45 1.67 0.04 4.33 6.02 -0.38 -4.64 117.38 122.98 2piy n GLN 285 Ca 0.04 -1.35 -0.12 0.00 -0.01 0.00 0.00 57.00 55.56 2piy n GLN 285 Cb 0.14 -1.42 -0.07 0.00 1.02 0.00 0.00 30.24 29.90 2piy n GLN 285 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2piy h ILE 286 N 3.21 1.04 0.13 5.09 2.04 -1.40 -1.94 117.51 125.68 2piy h ILE 286 Ca 0.00 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.72 2piy h ILE 286 Cb 0.80 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 2piy h ILE 286 CO 0.00 0.04 -0.14 -0.61 0.00 0.00 0.00 178.15 177.44 2piy h GLN 287 N -0.08 -0.29 -0.71 2.37 4.15 -1.82 -0.34 115.11 118.39 2piy h GLN 287 Ca -0.00 0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.37 2piy h GLN 287 Cb 0.07 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 2piy h GLN 287 CO 0.00 -0.19 0.19 0.00 -1.93 0.00 0.00 178.83 176.90 2piy h ALA 288 N 0.54 0.99 -0.20 3.38 0.00 -1.86 0.60 119.26 122.70 2piy h ALA 288 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2piy h ALA 288 Cb 0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2piy h ALA 288 CO -0.05 0.66 0.13 1.15 0.00 0.00 0.00 179.25 181.15 2piy h THR 289 N 1.07 1.06 -0.45 0.00 2.02 -1.11 -1.97 112.91 113.53 2piy h THR 289 Ca 0.23 -0.13 -0.13 0.00 0.77 0.00 0.00 66.41 67.15 2piy h THR 289 Cb 0.35 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 2piy h THR 289 CO -0.00 0.06 -0.22 0.00 0.37 0.00 0.00 175.52 175.73 2piy h GLU 291 N 0.80 0.54 -0.21 0.00 5.08 -0.73 -0.78 114.58 119.28 2piy h GLU 291 Ca 0.11 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 2piy h GLU 291 Cb 0.77 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2piy h GLU 291 CO 0.06 0.46 -0.50 1.05 -1.00 0.00 0.00 179.01 179.09 2piy h GLU 292 N 0.48 0.56 -0.74 2.33 4.11 -1.33 -2.91 114.58 117.08 2piy h GLU 292 Ca 0.13 -0.33 -0.05 0.00 0.07 0.00 0.00 59.36 59.18 2piy h GLU 292 Cb 0.09 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 2piy h GLU 292 CO -0.02 0.93 0.25 1.15 0.07 0.00 0.00 179.01 181.39 2piy h THR 293 N 0.44 1.26 -1.00 -1.06 2.02 -1.20 -2.55 112.91 110.82 2piy h THR 293 Ca 0.02 -0.86 0.18 0.00 0.77 0.00 0.00 66.41 66.52 2piy h THR 293 Cb 1.03 0.42 -0.10 0.00 -1.74 0.00 0.00 68.15 67.76 2piy h THR 293 CO 0.09 0.34 0.62 0.24 0.37 0.00 0.00 175.52 177.18 2piy h MET 294 N 1.08 0.75 -0.60 6.66 2.86 -0.94 -1.20 114.93 123.54 2piy h MET 294 Ca 0.24 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.76 2piy h MET 294 Cb 0.27 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 2piy h MET 294 CO -0.01 0.50 0.08 -0.07 1.06 0.00 0.00 176.91 178.47 2piy h LEU 295 N 0.77 0.94 -0.29 1.22 3.38 -1.43 -0.02 115.31 119.89 2piy h LEU 295 Ca 0.56 -0.22 -0.15 0.00 0.09 0.00 0.00 57.88 58.16 2piy h LEU 295 Cb 0.86 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 2piy h LEU 295 CO -0.34 0.95 -0.41 0.00 0.09 0.00 0.00 178.44 178.73 2piy h ALA 296 N 1.16 0.44 -0.54 1.53 0.00 -1.28 -1.94 119.26 118.63 2piy h ALA 296 Ca 0.18 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2piy h ALA 296 Cb 0.43 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2piy h ALA 296 CO 0.01 0.55 0.18 0.82 0.00 0.00 0.00 179.25 180.81 2piy h ILE 297 N 0.54 1.23 -0.15 0.00 1.08 -1.05 -1.76 117.51 117.40 2piy h ILE 297 Ca 0.03 -0.77 -0.10 0.00 -0.39 0.00 0.00 64.86 63.63 2piy h ILE 297 Cb 1.00 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 35.46 2piy h ILE 297 CO 0.10 0.29 -0.35 0.11 -0.69 0.00 0.00 178.15 177.60 2piy h LYS 298 N 0.74 0.32 -0.36 2.37 1.57 -1.00 -0.59 116.57 119.63 2piy h LYS 298 Ca 0.17 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2piy h LYS 298 Cb 0.26 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2piy h LYS 298 CO -0.01 0.63 0.05 -0.92 -0.57 0.00 0.00 179.45 178.64 2piy h TYR 299 N 0.28 0.64 -0.70 -1.35 3.20 -1.10 -1.52 116.97 116.42 2piy h TYR 299 Ca 0.03 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 2piy h TYR 299 Cb 0.75 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 2piy h TYR 299 CO 0.02 0.66 0.28 0.28 -1.64 0.00 0.00 178.16 177.76 2piy h VAL 300 N 0.44 1.25 -0.51 1.81 2.07 -1.11 -2.66 116.25 117.53 2piy h VAL 300 Ca 0.11 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 2piy h VAL 300 Cb 0.37 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2piy h VAL 300 CO 0.01 0.31 0.27 0.74 0.02 0.00 0.00 177.57 178.92 2piy h THR 301 N 1.00 1.18 -0.80 2.57 2.02 -0.90 -0.83 112.91 117.15 2piy h THR 301 Ca 0.23 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 2piy h THR 301 Cb 0.21 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 2piy h THR 301 CO -0.02 0.20 0.43 -1.13 0.37 0.00 0.00 175.52 175.37 2piy h ASN 302 N 0.69 1.00 0.02 4.18 -1.24 -1.17 0.30 115.58 119.36 2piy h ASN 302 Ca 0.18 -0.09 -0.00 0.00 0.71 0.00 0.00 56.30 57.10 2piy h ASN 302 Cb 0.08 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 38.87 2piy h ASN 302 CO -0.03 0.81 -0.01 0.22 -1.29 0.00 0.00 177.43 177.13 2piy h TYR 303 N 1.12 -0.03 -0.72 0.67 3.20 -1.10 -2.98 116.97 117.13 2piy h TYR 303 Ca 0.28 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.21 2piy h TYR 303 Cb 0.03 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 2piy h TYR 303 CO 0.01 0.25 0.47 0.28 -1.64 0.00 0.00 178.16 177.53 2piy h VAL 304 N -0.30 1.04 -0.39 1.81 2.07 -0.84 -1.21 116.25 118.42 2piy h VAL 304 Ca -0.00 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.32 2piy h VAL 304 Cb 0.29 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2piy h VAL 304 CO 0.01 0.14 0.27 0.25 0.02 0.00 0.00 177.57 178.26 2piy h LEU 305 N 0.77 0.20 -2.63 2.57 5.85 -0.79 -0.72 115.31 120.57 2piy h LEU 305 Ca 0.30 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.02 2piy h LEU 305 Cb 0.21 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.20 2piy h LEU 305 CO -0.10 0.13 0.00 0.61 -0.34 0.00 0.00 178.44 178.74 2piy n GLY 306 N -1.55 2.28 2.74 3.75 0.00 -0.48 -4.38 105.19 107.54 2piy n GLY 306 Ca 0.05 -0.79 -0.04 0.00 0.00 0.00 0.00 46.02 45.24 2piy n GLY 306 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2piy n HIS 307 N 1.63 1.39 1.45 1.61 8.25 -0.29 -5.10 115.22 124.17 2piy n HIS 307 Ca 0.23 -2.29 0.12 0.00 -0.26 0.00 0.00 57.72 55.52 2piy n HIS 307 Cb 0.62 -0.26 0.69 0.00 1.12 0.00 0.00 29.99 32.16 2piy n HIS 307 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26