#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gpw s ARG 2 N 0.00 2.98 -0.21 2.12 0.52 -1.26 -0.85 118.95 122.25 1gpw s ARG 2 Ca 0.00 -1.13 -0.07 0.00 -0.52 0.00 0.00 55.73 54.01 1gpw s ARG 2 Cb 0.00 -4.04 -0.04 0.00 0.52 0.00 0.00 34.95 31.39 1gpw s ARG 2 CO 0.00 -0.87 0.07 0.42 0.02 0.00 0.00 175.30 174.94 1gpw s ILE 3 N 1.71 4.62 0.01 1.52 1.01 0.34 -0.86 121.20 129.55 1gpw s ILE 3 Ca 0.05 -0.08 0.05 0.00 0.00 0.00 0.00 60.65 60.67 1gpw s ILE 3 Cb -0.21 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 1gpw s ILE 3 CO 0.09 0.40 -0.12 -0.83 0.00 0.00 0.00 174.94 174.48 1gpw s GLY 4 N 0.90 1.65 -0.18 6.18 0.00 0.11 -0.75 107.32 115.23 1gpw s GLY 4 Ca 0.04 -1.09 -0.02 0.00 0.00 0.00 0.00 44.72 43.65 1gpw s GLY 4 CO 0.03 -0.96 0.02 -0.42 0.00 0.00 0.00 173.10 171.76 1gpw s ILE 5 N -0.94 0.63 0.11 0.90 1.01 0.35 -0.47 121.20 122.79 1gpw s ILE 5 Ca 0.15 -0.51 -0.31 0.00 0.00 0.00 0.00 60.65 59.99 1gpw s ILE 5 Cb -0.11 -1.04 -0.10 0.00 0.01 0.00 0.00 42.46 41.23 1gpw s ILE 5 CO 0.06 -0.10 1.86 -0.63 0.00 0.00 0.00 174.94 176.13 1gpw s ILE 6 N 1.82 2.61 -0.58 2.92 1.01 -0.47 0.74 121.20 129.25 1gpw s ILE 6 Ca -0.00 0.03 0.08 0.00 0.00 0.00 0.00 60.65 60.76 1gpw s ILE 6 Cb -0.16 -3.02 0.22 0.00 0.01 0.00 0.00 42.46 39.51 1gpw s ILE 6 CO -0.07 -0.00 1.18 -1.54 0.00 0.00 0.00 174.94 174.51 1gpw n SER 7 N 6.03 2.67 -0.06 3.58 3.41 -0.71 -4.50 113.62 124.03 1gpw n SER 7 Ca 0.18 -2.07 -0.03 0.00 -0.26 0.00 0.00 58.87 56.69 1gpw n SER 7 Cb 0.39 -0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 64.14 1gpw n SER 7 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1gpw h VAL 8 N 1.34 0.07 -1.32 -3.33 -1.51 -1.91 -3.48 116.25 106.11 1gpw h VAL 8 Ca 0.00 -1.06 -0.38 0.00 -1.23 0.00 0.00 66.70 64.02 1gpw h VAL 8 Cb 0.70 0.14 0.13 0.00 -2.13 0.00 0.00 31.29 30.13 1gpw h VAL 8 CO 0.01 0.02 -0.92 0.61 -1.23 0.00 0.00 177.57 176.06 1gpw n GLY 9 N 1.70 -2.45 3.60 5.19 0.00 -1.26 -4.90 105.19 107.07 1gpw n GLY 9 Ca -0.04 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1gpw n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gpw n PRO 10 N 1.22 -0.96 0.00 1.61 -0.04 -1.26 -4.87 135.00 130.69 1gpw n PRO 10 Ca 0.03 -0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1gpw n PRO 10 Cb 0.33 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 1gpw n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gpw n GLY 11 N 0.54 -1.91 3.68 0.55 0.00 -1.01 -1.04 105.19 106.01 1gpw n GLY 11 Ca 0.09 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1gpw n GLY 11 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1gpw s ASN 12 N -4.42 6.64 0.00 1.61 3.84 -1.26 -4.75 114.94 116.60 1gpw s ASN 12 Ca 0.00 2.41 0.02 0.00 0.21 0.00 0.00 52.86 55.51 1gpw s ASN 12 Cb 0.00 -2.56 -0.03 0.00 -0.55 0.00 0.00 41.25 38.12 1gpw s ASN 12 CO 0.00 -0.88 0.10 2.30 -2.79 0.00 0.00 177.10 175.84 1gpw n ILE 13 N 4.84 0.00 0.04 -5.21 -6.64 -1.26 -4.67 119.36 106.46 1gpw n ILE 13 Ca 0.16 -0.44 -0.03 0.00 -1.77 0.00 0.00 62.75 60.66 1gpw n ILE 13 Cb 0.41 1.00 0.22 0.00 -1.44 0.00 0.00 39.64 39.83 1gpw n ILE 13 CO 0.00 0.00 0.00 0.24 -1.77 0.00 0.00 176.55 175.02 1gpw h MET 14 N 0.00 0.40 -0.03 6.28 2.86 -1.98 -2.48 114.93 119.99 1gpw h MET 14 Ca 0.00 -0.16 0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1gpw h MET 14 Cb 0.06 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1gpw h MET 14 CO 0.00 0.66 -0.08 -0.91 1.06 0.00 0.00 176.91 177.64 1gpw h ASN 15 N 0.35 -0.23 -0.70 1.22 2.35 -1.99 0.31 115.58 116.89 1gpw h ASN 15 Ca 0.05 0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.88 1gpw h ASN 15 Cb 0.70 0.10 -0.05 0.00 0.05 0.00 0.00 38.32 39.13 1gpw h ASN 15 CO 0.05 -0.11 0.42 0.25 -1.65 0.00 0.00 177.43 176.39 1gpw h LEU 16 N -0.12 0.67 -0.03 1.61 6.46 -1.85 0.92 115.31 122.97 1gpw h LEU 16 Ca 0.04 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.85 1gpw h LEU 16 Cb 0.18 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 39.92 1gpw h LEU 16 CO -0.10 0.45 -0.34 0.22 -0.62 0.00 0.00 178.44 178.05 1gpw h TYR 17 N 0.81 -0.94 -0.79 1.25 3.20 -0.80 0.93 116.97 120.62 1gpw h TYR 17 Ca 0.30 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.20 1gpw h TYR 17 Cb 0.09 0.42 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 1gpw h TYR 17 CO -0.05 -0.43 0.49 0.00 -1.64 0.00 0.00 178.16 176.53 1gpw h ARG 18 N -0.47 1.07 -0.26 1.82 3.08 0.33 -1.43 114.38 118.51 1gpw h ARG 18 Ca 0.07 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 1gpw h ARG 18 Cb 0.58 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1gpw h ARG 18 CO -0.30 0.74 -0.20 0.78 -1.07 0.00 0.00 179.97 179.92 1gpw h GLY 19 N 1.11 0.51 1.64 0.04 0.00 -0.06 -1.14 103.07 105.18 1gpw h GLY 19 Ca 0.29 -0.39 -0.18 0.00 0.00 0.00 0.00 47.33 47.05 1gpw h GLY 19 CO -0.06 0.36 -0.71 -2.08 0.00 0.00 0.00 176.54 174.05 1gpw h VAL 20 N 0.43 1.39 -0.53 4.60 2.07 -0.35 -0.48 116.25 123.38 1gpw h VAL 20 Ca 0.07 -2.15 -0.11 0.00 0.82 0.00 0.00 66.70 65.33 1gpw h VAL 20 Cb 0.60 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1gpw h VAL 20 CO 0.04 0.64 -0.11 0.50 0.02 0.00 0.00 177.57 178.66 1gpw h LYS 21 N 0.24 1.00 -0.40 1.57 3.64 -0.94 -1.59 116.57 120.08 1gpw h LYS 21 Ca -0.03 -0.36 -0.06 0.00 -1.27 0.00 0.00 60.65 58.93 1gpw h LYS 21 Cb 1.28 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1gpw h LYS 21 CO 0.12 1.04 0.01 0.00 -2.27 0.00 0.00 179.45 178.35 1gpw h ARG 22 N 0.89 0.71 -0.65 1.90 3.08 -1.05 -2.87 114.38 116.39 1gpw h ARG 22 Ca 0.14 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1gpw h ARG 22 Cb 0.67 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 1gpw h ARG 22 CO 0.05 0.79 0.33 0.00 -1.07 0.00 0.00 179.97 180.07 1gpw h ALA 23 N 0.89 1.36 0.00 0.04 0.00 -0.89 -2.59 119.26 118.07 1gpw h ALA 23 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gpw h ALA 23 Cb 0.47 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1gpw h ALA 23 CO 0.02 0.51 0.00 -1.13 0.00 0.00 0.00 179.25 178.65 1gpw n SER 24 N -4.36 0.58 -0.22 0.00 3.41 -0.62 -4.36 113.62 108.05 1gpw n SER 24 Ca 0.06 0.56 -0.05 0.00 -0.26 0.00 0.00 58.87 59.18 1gpw n SER 24 Cb 0.12 -0.72 -0.04 0.00 -0.26 0.00 0.00 64.21 63.31 1gpw n SER 24 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1gpw n GLU 25 N -2.06 -0.22 0.00 4.33 1.02 -0.98 0.57 120.64 123.31 1gpw n GLU 25 Ca 0.06 0.82 0.06 0.00 -0.02 0.00 0.00 57.16 58.08 1gpw n GLU 25 Cb 0.38 -1.20 0.37 0.00 -0.02 0.00 0.00 31.44 30.97 1gpw n GLU 25 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1gpw n ASN 26 N -4.70 0.00 -4.91 1.62 3.02 -1.26 -4.84 115.26 104.19 1gpw n ASN 26 Ca 0.02 -1.30 -0.32 0.00 -0.03 0.00 0.00 54.58 52.95 1gpw n ASN 26 Cb 0.15 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.28 1gpw n ASN 26 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1gpw s PHE 27 N -2.00 3.52 0.08 3.10 0.40 0.19 -5.09 117.98 118.19 1gpw s PHE 27 Ca 0.19 0.35 -0.23 0.00 -0.60 0.00 0.00 56.93 56.63 1gpw s PHE 27 Cb 0.09 -1.83 -0.06 0.00 0.51 0.00 0.00 43.02 41.72 1gpw s PHE 27 CO 0.15 0.58 0.71 -1.21 0.70 0.00 0.00 175.22 176.14 1gpw s GLU 28 N -2.36 4.44 -1.41 0.44 0.41 -1.26 -4.16 118.70 114.80 1gpw s GLU 28 Ca 0.34 0.99 -0.10 0.00 -0.41 0.00 0.00 54.97 55.79 1gpw s GLU 28 Cb -0.13 -3.31 0.03 0.00 -1.78 0.00 0.00 34.13 28.94 1gpw s GLU 28 CO 0.25 0.45 1.09 -0.25 -0.49 0.00 0.00 175.26 176.31 1gpw n ASP 29 N 2.21 -6.02 -4.78 -0.19 8.00 -1.26 -4.69 116.55 109.82 1gpw n ASP 29 Ca -0.05 -0.57 -0.39 0.00 0.71 0.00 0.00 54.79 54.49 1gpw n ASP 29 Cb 0.50 -4.76 -0.06 0.00 -0.02 0.00 0.00 41.12 36.78 1gpw n ASP 29 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1gpw s VAL 30 N -3.30 4.70 -0.02 2.53 0.11 -1.26 -2.82 120.40 120.35 1gpw s VAL 30 Ca 0.58 1.38 0.01 0.00 -2.93 0.00 0.00 61.98 61.02 1gpw s VAL 30 Cb -0.27 -3.98 0.01 0.00 -1.53 0.00 0.00 36.38 30.61 1gpw s VAL 30 CO 0.72 0.49 -0.04 -0.55 -3.33 0.00 0.00 175.10 172.38 1gpw s SER 31 N -0.75 0.73 -0.10 3.54 0.15 -0.03 -5.02 113.70 112.22 1gpw s SER 31 Ca 0.32 -0.10 -0.00 0.00 0.70 0.00 0.00 55.95 56.87 1gpw s SER 31 Cb -0.20 -0.24 0.02 0.00 -1.71 0.00 0.00 66.02 63.89 1gpw s SER 31 CO 0.21 -0.00 -0.07 -0.63 1.20 0.00 0.00 173.24 173.95 1gpw s ILE 32 N 0.45 0.91 0.05 6.45 1.01 -1.25 0.13 121.20 128.95 1gpw s ILE 32 Ca -0.05 -0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.43 1gpw s ILE 32 Cb -0.09 -0.95 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 1gpw s ILE 32 CO -0.00 0.34 -0.19 -1.61 0.00 0.00 0.00 174.94 173.48 1gpw s GLU 33 N 1.63 1.25 -0.10 2.79 2.02 0.07 -5.00 118.70 121.36 1gpw s GLU 33 Ca 0.03 -0.93 -0.24 0.00 0.02 0.00 0.00 54.97 53.85 1gpw s GLU 33 Cb -0.13 -1.36 -0.03 0.00 0.10 0.00 0.00 34.13 32.71 1gpw s GLU 33 CO -0.06 0.34 0.73 -0.51 0.02 0.00 0.00 175.26 175.78 1gpw s LEU 34 N -1.28 4.27 -0.37 1.80 1.43 -1.26 -0.49 118.68 122.79 1gpw s LEU 34 Ca 0.06 1.17 -0.17 0.00 -1.03 0.00 0.00 54.13 54.16 1gpw s LEU 34 Cb -0.09 -3.11 0.00 0.00 0.03 0.00 0.00 46.19 43.02 1gpw s LEU 34 CO 0.02 -0.19 0.44 -0.69 0.23 0.00 0.00 176.35 176.16 1gpw s VAL 35 N 1.18 5.08 -0.04 -1.59 1.01 0.23 -4.86 120.40 121.41 1gpw s VAL 35 Ca 0.37 0.05 0.15 0.00 0.00 0.00 0.00 61.98 62.55 1gpw s VAL 35 Cb -0.17 -3.94 -0.22 0.00 0.00 0.00 0.00 36.38 32.05 1gpw s VAL 35 CO 0.17 -0.23 0.33 1.21 0.00 0.00 0.00 175.10 176.57 1gpw n GLU 36 N 5.59 0.51 -3.55 2.72 2.13 -1.26 -1.74 120.64 125.04 1gpw n GLU 36 Ca -0.07 -0.13 -0.06 0.00 0.66 0.00 0.00 57.16 57.56 1gpw n GLU 36 Cb 0.49 -1.34 0.02 0.00 0.27 0.00 0.00 31.44 30.88 1gpw n GLU 36 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1gpw n SER 37 N -1.98 -1.90 -4.68 4.31 3.41 -1.26 -4.94 113.62 106.58 1gpw n SER 37 Ca -0.02 -2.22 -0.42 0.00 -0.26 0.00 0.00 58.87 55.94 1gpw n SER 37 Cb 0.37 3.15 -0.03 0.00 -0.26 0.00 0.00 64.21 67.44 1gpw n SER 37 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 1gpw s PRO 38 N -2.07 4.20 -0.61 4.33 0.02 -1.26 -4.90 135.00 134.71 1gpw s PRO 38 Ca 0.17 2.25 0.01 0.00 0.02 0.00 0.00 61.00 63.44 1gpw s PRO 38 Cb -0.04 -3.74 0.42 0.00 0.02 0.00 0.00 34.50 31.16 1gpw s PRO 38 CO 0.09 -0.76 1.73 0.54 -0.33 0.00 0.00 177.00 178.28 1gpw n ARG 39 N 6.13 3.00 0.00 5.54 1.74 -1.26 -4.96 116.66 126.85 1gpw n ARG 39 Ca 0.16 -3.71 0.00 0.00 -0.77 0.00 0.00 57.85 53.53 1gpw n ARG 39 Cb 0.42 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.58 1gpw n ARG 39 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1gpw n ASN 40 N -0.71 0.00 -4.25 0.55 0.23 -1.26 -4.43 115.26 105.39 1gpw n ASN 40 Ca 0.53 0.00 -0.37 0.00 -0.53 0.00 0.00 54.58 54.21 1gpw n ASN 40 Cb 0.60 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.17 1gpw n ASN 40 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 1gpw s ASP 41 N 0.00 5.25 0.81 0.53 1.01 -1.26 -5.09 116.67 117.92 1gpw s ASP 41 Ca 0.00 -1.18 -0.14 0.00 0.71 0.00 0.00 52.55 51.94 1gpw s ASP 41 Cb 0.00 -1.84 0.05 0.00 1.01 0.00 0.00 42.92 42.13 1gpw s ASP 41 CO 0.00 -0.32 0.91 0.18 0.21 0.00 0.00 175.17 176.15 1gpw n LEU 42 N 4.78 2.77 -4.94 1.23 4.77 -1.26 -5.03 117.00 119.31 1gpw n LEU 42 Ca -0.12 0.54 -0.22 0.00 -0.03 0.00 0.00 56.01 56.18 1gpw n LEU 42 Cb 0.44 -1.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.12 1gpw n LEU 42 CO 0.31 -2.37 -0.07 -0.31 -1.33 0.00 0.00 177.39 173.62 1gpw s TYR 43 N -2.12 3.41 0.04 -1.77 1.51 -1.26 -5.01 117.35 112.15 1gpw s TYR 43 Ca 0.69 0.00 -0.15 0.00 -1.01 0.00 0.00 57.07 56.59 1gpw s TYR 43 Cb -0.29 -1.57 -0.34 0.00 -0.11 0.00 0.00 41.96 39.65 1gpw s TYR 43 CO 0.55 0.47 1.03 -0.44 -1.11 0.00 0.00 175.55 176.06 1gpw h ASP 44 N 1.47 0.86 -3.31 2.29 3.32 -1.25 -3.43 116.42 116.37 1gpw h ASP 44 Ca -0.51 -0.88 -0.62 0.00 0.02 0.00 0.00 57.03 55.04 1gpw h ASP 44 Cb 1.22 -0.28 -0.36 0.00 0.22 0.00 0.00 39.33 40.13 1gpw h ASP 44 CO 0.63 1.69 -0.82 -0.22 -1.72 0.00 0.00 179.24 178.79 1gpw s LEU 45 N -7.68 2.11 -0.16 1.55 0.20 -0.95 -1.40 118.68 112.35 1gpw s LEU 45 Ca -0.09 -0.75 -0.00 0.00 0.69 0.00 0.00 54.13 53.98 1gpw s LEU 45 Cb 0.05 -1.24 -0.00 0.00 -0.43 0.00 0.00 46.19 44.56 1gpw s LEU 45 CO 0.94 -0.11 -0.14 -0.22 -0.29 0.00 0.00 176.35 176.53 1gpw s LEU 46 N 1.41 2.52 -0.13 -0.68 2.96 0.21 0.07 118.68 125.04 1gpw s LEU 46 Ca 0.01 -0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 53.42 1gpw s LEU 46 Cb -0.15 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 1gpw s LEU 46 CO -0.09 0.09 0.03 -0.36 -1.32 0.00 0.00 176.35 174.69 1gpw s PHE 47 N 0.80 3.22 -0.52 5.38 0.40 0.38 -0.23 117.98 127.40 1gpw s PHE 47 Ca -0.05 0.10 0.04 0.00 -0.60 0.00 0.00 56.93 56.42 1gpw s PHE 47 Cb -0.15 -1.93 0.13 0.00 0.51 0.00 0.00 43.02 41.57 1gpw s PHE 47 CO 0.00 0.30 0.26 0.42 0.70 0.00 0.00 175.22 176.91 1gpw s ILE 48 N -0.25 2.64 0.00 0.64 1.01 0.15 -1.37 121.20 124.01 1gpw s ILE 48 Ca 0.07 -3.27 0.00 0.00 0.00 0.00 0.00 60.65 57.45 1gpw s ILE 48 Cb -0.12 -2.83 0.00 0.00 0.01 0.00 0.00 42.46 39.52 1gpw s ILE 48 CO 0.02 -0.80 0.00 -0.81 0.00 0.00 0.00 174.94 173.35 1gpw n PRO 49 N 3.17 2.80 0.00 2.79 -0.04 -1.26 -1.87 135.00 140.58 1gpw n PRO 49 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1gpw n PRO 49 Cb 0.33 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 1gpw n PRO 49 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gpw n GLY 50 N 5.00 3.16 3.06 0.55 0.00 -1.25 -3.08 105.19 112.63 1gpw n GLY 50 Ca 0.00 -1.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 1gpw n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gpw s VAL 51 N -2.40 -0.43 -5.00 1.61 1.01 -0.20 -1.61 120.40 113.38 1gpw s VAL 51 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1gpw s VAL 51 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.90 1gpw s VAL 51 CO 0.00 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.81 1gpw n GLY 52 N 5.27 -0.16 3.74 4.51 0.00 -1.26 -2.39 105.19 114.90 1gpw n GLY 52 Ca -0.08 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 1gpw n GLY 52 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1gpw s HIS 53 N -3.89 3.84 0.22 1.61 5.65 -1.26 -4.96 115.29 116.50 1gpw s HIS 53 Ca 0.00 1.81 -0.08 0.00 0.25 0.00 0.00 55.06 57.04 1gpw s HIS 53 Cb 0.00 -3.07 0.26 0.00 -1.18 0.00 0.00 32.58 28.59 1gpw s HIS 53 CO 0.00 0.16 1.83 0.35 -0.65 0.00 0.00 174.74 176.43 1gpw h PHE 54 N 4.92 0.83 -0.19 3.88 3.57 -1.97 -2.57 116.94 125.41 1gpw h PHE 54 Ca -0.44 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.08 1gpw h PHE 54 Cb 1.21 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1gpw h PHE 54 CO 0.63 0.43 0.09 0.78 -2.23 0.00 0.00 178.31 178.01 1gpw h GLY 55 N 0.84 0.29 -1.52 2.40 0.00 -1.90 -3.05 103.07 100.12 1gpw h GLY 55 Ca 0.32 -0.14 -0.50 0.00 0.00 0.00 0.00 47.33 47.01 1gpw h GLY 55 CO -0.16 0.13 0.38 1.85 0.00 0.00 0.00 176.54 178.74 1gpw s GLU 56 N -5.75 3.25 0.00 4.80 -6.30 -0.97 -1.24 118.70 112.49 1gpw s GLU 56 Ca -0.13 1.02 0.00 0.00 -2.50 0.00 0.00 54.97 53.35 1gpw s GLU 56 Cb 0.07 -2.03 0.00 0.00 0.00 0.00 0.00 34.13 32.17 1gpw s GLU 56 CO 0.70 -0.86 0.00 0.41 0.02 0.00 0.00 175.26 175.53 1gpw n GLY 57 N -1.68 2.53 0.13 -1.50 0.00 -1.26 -4.48 105.19 98.93 1gpw n GLY 57 Ca 0.08 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 1gpw n GLY 57 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1gpw h MET 58 N 0.00 0.34 -0.94 1.61 2.86 -1.40 -1.36 114.93 116.04 1gpw h MET 58 Ca 0.00 -0.21 0.16 0.00 -2.06 0.00 0.00 59.70 57.59 1gpw h MET 58 Cb 0.00 0.02 -0.10 0.00 0.06 0.00 0.00 31.60 31.58 1gpw h MET 58 CO 0.00 0.79 0.54 -0.09 1.06 0.00 0.00 176.91 179.22 1gpw h ARG 59 N -0.08 0.73 0.00 1.72 2.43 -1.40 0.25 114.38 118.04 1gpw h ARG 59 Ca 0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1gpw h ARG 59 Cb 0.77 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1gpw h ARG 59 CO 0.04 0.48 0.00 0.00 -1.51 0.00 0.00 179.97 178.99 1gpw h ARG 60 N 0.75 0.00 0.00 0.20 3.08 -1.76 -2.13 114.38 114.52 1gpw h ARG 60 Ca 0.52 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.42 1gpw h ARG 60 Cb 0.73 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1gpw h ARG 60 CO -0.35 0.00 -0.93 -0.07 -1.07 0.00 0.00 179.97 177.55 1gpw h LEU 61 N 0.00 0.00 0.07 3.04 3.38 0.16 -3.19 115.31 118.76 1gpw h LEU 61 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gpw h LEU 61 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1gpw h LEU 61 CO 0.00 0.63 -0.03 0.03 0.09 0.00 0.00 178.44 179.15 1gpw h ARG 62 N 0.00 -0.09 -0.47 1.13 3.08 -1.04 -0.55 114.38 116.44 1gpw h ARG 62 Ca -0.07 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.12 1gpw h ARG 62 Cb 1.54 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.59 1gpw h ARG 62 CO 0.07 -0.06 0.35 1.05 -1.07 0.00 0.00 179.97 180.31 1gpw h GLU 63 N -0.44 0.00 -0.04 0.04 4.11 -1.58 0.25 114.58 116.91 1gpw h GLU 63 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1gpw h GLU 63 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1gpw h GLU 63 CO 0.02 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.19 1gpw n ASN 64 N -4.37 1.52 -3.41 3.06 3.02 -1.20 -4.96 115.26 108.92 1gpw n ASN 64 Ca 0.08 -1.53 -0.17 0.00 -0.03 0.00 0.00 54.58 52.93 1gpw n ASN 64 Cb 0.56 -0.02 0.07 0.00 -0.61 0.00 0.00 39.78 39.78 1gpw n ASN 64 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1gpw n ASP 65 N 0.19 -3.66 -0.00 6.41 2.03 0.86 -4.52 116.55 117.86 1gpw n ASP 65 Ca 0.19 -0.69 0.03 0.00 0.52 0.00 0.00 54.79 54.84 1gpw n ASP 65 Cb 0.35 -4.97 -0.04 0.00 -0.72 0.00 0.00 41.12 35.74 1gpw n ASP 65 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1gpw n LEU 66 N -3.84 0.19 -0.04 -2.67 4.77 -0.23 -4.14 117.00 111.05 1gpw n LEU 66 Ca -0.21 -0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 55.34 1gpw n LEU 66 Cb 0.65 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.71 1gpw n LEU 66 CO 0.61 0.05 0.89 0.40 -1.33 0.00 0.00 177.39 178.01 1gpw h ILE 67 N 0.00 0.91 -0.71 -0.08 2.04 -1.85 -0.02 117.51 117.80 1gpw h ILE 67 Ca 0.00 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1gpw h ILE 67 Cb 0.18 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1gpw h ILE 67 CO 0.00 0.02 0.31 0.44 0.00 0.00 0.00 178.15 178.92 1gpw h ASP 68 N 0.11 0.96 -0.22 1.72 3.32 -1.90 -1.24 116.42 119.16 1gpw h ASP 68 Ca 0.08 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.01 1gpw h ASP 68 Cb 0.08 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 1gpw h ASP 68 CO -0.11 0.85 0.05 0.15 -1.72 0.00 0.00 179.24 178.45 1gpw h PHE 69 N 1.00 0.08 0.40 4.55 3.57 -1.69 -2.74 116.94 122.11 1gpw h PHE 69 Ca 0.24 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 1gpw h PHE 69 Cb 0.17 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1gpw h PHE 69 CO 0.01 0.03 -0.35 0.28 -2.23 0.00 0.00 178.31 176.05 1gpw h VAL 70 N 0.14 0.28 -0.24 1.41 2.07 -0.68 -2.62 116.25 116.61 1gpw h VAL 70 Ca 0.10 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.69 1gpw h VAL 70 Cb 0.09 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1gpw h VAL 70 CO -0.13 0.00 0.58 -0.09 0.02 0.00 0.00 177.57 177.95 1gpw h ARG 71 N -0.75 0.00 0.00 1.57 9.65 -1.03 0.41 114.38 124.23 1gpw h ARG 71 Ca -0.03 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1gpw h ARG 71 Cb 0.66 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.24 1gpw h ARG 71 CO -0.03 0.00 -0.55 0.87 2.80 0.00 0.00 179.97 183.06 1gpw h LYS 72 N 0.00 0.00 -0.05 0.20 1.57 -1.17 -3.02 116.57 114.10 1gpw h LYS 72 Ca 0.12 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.69 1gpw h LYS 72 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1gpw h LYS 72 CO -0.00 0.00 -0.84 0.45 -0.57 0.00 0.00 179.45 178.49 1gpw h HIS 73 N 0.00 0.65 -0.35 -1.35 3.86 -0.17 -1.55 115.15 116.23 1gpw h HIS 73 Ca 0.00 -0.32 -0.06 0.00 -1.16 0.00 0.00 60.37 58.84 1gpw h HIS 73 Cb 0.92 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.29 1gpw h HIS 73 CO 0.00 1.11 0.00 0.28 0.86 0.00 0.00 177.93 180.18 1gpw h VAL 74 N 0.29 1.26 0.00 2.45 2.07 -1.56 0.42 116.25 121.17 1gpw h VAL 74 Ca -0.06 -0.97 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 1gpw h VAL 74 Cb 1.45 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 1gpw h VAL 74 CO 0.15 0.32 -0.26 -0.33 0.02 0.00 0.00 177.57 177.47 1gpw h GLU 75 N 0.44 0.00 -0.64 1.57 5.08 -1.52 -2.47 114.58 117.04 1gpw h GLU 75 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1gpw h GLU 75 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1gpw h GLU 75 CO 0.02 0.26 0.00 -3.47 -1.00 0.00 0.00 179.01 174.82 1gpw n ASP 76 N -3.38 4.82 -3.81 1.42 4.64 -0.59 -4.94 116.55 114.71 1gpw n ASP 76 Ca 0.00 -2.65 -0.32 0.00 -1.38 0.00 0.00 54.79 50.44 1gpw n ASP 76 Cb 0.47 -0.62 0.02 0.00 -1.04 0.00 0.00 41.12 39.95 1gpw n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1gpw n GLU 77 N 0.71 -0.98 -4.33 -0.67 1.02 -0.93 -4.91 120.64 110.55 1gpw n GLU 77 Ca 0.24 0.50 -0.24 0.00 -0.02 0.00 0.00 57.16 57.64 1gpw n GLU 77 Cb 0.98 -3.07 -0.08 0.00 -0.02 0.00 0.00 31.44 29.25 1gpw n GLU 77 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1gpw s ARG 78 N -5.92 2.12 -0.13 3.49 1.81 0.15 -4.22 118.95 116.25 1gpw s ARG 78 Ca 0.29 -1.59 -0.26 0.00 -1.72 0.00 0.00 55.73 52.45 1gpw s ARG 78 Cb -0.14 -2.02 -0.02 0.00 -0.45 0.00 0.00 34.95 32.33 1gpw s ARG 78 CO 0.90 0.27 0.85 0.71 -0.68 0.00 0.00 175.30 177.35 1gpw s TYR 79 N -2.43 3.48 -0.15 -0.53 1.51 -0.50 -4.53 117.35 114.21 1gpw s TYR 79 Ca 0.33 1.34 -0.00 0.00 -1.01 0.00 0.00 57.07 57.72 1gpw s TYR 79 Cb -0.04 -3.02 -0.01 0.00 -0.11 0.00 0.00 41.96 38.79 1gpw s TYR 79 CO 0.19 -0.17 -0.14 0.08 -1.11 0.00 0.00 175.55 174.40 1gpw s VAL 80 N 1.84 2.89 -0.06 0.71 1.01 -0.56 -0.62 120.40 125.61 1gpw s VAL 80 Ca 0.41 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1gpw s VAL 80 Cb -0.17 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 34.01 1gpw s VAL 80 CO 0.15 0.51 -0.05 -0.69 0.00 0.00 0.00 175.10 175.03 1gpw s VAL 81 N 0.63 0.63 -0.03 2.92 1.01 0.67 -0.52 120.40 125.71 1gpw s VAL 81 Ca -0.08 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1gpw s VAL 81 Cb -0.16 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 1gpw s VAL 81 CO 0.03 0.26 -0.04 -0.83 0.00 0.00 0.00 175.10 174.52 1gpw s GLY 82 N 1.18 1.77 -0.07 4.51 0.00 -0.33 0.31 107.32 114.70 1gpw s GLY 82 Ca -0.07 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 43.74 1gpw s GLY 82 CO -0.01 -0.77 -0.14 0.14 0.00 0.00 0.00 173.10 172.32 1gpw s VAL 83 N -0.95 1.26 0.00 1.40 1.01 -0.78 -0.84 120.40 121.50 1gpw s VAL 83 Ca 0.16 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1gpw s VAL 83 Cb -0.11 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.13 1gpw s VAL 83 CO 0.06 0.38 0.00 0.00 0.00 0.00 0.00 175.10 175.54 1gpw h LEU 85 N 0.00 1.06 -0.90 0.00 5.85 -1.57 -2.73 115.31 117.03 1gpw h LEU 85 Ca 0.00 -0.22 0.12 0.00 0.84 0.00 0.00 57.88 58.62 1gpw h LEU 85 Cb 0.00 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 40.67 1gpw h LEU 85 CO 0.00 1.01 0.53 1.23 -0.34 0.00 0.00 178.44 180.87 1gpw h GLY 86 N 1.09 1.46 1.01 3.75 0.00 -1.18 -1.46 103.07 107.74 1gpw h GLY 86 Ca 0.22 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1gpw h GLY 86 CO 0.00 0.10 0.43 1.98 0.00 0.00 0.00 176.54 179.05 1gpw h MET 87 N 0.83 1.07 0.00 4.80 1.85 -1.61 -2.33 114.93 119.53 1gpw h MET 87 Ca 0.46 -0.12 -0.08 0.00 -0.61 0.00 0.00 59.70 59.35 1gpw h MET 87 Cb 0.50 -0.21 -0.01 0.00 0.43 0.00 0.00 31.60 32.30 1gpw h MET 87 CO -0.28 0.79 -0.38 1.96 -0.40 0.00 0.00 176.91 178.60 1gpw h GLN 88 N 1.06 0.00 0.00 0.39 4.20 -1.25 -2.48 115.11 117.03 1gpw h GLN 88 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1gpw h GLN 88 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1gpw h GLN 88 CO -0.04 0.38 0.00 1.28 -0.67 0.00 0.00 178.83 179.77 1gpw n LEU 89 N -3.85 0.00 0.08 1.46 4.32 -0.65 -2.09 117.00 116.27 1gpw n LEU 89 Ca -0.01 0.41 0.13 0.00 -0.02 0.00 0.00 56.01 56.52 1gpw n LEU 89 Cb 0.44 -0.41 0.35 0.00 -1.62 0.00 0.00 43.42 42.18 1gpw n LEU 89 CO 0.38 -0.22 0.72 0.18 -1.22 0.00 0.00 177.39 177.22 1gpw n LEU 90 N -1.41 0.69 -4.98 2.23 4.77 -0.93 -1.56 117.00 115.80 1gpw n LEU 90 Ca 0.05 0.44 -0.23 0.00 -0.03 0.00 0.00 56.01 56.24 1gpw n LEU 90 Cb 0.14 -0.30 0.09 0.00 -2.33 0.00 0.00 43.42 41.02 1gpw n LEU 90 CO 0.12 -0.11 0.52 -0.36 -1.33 0.00 0.00 177.39 176.22 1gpw s PHE 91 N -3.10 1.93 0.01 -1.77 0.40 -0.89 0.15 117.98 114.71 1gpw s PHE 91 Ca 0.10 -0.17 -0.26 0.00 -0.60 0.00 0.00 56.93 56.00 1gpw s PHE 91 Cb 0.14 -2.97 -0.16 0.00 0.51 0.00 0.00 43.02 40.54 1gpw s PHE 91 CO 0.63 -1.53 1.18 0.93 0.70 0.00 0.00 175.22 177.13 1gpw h GLU 92 N -0.42 -0.69 -3.46 0.44 5.08 -1.37 -1.96 114.58 112.20 1gpw h GLU 92 Ca -0.38 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1gpw h GLU 92 Cb 1.28 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 30.60 1gpw h GLU 92 CO 0.44 -0.38 -0.02 -1.83 -1.00 0.00 0.00 179.01 176.22 1gpw s GLU 93 N -4.71 1.60 0.06 2.33 -1.05 -1.26 -0.70 118.70 114.97 1gpw s GLU 93 Ca -0.14 -1.16 -0.03 0.00 -0.15 0.00 0.00 54.97 53.49 1gpw s GLU 93 Cb 0.02 0.51 -0.03 0.00 -0.44 0.00 0.00 34.13 34.19 1gpw s GLU 93 CO 0.48 -0.69 0.03 0.45 0.95 0.00 0.00 175.26 176.49 1gpw s SER 94 N -2.98 0.38 0.35 0.83 0.15 -1.26 0.33 113.70 111.49 1gpw s SER 94 Ca 0.19 -0.88 0.23 0.00 0.70 0.00 0.00 55.95 56.19 1gpw s SER 94 Cb -0.02 0.24 0.36 0.00 -1.71 0.00 0.00 66.02 64.89 1gpw s SER 94 CO 0.08 -0.63 1.53 -0.33 1.20 0.00 0.00 173.24 175.09 1gpw h GLU 95 N 3.08 0.00 0.00 5.44 5.08 -1.68 -3.20 114.58 123.30 1gpw h GLU 95 Ca -0.34 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1gpw h GLU 95 Cb 1.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1gpw h GLU 95 CO 0.63 0.00 -0.08 1.49 -1.00 0.00 0.00 179.01 180.05 1gpw h GLU 96 N 0.00 0.00 -1.81 2.33 4.81 -1.97 -3.35 114.58 114.60 1gpw h GLU 96 Ca 0.00 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.86 1gpw h GLU 96 Cb 0.94 0.00 -0.29 0.00 0.63 0.00 0.00 28.75 30.03 1gpw h GLU 96 CO 0.00 0.08 -0.72 0.00 -0.73 0.00 0.00 179.01 177.63 1gpw s ALA 97 N -4.60 -0.33 0.00 2.92 0.00 -1.21 -4.82 121.76 113.72 1gpw s ALA 97 Ca -0.04 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1gpw s ALA 97 Cb 0.15 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1gpw s ALA 97 CO 0.61 -2.12 0.00 -2.30 0.00 0.00 0.00 175.76 171.95 1gpw n PRO 98 N 3.46 0.00 -0.38 0.00 -0.02 -1.24 -2.15 135.00 134.66 1gpw n PRO 98 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1gpw n PRO 98 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 1gpw n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gpw n GLY 99 N 0.00 2.30 3.48 -1.23 0.00 -1.26 -4.55 105.19 103.93 1gpw n GLY 99 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1gpw n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gpw s VAL 100 N 0.09 5.01 0.72 1.61 1.01 -0.92 -5.08 120.40 122.86 1gpw s VAL 100 Ca 0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 1gpw s VAL 100 Cb 0.00 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.78 1gpw s VAL 100 CO 0.00 -0.06 1.09 -0.54 0.00 0.00 0.00 175.10 175.59 1gpw s LYS 101 N 1.67 2.56 0.42 2.72 -0.14 -1.26 -4.41 119.74 121.29 1gpw s LYS 101 Ca 0.05 1.19 0.07 0.00 -1.36 0.00 0.00 55.97 55.92 1gpw s LYS 101 Cb -0.18 -1.93 -0.05 0.00 -1.68 0.00 0.00 37.83 33.99 1gpw s LYS 101 CO 0.09 -1.41 0.15 0.20 -0.76 0.00 0.00 175.35 173.61 1gpw s GLY 102 N -3.22 2.39 0.37 -3.33 0.00 0.12 -4.97 107.32 98.69 1gpw s GLY 102 Ca 0.62 -2.07 0.21 0.00 0.00 0.00 0.00 44.72 43.48 1gpw s GLY 102 CO 0.51 -1.96 1.60 1.41 0.00 0.00 0.00 173.10 174.66 1gpw h LEU 103 N 1.47 0.35 -1.38 0.66 3.38 -1.37 -3.44 115.31 114.98 1gpw h LEU 103 Ca -0.43 0.23 -0.26 0.00 0.09 0.00 0.00 57.88 57.51 1gpw h LEU 103 Cb 1.25 0.23 0.12 0.00 0.09 0.00 0.00 40.66 42.35 1gpw h LEU 103 CO 0.72 -0.36 -0.54 -1.20 0.09 0.00 0.00 178.44 177.15 1gpw n SER 104 N -5.16 -3.40 -0.07 -0.43 7.64 -0.74 -4.94 113.62 106.52 1gpw n SER 104 Ca 0.37 -0.43 0.13 0.00 1.01 0.00 0.00 58.87 59.95 1gpw n SER 104 Cb 1.25 -3.86 0.37 0.00 -1.01 0.00 0.00 64.21 60.96 1gpw n SER 104 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1gpw n LEU 105 N -3.52 0.56 -3.82 -3.43 4.77 0.12 -4.83 117.00 106.86 1gpw n LEU 105 Ca -0.12 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.74 1gpw n LEU 105 Cb 0.59 -0.24 -0.13 0.00 -2.33 0.00 0.00 43.42 41.31 1gpw n LEU 105 CO 0.46 0.12 -0.21 -0.63 -1.33 0.00 0.00 177.39 175.80 1gpw s ILE 106 N -2.82 -0.00 0.22 -0.08 1.01 -0.37 -5.02 121.20 114.14 1gpw s ILE 106 Ca 0.17 0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 1gpw s ILE 106 Cb 0.18 -0.20 -0.09 0.00 0.01 0.00 0.00 42.46 42.36 1gpw s ILE 106 CO 0.61 0.00 1.26 -1.83 0.00 0.00 0.00 174.94 174.98 1gpw s GLU 107 N 0.14 4.44 0.00 2.79 1.03 -1.26 -3.85 118.70 121.99 1gpw s GLU 107 Ca -0.01 2.00 0.00 0.00 0.03 0.00 0.00 54.97 57.00 1gpw s GLU 107 Cb -0.02 -3.19 0.00 0.00 -0.80 0.00 0.00 34.13 30.13 1gpw s GLU 107 CO -0.00 -0.15 0.00 0.41 -1.33 0.00 0.00 175.26 174.19 1gpw n GLY 108 N 1.96 3.19 3.51 -3.83 0.00 -1.26 -4.54 105.19 104.22 1gpw n GLY 108 Ca 0.04 -1.85 -0.26 0.00 0.00 0.00 0.00 46.02 43.95 1gpw n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gpw s ASN 109 N 0.00 2.84 -0.22 1.61 4.22 -1.11 -1.50 114.94 120.79 1gpw s ASN 109 Ca 0.00 -1.75 -0.05 0.00 -2.14 0.00 0.00 52.86 48.92 1gpw s ASN 109 Cb 0.00 0.62 -0.02 0.00 1.28 0.00 0.00 41.25 43.14 1gpw s ASN 109 CO 0.00 -1.01 -0.02 -0.69 -2.04 0.00 0.00 177.10 173.34 1gpw s VAL 110 N -3.18 3.68 0.18 3.54 1.01 0.15 -1.68 120.40 124.10 1gpw s VAL 110 Ca 0.23 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 61.89 1gpw s VAL 110 Cb 0.01 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1gpw s VAL 110 CO 0.16 0.42 -0.02 -0.69 0.00 0.00 0.00 175.10 174.97 1gpw s VAL 111 N 1.31 3.60 0.22 2.92 1.01 -0.24 -1.80 120.40 127.43 1gpw s VAL 111 Ca 0.04 -1.50 -0.29 0.00 0.00 0.00 0.00 61.98 60.23 1gpw s VAL 111 Cb -0.14 -2.82 -0.09 0.00 0.00 0.00 0.00 36.38 33.33 1gpw s VAL 111 CO -0.00 -0.13 0.90 -0.75 0.00 0.00 0.00 175.10 175.12 1gpw s LYS 112 N -2.98 4.80 0.88 2.72 2.20 -1.26 0.89 119.74 126.99 1gpw s LYS 112 Ca 0.27 1.42 -0.13 0.00 -0.36 0.00 0.00 55.97 57.17 1gpw s LYS 112 Cb -0.09 -3.28 0.06 0.00 -1.51 0.00 0.00 37.83 33.01 1gpw s LYS 112 CO 0.18 0.53 0.75 1.28 -0.36 0.00 0.00 175.35 177.73 1gpw n LEU 113 N 1.52 1.67 0.02 5.43 4.77 0.23 -4.81 117.00 125.81 1gpw n LEU 113 Ca -0.03 0.44 0.11 0.00 -0.03 0.00 0.00 56.01 56.50 1gpw n LEU 113 Cb 0.47 -1.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.22 1gpw n LEU 113 CO 0.49 -2.84 -0.06 0.54 -1.33 0.00 0.00 177.39 174.19 1gpw n ARG 114 N -2.46 0.25 -0.71 3.23 1.74 -1.26 -4.99 116.66 112.45 1gpw n ARG 114 Ca 0.10 -0.02 -0.32 0.00 -0.77 0.00 0.00 57.85 56.83 1gpw n ARG 114 Cb 0.52 -1.56 0.15 0.00 -1.02 0.00 0.00 32.46 30.56 1gpw n ARG 114 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1gpw n SER 115 N -1.87 -1.65 -0.02 0.55 2.88 -1.26 -4.96 113.62 107.30 1gpw n SER 115 Ca 0.02 0.20 -0.14 0.00 -1.33 0.00 0.00 58.87 57.62 1gpw n SER 115 Cb 0.42 -1.21 -0.14 0.00 -0.75 0.00 0.00 64.21 62.53 1gpw n SER 115 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1gpw n ARG 116 N -2.59 0.69 -1.54 -1.46 5.12 -1.26 -4.32 116.66 111.29 1gpw n ARG 116 Ca 0.06 0.26 -0.42 0.00 -1.93 0.00 0.00 57.85 55.82 1gpw n ARG 116 Cb 0.55 -1.74 -0.02 0.00 -1.16 0.00 0.00 32.46 30.09 1gpw n ARG 116 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1gpw n ARG 117 N -3.21 2.32 0.00 5.56 3.00 -1.26 -4.86 116.66 118.21 1gpw n ARG 117 Ca -0.25 -2.33 0.00 0.00 -0.00 0.00 0.00 57.85 55.27 1gpw n ARG 117 Cb 1.05 -3.16 0.00 0.00 0.00 0.00 0.00 32.46 30.35 1gpw n ARG 117 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1gpw n LEU 118 N 6.87 0.00 -4.70 6.15 4.32 -1.26 -4.25 117.00 124.13 1gpw n LEU 118 Ca 0.51 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 56.08 1gpw n LEU 118 Cb 0.40 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.17 1gpw n LEU 118 CO 0.95 0.00 1.27 -2.84 -1.22 0.00 0.00 177.39 175.55 1gpw s PRO 119 N -0.49 4.21 -0.51 3.23 0.02 -1.26 -4.83 135.00 135.37 1gpw s PRO 119 Ca 0.00 2.33 -0.26 0.00 0.02 0.00 0.00 61.00 63.09 1gpw s PRO 119 Cb 0.00 -3.39 0.03 0.00 0.02 0.00 0.00 34.50 31.16 1gpw s PRO 119 CO 0.00 -0.67 0.98 -1.58 -0.33 0.00 0.00 177.00 175.41 1gpw s HIS 120 N 1.93 2.83 -0.03 6.54 2.46 -0.03 -4.94 115.29 124.05 1gpw s HIS 120 Ca 0.72 0.30 0.01 0.00 0.47 0.00 0.00 55.06 56.56 1gpw s HIS 120 Cb -0.41 -4.12 0.02 0.00 -0.13 0.00 0.00 32.58 27.94 1gpw s HIS 120 CO 0.32 -1.26 -0.04 1.41 -2.47 0.00 0.00 174.74 172.70 1gpw s MET 121 N 4.03 0.63 0.00 2.88 0.00 -1.26 -1.69 119.30 123.90 1gpw s MET 121 Ca 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 55.69 55.97 1gpw s MET 121 Cb -0.10 -0.67 0.00 0.00 0.00 0.00 0.00 34.83 34.06 1gpw s MET 121 CO 0.25 -0.05 0.00 0.41 0.00 0.00 0.00 175.02 175.63 1gpw n GLY 122 N 3.82 0.68 3.72 2.11 0.00 -0.09 -4.96 105.19 110.46 1gpw n GLY 122 Ca -0.23 -2.13 -0.39 0.00 0.00 0.00 0.00 46.02 43.26 1gpw n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1gpw s TRP 123 N -0.94 3.56 0.04 1.61 0.52 -1.26 -0.23 118.94 122.23 1gpw s TRP 123 Ca 0.00 1.12 -0.02 0.00 0.02 0.00 0.00 56.10 57.23 1gpw s TRP 123 Cb 0.00 -2.71 -0.03 0.00 -1.15 0.00 0.00 33.47 29.58 1gpw s TRP 123 CO 0.00 0.12 -0.01 1.21 0.02 0.00 0.00 176.95 178.29 1gpw s ASN 124 N 0.72 0.35 0.35 2.95 3.84 -0.83 -4.94 114.94 117.39 1gpw s ASN 124 Ca 0.33 -0.75 -0.25 0.00 0.21 0.00 0.00 52.86 52.40 1gpw s ASN 124 Cb -0.17 0.17 -0.10 0.00 -0.55 0.00 0.00 41.25 40.61 1gpw s ASN 124 CO 0.15 -0.49 1.00 -0.70 -2.79 0.00 0.00 177.10 174.27 1gpw s GLU 125 N -2.87 4.41 -0.12 0.43 2.12 -1.26 -1.23 118.70 120.18 1gpw s GLU 125 Ca -0.03 1.42 -0.00 0.00 0.36 0.00 0.00 54.97 56.72 1gpw s GLU 125 Cb 0.00 -2.70 0.02 0.00 0.26 0.00 0.00 34.13 31.72 1gpw s GLU 125 CO -0.06 0.10 -0.10 0.08 -0.54 0.00 0.00 175.26 174.74 1gpw s VAL 126 N -1.63 1.19 -0.28 3.70 1.01 0.09 -4.40 120.40 120.08 1gpw s VAL 126 Ca 0.53 -0.39 -0.09 0.00 0.00 0.00 0.00 61.98 62.03 1gpw s VAL 126 Cb -0.20 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 1gpw s VAL 126 CO 0.26 0.40 0.13 -0.63 0.00 0.00 0.00 175.10 175.26 1gpw s ILE 127 N 1.63 4.65 0.20 2.22 1.09 0.07 -2.97 121.20 128.09 1gpw s ILE 127 Ca 0.05 -0.21 -0.07 0.00 -1.10 0.00 0.00 60.65 59.31 1gpw s ILE 127 Cb -0.13 -3.27 -0.06 0.00 -1.06 0.00 0.00 42.46 37.94 1gpw s ILE 127 CO -0.09 0.20 0.48 -0.36 -0.10 0.00 0.00 174.94 175.07 1gpw s PHE 128 N 1.65 3.45 0.19 3.97 0.40 -1.26 -0.93 117.98 125.44 1gpw s PHE 128 Ca 0.06 0.73 -0.07 0.00 -0.60 0.00 0.00 56.93 57.05 1gpw s PHE 128 Cb -0.16 -2.14 0.11 0.00 0.51 0.00 0.00 43.02 41.34 1gpw s PHE 128 CO 0.06 0.33 1.60 0.87 0.70 0.00 0.00 175.22 178.79 1gpw h LYS 129 N 2.61 0.88 0.00 0.44 1.57 -1.51 -3.48 116.57 117.08 1gpw h LYS 129 Ca -0.47 -0.36 0.13 0.00 -1.87 0.00 0.00 60.65 58.09 1gpw h LYS 129 Cb 1.17 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.41 1gpw h LYS 129 CO 0.70 1.00 0.38 -0.40 -0.57 0.00 0.00 179.45 180.56 1gpw n ASP 130 N -4.12 -0.63 0.00 0.86 5.75 -1.26 -5.05 116.55 112.10 1gpw n ASP 130 Ca 0.00 -1.21 0.00 0.00 -0.01 0.00 0.00 54.79 53.58 1gpw n ASP 130 Cb 0.44 0.99 0.00 0.00 -1.03 0.00 0.00 41.12 41.52 1gpw n ASP 130 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1gpw n THR 131 N -0.40 0.00 -2.37 2.12 -1.04 -1.26 -4.82 114.28 106.52 1gpw n THR 131 Ca 0.01 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.71 1gpw n THR 131 Cb 0.27 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.76 1gpw n THR 131 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1gpw s PHE 132 N 0.00 3.52 -0.14 -1.42 0.40 -1.26 -5.04 117.98 114.05 1gpw s PHE 132 Ca 0.00 1.24 -0.29 0.00 -0.60 0.00 0.00 56.93 57.27 1gpw s PHE 132 Cb 0.00 -2.63 -0.01 0.00 0.51 0.00 0.00 43.02 40.89 1gpw s PHE 132 CO 0.00 -0.40 1.05 -1.25 0.70 0.00 0.00 175.22 175.32 1gpw s PRO 133 N -4.45 4.36 0.61 0.24 0.04 -1.26 -4.73 135.00 129.80 1gpw s PRO 133 Ca 0.55 1.43 -0.18 0.00 0.04 0.00 0.00 61.00 62.83 1gpw s PRO 133 Cb -0.10 -3.58 -0.03 0.00 0.04 0.00 0.00 34.50 30.83 1gpw s PRO 133 CO 0.40 -0.43 1.18 -0.80 0.04 0.00 0.00 177.00 177.39 1gpw s ASN 134 N 1.21 5.16 0.00 6.66 0.01 -1.26 -4.92 114.94 121.80 1gpw s ASN 134 Ca 0.48 2.31 0.00 0.00 -0.71 0.00 0.00 52.86 54.94 1gpw s ASN 134 Cb -0.18 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.89 1gpw s ASN 134 CO 0.15 -1.61 0.00 0.61 -1.51 0.00 0.00 177.10 174.74 1gpw n GLY 135 N 0.33 -0.69 3.68 0.66 0.00 -1.16 -5.00 105.19 103.01 1gpw n GLY 135 Ca 0.13 -1.35 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 1gpw n GLY 135 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gpw s TYR 136 N -2.84 3.37 0.13 1.61 1.51 -1.26 -0.73 117.35 119.14 1gpw s TYR 136 Ca 0.00 0.49 0.10 0.00 -1.01 0.00 0.00 57.07 56.65 1gpw s TYR 136 Cb 0.00 -2.42 -0.04 0.00 -0.11 0.00 0.00 41.96 39.39 1gpw s TYR 136 CO 0.00 0.05 -0.24 0.71 -1.11 0.00 0.00 175.55 174.96 1gpw s TYR 137 N 1.10 2.11 -0.09 2.71 1.51 -0.36 -4.89 117.35 119.43 1gpw s TYR 137 Ca 0.15 -0.40 -0.28 0.00 -1.01 0.00 0.00 57.07 55.53 1gpw s TYR 137 Cb -0.14 -1.13 -0.02 0.00 -0.11 0.00 0.00 41.96 40.56 1gpw s TYR 137 CO 0.06 0.31 0.93 -0.47 -1.11 0.00 0.00 175.55 175.27 1gpw s TYR 138 N -1.20 3.53 0.12 2.71 5.04 -1.26 -1.96 117.35 124.34 1gpw s TYR 138 Ca 0.12 1.51 0.08 0.00 -2.44 0.00 0.00 57.07 56.35 1gpw s TYR 138 Cb -0.10 -3.10 -0.04 0.00 0.35 0.00 0.00 41.96 39.08 1gpw s TYR 138 CO 0.06 -0.15 -0.15 -0.06 -1.34 0.00 0.00 175.55 173.91 1gpw s PHE 139 N 1.70 2.61 -0.39 4.97 0.40 0.68 -1.43 117.98 126.51 1gpw s PHE 139 Ca 0.46 -0.23 0.06 0.00 -0.60 0.00 0.00 56.93 56.62 1gpw s PHE 139 Cb -0.18 -1.36 0.18 0.00 0.51 0.00 0.00 43.02 42.16 1gpw s PHE 139 CO 0.19 0.41 0.68 0.08 0.70 0.00 0.00 175.22 177.29 1gpw s VAL 140 N -1.23 -0.90 0.16 -0.44 1.01 -1.16 -0.91 120.40 116.93 1gpw s VAL 140 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 61.98 61.94 1gpw s VAL 140 Cb -0.11 -0.05 0.07 0.00 0.00 0.00 0.00 36.38 36.30 1gpw s VAL 140 CO 0.12 0.00 0.63 -1.38 0.00 0.00 0.00 175.10 174.47 1gpw s HIS 141 N 1.92 -0.50 -0.07 5.22 -3.43 -0.68 -4.99 115.29 112.76 1gpw s HIS 141 Ca 0.16 0.27 0.06 0.00 -0.80 0.00 0.00 55.06 54.75 1gpw s HIS 141 Cb -0.03 0.57 -0.09 0.00 -1.43 0.00 0.00 32.58 31.60 1gpw s HIS 141 CO -0.09 -0.85 0.02 2.41 -2.00 0.00 0.00 174.74 174.23 1gpw n THR 142 N -0.38 0.47 -4.10 -5.38 -1.04 -1.26 -0.85 114.28 101.75 1gpw n THR 142 Ca -0.15 -0.29 -0.22 0.00 -2.04 0.00 0.00 64.05 61.34 1gpw n THR 142 Cb 0.64 -0.81 -0.04 0.00 -1.82 0.00 0.00 70.33 68.30 1gpw n THR 142 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1gpw s TYR 143 N -2.17 3.16 0.20 -1.42 1.51 -1.26 -0.60 117.35 116.76 1gpw s TYR 143 Ca -0.03 -0.09 0.01 0.00 -1.01 0.00 0.00 57.07 55.95 1gpw s TYR 143 Cb 0.02 -1.43 -0.05 0.00 -0.11 0.00 0.00 41.96 40.39 1gpw s TYR 143 CO 0.28 0.51 0.04 -0.98 -1.11 0.00 0.00 175.55 174.30 1gpw s ARG 144 N -3.81 1.20 0.30 -0.62 1.70 0.26 -4.80 118.95 113.18 1gpw s ARG 144 Ca 0.33 -1.60 -0.06 0.00 -0.47 0.00 0.00 55.73 53.93 1gpw s ARG 144 Cb -0.08 -0.21 -0.05 0.00 -0.57 0.00 0.00 34.95 34.03 1gpw s ARG 144 CO 0.25 -0.20 0.58 0.00 -1.08 0.00 0.00 175.30 174.86 1gpw s ALA 145 N -3.73 3.58 -0.23 7.88 0.00 -1.26 -1.08 121.76 126.92 1gpw s ALA 145 Ca 0.29 -0.49 -0.04 0.00 0.00 0.00 0.00 51.96 51.72 1gpw s ALA 145 Cb 0.07 -2.36 0.08 0.00 0.00 0.00 0.00 23.12 20.90 1gpw s ALA 145 CO 0.07 0.22 0.09 0.08 0.00 0.00 0.00 175.76 176.22 1gpw s VAL 146 N -2.11 0.22 0.34 0.00 1.01 -0.68 -4.53 120.40 114.66 1gpw s VAL 146 Ca 0.45 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.88 1gpw s VAL 146 Cb -0.11 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1gpw s VAL 146 CO 0.30 -0.44 0.26 0.00 0.00 0.00 0.00 175.10 175.22 1gpw s GLU 148 N -3.48 3.39 0.25 0.00 0.41 -1.26 -4.90 118.70 113.10 1gpw s GLU 148 Ca 0.39 1.34 -0.04 0.00 -0.41 0.00 0.00 54.97 56.25 1gpw s GLU 148 Cb 0.02 -2.03 0.47 0.00 -1.78 0.00 0.00 34.13 30.81 1gpw s GLU 148 CO 0.26 -0.77 1.72 1.49 -0.49 0.00 0.00 175.26 177.47 1gpw h GLU 149 N 0.83 0.38 -0.96 1.61 4.22 -2.01 0.81 114.58 119.46 1gpw h GLU 149 Ca -0.48 -0.02 0.28 0.00 0.08 0.00 0.00 59.36 59.21 1gpw h GLU 149 Cb 1.23 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 1gpw h GLU 149 CO 0.57 0.25 0.91 1.49 -2.18 0.00 0.00 179.01 180.06 1gpw h GLU 150 N 0.39 0.00 0.00 1.92 4.81 -1.96 0.44 114.58 120.18 1gpw h GLU 150 Ca 0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 1gpw h GLU 150 Cb 0.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1gpw h GLU 150 CO -0.44 0.00 -1.16 0.72 -0.73 0.00 0.00 179.01 177.41 1gpw n HIS 151 N -3.66 0.02 -2.22 0.92 8.25 0.27 -4.90 115.22 113.89 1gpw n HIS 151 Ca 0.21 0.01 -0.42 0.00 -0.26 0.00 0.00 57.72 57.25 1gpw n HIS 151 Cb 1.22 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 32.17 1gpw n HIS 151 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1gpw s VAL 152 N -3.11 3.61 -0.03 1.59 1.01 0.15 -0.62 120.40 123.00 1gpw s VAL 152 Ca 0.05 1.07 0.03 0.00 0.00 0.00 0.00 61.98 63.14 1gpw s VAL 152 Cb 0.16 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 1gpw s VAL 152 CO 0.86 0.03 0.03 -0.11 0.00 0.00 0.00 175.10 175.91 1gpw n LEU 153 N 4.79 0.00 -3.87 3.92 0.00 -0.63 -4.79 117.00 116.42 1gpw n LEU 153 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 56.02 1gpw n LEU 153 Cb 0.43 0.07 -0.12 0.00 0.00 0.00 0.00 43.42 43.80 1gpw n LEU 153 CO 0.58 0.07 -0.27 -0.83 0.00 0.00 0.00 177.39 176.95 1gpw s GLY 154 N -3.27 -0.00 0.00 -3.96 0.00 -0.39 -1.22 107.32 98.48 1gpw s GLY 154 Ca -0.02 0.06 0.07 0.00 0.00 0.00 0.00 44.72 44.84 1gpw s GLY 154 CO 0.15 0.01 -0.22 -1.59 0.00 0.00 0.00 173.10 171.45 1gpw s THR 155 N -0.39 1.77 -0.01 0.90 2.01 -0.11 -1.36 115.64 118.46 1gpw s THR 155 Ca -0.05 -1.04 -0.07 0.00 0.31 0.00 0.00 61.69 60.85 1gpw s THR 155 Cb -0.03 -1.48 0.00 0.00 0.01 0.00 0.00 72.50 71.00 1gpw s THR 155 CO 0.00 0.43 0.14 -0.89 -0.69 0.00 0.00 174.62 173.61 1gpw s THR 156 N -0.60 0.07 -0.07 -0.82 2.01 -0.89 -0.75 115.64 114.58 1gpw s THR 156 Ca 0.09 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.59 1gpw s THR 156 Cb -0.09 -0.38 -0.00 0.00 0.01 0.00 0.00 72.50 72.04 1gpw s THR 156 CO -0.00 -0.30 -0.23 -1.83 -0.69 0.00 0.00 174.62 171.58 1gpw s GLU 157 N -1.05 2.59 -0.07 4.92 4.04 -1.26 -1.27 118.70 126.60 1gpw s GLU 157 Ca -0.11 -0.82 -0.01 0.00 0.04 0.00 0.00 54.97 54.06 1gpw s GLU 157 Cb -0.06 -2.09 0.03 0.00 0.02 0.00 0.00 34.13 32.03 1gpw s GLU 157 CO 0.01 0.26 0.00 -0.47 -1.84 0.00 0.00 175.26 173.22 1gpw s TYR 158 N 0.13 0.65 -1.53 4.83 5.04 0.03 -4.83 117.35 121.66 1gpw s TYR 158 Ca -0.11 -0.16 -0.03 0.00 -2.44 0.00 0.00 57.07 54.34 1gpw s TYR 158 Cb -0.15 -0.78 0.01 0.00 0.35 0.00 0.00 41.96 41.38 1gpw s TYR 158 CO 0.06 -0.32 0.30 -3.47 -1.34 0.00 0.00 175.55 170.78 1gpw n ASP 159 N 5.09 -5.46 0.00 4.32 4.64 -1.26 -1.90 116.55 121.98 1gpw n ASP 159 Ca -0.08 -0.14 0.00 0.00 -1.38 0.00 0.00 54.79 53.19 1gpw n ASP 159 Cb 0.50 -4.50 0.00 0.00 -1.04 0.00 0.00 41.12 36.08 1gpw n ASP 159 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1gpw n GLY 160 N -1.21 0.79 3.12 0.27 0.00 -1.26 -4.88 105.19 102.02 1gpw n GLY 160 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1gpw n GLY 160 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gpw s GLU 161 N -0.58 2.83 -0.21 1.61 2.12 -0.80 -5.11 118.70 118.57 1gpw s GLU 161 Ca 0.00 -0.78 -0.16 0.00 0.36 0.00 0.00 54.97 54.39 1gpw s GLU 161 Cb 0.00 -2.40 -0.04 0.00 0.26 0.00 0.00 34.13 31.95 1gpw s GLU 161 CO 0.00 -0.14 0.43 0.42 -0.54 0.00 0.00 175.26 175.43 1gpw s ILE 162 N 1.14 5.17 0.18 -3.70 1.01 -1.26 -0.79 121.20 122.94 1gpw s ILE 162 Ca 0.00 0.76 -0.01 0.00 0.00 0.00 0.00 60.65 61.41 1gpw s ILE 162 Cb -0.14 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 1gpw s ILE 162 CO -0.08 0.22 0.08 0.72 0.00 0.00 0.00 174.94 175.88 1gpw s PHE 163 N 1.49 1.08 -0.64 3.97 -0.12 -0.40 -4.99 117.98 118.38 1gpw s PHE 163 Ca 0.20 -1.27 -0.26 0.00 -0.05 0.00 0.00 56.93 55.55 1gpw s PHE 163 Cb -0.15 -0.57 0.04 0.00 -0.63 0.00 0.00 43.02 41.71 1gpw s PHE 163 CO 0.09 -0.52 1.12 -1.25 -0.05 0.00 0.00 175.22 174.60 1gpw s PRO 164 N -4.08 3.29 0.09 1.99 0.04 -1.26 -2.11 135.00 132.96 1gpw s PRO 164 Ca 0.31 -0.25 0.27 0.00 0.04 0.00 0.00 61.00 61.38 1gpw s PRO 164 Cb 0.07 -4.12 0.89 0.00 0.04 0.00 0.00 34.50 31.38 1gpw s PRO 164 CO 0.07 -1.81 1.74 -1.13 0.04 0.00 0.00 177.00 175.91 1gpw n SER 165 N 8.37 0.44 -3.91 6.66 3.41 -0.46 -4.61 113.62 123.51 1gpw n SER 165 Ca 0.03 0.39 -0.12 0.00 -0.26 0.00 0.00 58.87 58.91 1gpw n SER 165 Cb 0.48 -0.43 -0.13 0.00 -0.26 0.00 0.00 64.21 63.86 1gpw n SER 165 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gpw s ALA 166 N -3.06 0.10 -0.00 7.33 0.00 -1.09 0.41 121.76 125.46 1gpw s ALA 166 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 51.86 1gpw s ALA 166 Cb 0.16 0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.30 1gpw s ALA 166 CO 0.60 -0.03 0.03 0.54 0.00 0.00 0.00 175.76 176.90 1gpw s VAL 167 N -0.42 0.04 -0.05 0.00 0.11 0.11 -1.26 120.40 118.94 1gpw s VAL 167 Ca -0.04 -0.36 -0.05 0.00 -2.93 0.00 0.00 61.98 58.60 1gpw s VAL 167 Cb -0.03 -0.17 0.01 0.00 -1.53 0.00 0.00 36.38 34.66 1gpw s VAL 167 CO -0.00 -0.20 0.15 -0.60 -3.33 0.00 0.00 175.10 171.12 1gpw s ARG 168 N -0.59 0.22 -0.37 1.54 3.52 0.21 0.19 118.95 123.67 1gpw s ARG 168 Ca -0.07 0.11 0.05 0.00 -0.13 0.00 0.00 55.73 55.69 1gpw s ARG 168 Cb -0.04 0.10 0.17 0.00 -1.56 0.00 0.00 34.95 33.62 1gpw s ARG 168 CO -0.00 -0.03 0.47 0.21 -0.81 0.00 0.00 175.30 175.14 1gpw s LYS 169 N -0.15 0.67 7.15 5.12 2.20 -0.34 -4.33 119.74 130.05 1gpw s LYS 169 Ca -0.02 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 55.09 1gpw s LYS 169 Cb -0.02 -0.37 0.00 0.00 -1.51 0.00 0.00 37.83 35.93 1gpw s LYS 169 CO 0.00 -1.17 0.00 0.41 -0.36 0.00 0.00 175.35 174.23 1gpw n GLY 170 N 4.48 1.89 1.91 5.54 0.00 -1.26 -2.38 105.19 115.37 1gpw n GLY 170 Ca 0.10 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.51 1gpw n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gpw n ARG 171 N 12.58 2.20 -3.87 1.61 1.74 -1.26 -4.84 116.66 124.81 1gpw n ARG 171 Ca 0.00 -3.07 -0.36 0.00 -0.77 0.00 0.00 57.85 53.66 1gpw n ARG 171 Cb 0.00 -2.08 -0.14 0.00 -1.02 0.00 0.00 32.46 29.23 1gpw n ARG 171 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1gpw s ILE 172 N -3.27 3.41 0.17 0.55 1.01 -1.00 -1.49 121.20 120.58 1gpw s ILE 172 Ca 0.53 -0.74 0.10 0.00 0.00 0.00 0.00 60.65 60.54 1gpw s ILE 172 Cb 0.46 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1gpw s ILE 172 CO 0.08 0.23 -0.22 -0.76 0.00 0.00 0.00 174.94 174.26 1gpw s LEU 173 N 1.43 2.42 -0.09 2.97 1.43 0.32 -1.20 118.68 125.96 1gpw s LEU 173 Ca 0.03 -0.84 -0.08 0.00 -1.03 0.00 0.00 54.13 52.20 1gpw s LEU 173 Cb -0.16 -1.05 0.02 0.00 0.03 0.00 0.00 46.19 45.03 1gpw s LEU 173 CO -0.02 0.08 0.24 -0.83 0.23 0.00 0.00 176.35 176.05 1gpw s GLY 174 N -2.56 -0.18 -0.06 -3.19 0.00 0.13 -1.18 107.32 100.28 1gpw s GLY 174 Ca 0.18 0.69 0.02 0.00 0.00 0.00 0.00 44.72 45.60 1gpw s GLY 174 CO 0.08 0.62 -0.08 -1.36 0.00 0.00 0.00 173.10 172.35 1gpw s PHE 175 N 0.19 1.12 -0.22 1.90 0.40 -0.02 0.08 117.98 121.43 1gpw s PHE 175 Ca -0.01 -0.38 0.18 0.00 -0.60 0.00 0.00 56.93 56.12 1gpw s PHE 175 Cb -0.02 -0.88 0.09 0.00 0.51 0.00 0.00 43.02 42.72 1gpw s PHE 175 CO -0.00 -0.24 1.37 0.37 0.70 0.00 0.00 175.22 177.41 1gpw h GLN 176 N 7.09 0.00 -7.03 0.44 5.75 -0.34 0.15 115.11 121.17 1gpw h GLN 176 Ca -0.34 0.00 -0.45 0.00 -0.15 0.00 0.00 58.65 57.71 1gpw h GLN 176 Cb 1.17 0.00 0.07 0.00 1.07 0.00 0.00 27.48 29.79 1gpw h GLN 176 CO 0.47 0.32 0.07 -0.59 -2.65 0.00 0.00 178.83 176.45 1gpw s PHE 177 N -3.04 2.25 -0.61 3.99 -0.71 -1.26 -4.11 117.98 114.49 1gpw s PHE 177 Ca 0.03 -0.08 -0.16 0.00 -1.04 0.00 0.00 56.93 55.68 1gpw s PHE 177 Cb 0.07 -2.93 0.15 0.00 -1.21 0.00 0.00 43.02 39.10 1gpw s PHE 177 CO 0.74 -1.35 0.58 -1.01 -1.34 0.00 0.00 175.22 172.85 1gpw s HIS 178 N -3.01 3.34 0.53 3.49 3.76 -0.51 -4.21 115.29 118.68 1gpw s HIS 178 Ca 0.62 -1.42 0.26 0.00 -0.15 0.00 0.00 55.06 54.38 1gpw s HIS 178 Cb -0.08 -3.83 1.61 0.00 1.11 0.00 0.00 32.58 31.39 1gpw s HIS 178 CO 0.42 -1.04 2.18 -1.00 -0.85 0.00 0.00 174.74 174.44 1gpw h PRO 179 N 8.67 0.00 0.00 8.40 0.13 -1.90 -1.94 132.00 145.36 1gpw h PRO 179 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1gpw h PRO 179 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1gpw h PRO 179 CO 0.98 0.05 0.00 0.39 -0.23 0.00 0.00 178.00 179.19 1gpw n GLU 180 N -3.90 0.43 0.00 0.86 4.71 -1.26 -2.25 120.64 119.22 1gpw n GLU 180 Ca -0.03 0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.18 1gpw n GLU 180 Cb 0.14 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.07 1gpw n GLU 180 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1gpw n LYS 181 N -1.20 2.24 -1.09 3.49 4.76 -0.74 -4.74 118.16 120.88 1gpw n LYS 181 Ca 0.12 -1.29 -0.11 0.00 -2.87 0.00 0.00 58.31 54.17 1gpw n LYS 181 Cb 0.15 -0.96 0.28 0.00 -1.84 0.00 0.00 35.03 32.65 1gpw n LYS 181 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1gpw n SER 182 N -0.40 4.60 0.00 4.39 7.64 -0.96 -4.62 113.62 124.28 1gpw n SER 182 Ca 0.00 -3.33 0.00 0.00 1.01 0.00 0.00 58.87 56.55 1gpw n SER 182 Cb 0.23 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 1gpw n SER 182 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1gpw n SER 183 N -0.40 0.00 0.09 6.43 2.88 -1.26 -2.28 113.62 119.08 1gpw n SER 183 Ca 0.46 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.90 1gpw n SER 183 Cb 1.48 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.88 1gpw n SER 183 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1gpw h LYS 184 N 0.00 -0.49 -0.56 -1.46 1.57 -1.97 -2.39 116.57 111.26 1gpw h LYS 184 Ca 0.00 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 58.98 1gpw h LYS 184 Cb 0.00 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1gpw h LYS 184 CO 0.00 -0.33 0.44 0.97 -0.57 0.00 0.00 179.45 179.96 1gpw h ILE 185 N -0.51 0.60 -0.40 1.86 2.10 -1.92 0.17 117.51 119.41 1gpw h ILE 185 Ca -0.01 0.00 -0.14 0.00 1.08 0.00 0.00 64.86 65.79 1gpw h ILE 185 Cb 0.50 0.68 -0.01 0.00 -1.09 0.00 0.00 36.82 36.90 1gpw h ILE 185 CO -0.15 0.00 -0.29 1.23 -1.08 0.00 0.00 178.15 177.86 1gpw h GLY 186 N 0.00 0.94 1.80 8.18 0.00 -1.01 -0.94 103.07 112.05 1gpw h GLY 186 Ca 0.27 -0.87 -0.11 0.00 0.00 0.00 0.00 47.33 46.62 1gpw h GLY 186 CO -0.00 0.79 -0.41 -0.09 0.00 0.00 0.00 176.54 176.83 1gpw h ARG 187 N 0.74 0.22 -0.04 4.80 2.43 -0.30 -2.26 114.38 119.97 1gpw h ARG 187 Ca 0.08 -0.11 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 1gpw h ARG 187 Cb 0.84 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1gpw h ARG 187 CO 0.07 0.60 -0.57 -0.22 -1.51 0.00 0.00 179.97 178.35 1gpw h LYS 188 N 0.19 0.11 -0.23 0.20 3.64 -0.97 -1.63 116.57 117.88 1gpw h LYS 188 Ca 0.02 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 1gpw h LYS 188 Cb 0.81 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 1gpw h LYS 188 CO 0.06 0.65 -0.06 1.25 -2.27 0.00 0.00 179.45 179.09 1gpw h LEU 189 N 0.09 0.46 0.24 5.20 7.12 -0.68 -2.01 115.31 125.72 1gpw h LEU 189 Ca -0.00 -0.37 -0.01 0.00 0.13 0.00 0.00 57.88 57.63 1gpw h LEU 189 Cb 1.03 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 41.04 1gpw h LEU 189 CO 0.08 0.72 -0.11 -0.07 -0.13 0.00 0.00 178.44 178.92 1gpw h LEU 190 N 0.19 -0.27 -0.70 2.25 3.38 -1.30 -1.46 115.31 117.40 1gpw h LEU 190 Ca 0.06 -0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.13 1gpw h LEU 190 Cb 0.52 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.23 1gpw h LEU 190 CO 0.02 -0.13 0.15 -0.33 0.09 0.00 0.00 178.44 178.24 1gpw h GLU 191 N -0.40 0.24 -0.76 1.13 5.08 -1.29 0.21 114.58 118.79 1gpw h GLU 191 Ca -0.03 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1gpw h GLU 191 Cb 0.31 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1gpw h GLU 191 CO 0.05 0.16 0.40 -0.22 -1.00 0.00 0.00 179.01 178.40 1gpw h LYS 192 N 0.25 1.07 -0.59 2.33 1.63 -1.11 0.11 116.57 120.25 1gpw h LYS 192 Ca 0.38 -0.13 -0.09 0.00 -0.85 0.00 0.00 60.65 59.96 1gpw h LYS 192 Cb 0.63 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 1gpw h LYS 192 CO -0.49 0.79 0.01 0.28 -3.45 0.00 0.00 179.45 176.59 1gpw h VAL 193 N 1.07 1.26 -0.89 2.00 2.07 0.38 -1.13 116.25 121.00 1gpw h VAL 193 Ca 0.27 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1gpw h VAL 193 Cb 0.05 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1gpw h VAL 193 CO -0.04 0.41 0.50 0.40 0.02 0.00 0.00 177.57 178.86 1gpw h ILE 194 N 0.94 1.25 -0.54 4.57 2.04 0.06 -2.72 117.51 123.11 1gpw h ILE 194 Ca 0.17 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 1gpw h ILE 194 Cb 0.53 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1gpw h ILE 194 CO 0.03 0.28 0.09 -0.33 0.00 0.00 0.00 178.15 178.22 1gpw h GLU 195 N 1.24 0.90 -0.84 2.37 5.08 -0.17 -3.04 114.58 120.13 1gpw h GLU 195 Ca 0.32 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1gpw h GLU 195 Cb 0.00 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1gpw h GLU 195 CO -0.05 0.87 0.39 0.00 -1.00 0.00 0.00 179.01 179.21 1gpw n SER 197 N -4.30 0.40 -0.90 0.00 3.41 -1.05 -3.06 113.62 108.12 1gpw n SER 197 Ca 0.08 -1.87 0.12 0.00 -0.26 0.00 0.00 58.87 56.95 1gpw n SER 197 Cb 0.15 -0.20 0.16 0.00 -0.26 0.00 0.00 64.21 64.06 1gpw n SER 197 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1gpw n LEU 198 N -0.27 2.80 0.00 1.04 4.77 -0.97 -4.60 117.00 119.77 1gpw n LEU 198 Ca 0.00 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 1gpw n LEU 198 Cb 0.10 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1gpw n LEU 198 CO 0.00 0.47 0.01 -1.54 -1.33 0.00 0.00 177.39 175.00 1gpw n SER 199 N 1.19 0.00 -0.01 -1.43 3.41 -1.17 -4.89 113.62 110.72 1gpw n SER 199 Ca 0.15 0.01 -0.01 0.00 -0.26 0.00 0.00 58.87 58.76 1gpw n SER 199 Cb 0.57 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1gpw n SER 199 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1gpw n ARG 200 N -0.02 0.04 0.00 4.33 -4.01 -1.26 -5.22 116.66 110.51 1gpw n ARG 200 Ca 0.00 0.16 0.00 0.00 -1.04 0.00 0.00 57.85 56.97 1gpw n ARG 200 Cb 0.00 -0.72 0.00 0.00 -3.04 0.00 0.00 32.46 28.70 1gpw n ARG 200 CO 0.00 0.00 0.00 2.89 -3.04 0.00 0.00 177.63 177.48