#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 3.52 -0.07 2.12 3.52 -1.26 0.11 118.95 126.88 1gpw s ARG 2 Ca 0.00 -0.59 0.05 0.00 -0.13 0.00 0.00 55.73 55.06 1gpw s ARG 2 Cb 0.00 -3.50 -0.01 0.00 -1.56 0.00 0.00 34.95 29.89 1gpw s ARG 2 CO 0.00 -0.31 -0.24 0.42 -0.81 0.00 0.00 175.30 174.36 1gpw s ILE 3 N 1.63 1.99 0.08 4.11 1.01 0.38 -0.33 121.20 130.07 1gpw s ILE 3 Ca 0.05 -1.01 0.09 0.00 0.00 0.00 0.00 60.65 59.79 1gpw s ILE 3 Cb -0.16 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 1gpw s ILE 3 CO 0.06 0.55 -0.24 -0.83 0.00 0.00 0.00 174.94 174.48 1gpw s GLY 4 N 0.04 1.53 -0.18 6.18 0.00 0.29 -0.46 107.32 114.72 1gpw s GLY 4 Ca -0.09 -1.32 -0.03 0.00 0.00 0.00 0.00 44.72 43.27 1gpw s GLY 4 CO 0.05 -1.25 0.05 -0.42 0.00 0.00 0.00 173.10 171.53 1gpw s ILE 5 N -0.95 0.36 0.07 0.90 1.01 -0.40 -0.60 121.20 121.58 1gpw s ILE 5 Ca 0.14 -0.41 -0.30 0.00 0.00 0.00 0.00 60.65 60.08 1gpw s ILE 5 Cb -0.10 -0.88 -0.10 0.00 0.01 0.00 0.00 42.46 41.39 1gpw s ILE 5 CO 0.05 -0.19 1.93 -0.38 0.00 0.00 0.00 174.94 176.35 1gpw n ILE 6 N 5.12 0.62 0.80 2.92 -0.00 -0.91 -0.68 119.36 127.22 1gpw n ILE 6 Ca -0.08 -0.11 0.09 0.00 -0.00 0.00 0.00 62.75 62.64 1gpw n ILE 6 Cb 0.48 -2.26 0.00 0.00 -0.00 0.00 0.00 39.64 37.86 1gpw n ILE 6 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 1gpw n SER 7 N 6.84 1.78 0.25 4.38 3.41 0.08 -4.52 113.62 125.85 1gpw n SER 7 Ca 0.19 -1.39 -0.13 0.00 -0.26 0.00 0.00 58.87 57.28 1gpw n SER 7 Cb 0.40 0.45 -0.07 0.00 -0.26 0.00 0.00 64.21 64.73 1gpw n SER 7 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1gpw h VAL 8 N 2.05 0.26 -0.97 -3.33 2.07 -1.89 -3.48 116.25 110.96 1gpw h VAL 8 Ca 0.00 -0.49 -0.34 0.00 0.82 0.00 0.00 66.70 66.69 1gpw h VAL 8 Cb 0.62 0.38 0.09 0.00 -1.52 0.00 0.00 31.29 30.85 1gpw h VAL 8 CO 0.00 0.05 -0.55 0.61 0.02 0.00 0.00 177.57 177.70 1gpw n GLY 9 N -0.28 -1.58 3.75 2.17 0.00 -1.26 -4.90 105.19 103.08 1gpw n GLY 9 Ca -0.10 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1gpw n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gpw s PRO 10 N -0.55 2.40 0.00 1.61 0.04 -1.26 -4.87 135.00 132.37 1gpw s PRO 10 Ca 0.33 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1gpw s PRO 10 Cb -0.34 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1gpw s PRO 10 CO 0.35 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 176.21 1gpw n GLY 11 N -0.16 0.35 3.64 0.56 0.00 -1.22 -1.02 105.19 107.34 1gpw n GLY 11 Ca 0.12 -1.84 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.51 6.75 0.00 1.61 3.84 -1.26 -4.76 114.94 119.61 1gpw s ASN 12 Ca 0.00 1.31 0.10 0.00 0.21 0.00 0.00 52.86 54.48 1gpw s ASN 12 Cb 0.00 -2.54 -0.02 0.00 -0.55 0.00 0.00 41.25 38.14 1gpw s ASN 12 CO 0.00 -0.99 0.61 2.30 -2.79 0.00 0.00 177.10 176.23 1gpw n ILE 13 N 5.99 0.00 0.31 -5.21 -6.64 -1.26 -4.55 119.36 108.00 1gpw n ILE 13 Ca 0.14 -0.37 0.12 0.00 -1.77 0.00 0.00 62.75 60.87 1gpw n ILE 13 Cb 0.46 1.10 0.19 0.00 -1.44 0.00 0.00 39.64 39.96 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 0.97 0.00 -0.46 6.28 2.86 -1.97 -3.13 114.93 119.48 1gpw h MET 14 Ca 0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 1gpw h MET 14 Cb 0.33 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1gpw h MET 14 CO 0.00 0.00 -0.02 -0.91 1.06 0.00 0.00 176.91 177.04 1gpw h ASN 15 N 0.00 0.82 -0.73 1.22 2.35 -2.00 -2.18 115.58 115.06 1gpw h ASN 15 Ca 0.00 -0.32 -0.04 0.00 -0.55 0.00 0.00 56.30 55.39 1gpw h ASN 15 Cb 0.93 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 39.05 1gpw h ASN 15 CO 0.00 0.94 0.31 0.25 -1.65 0.00 0.00 177.43 177.27 1gpw h LEU 16 N 0.68 1.00 -0.03 1.61 5.85 -1.86 0.10 115.31 122.65 1gpw h LEU 16 Ca 0.13 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.72 1gpw h LEU 16 Cb 0.53 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 1gpw h LEU 16 CO 0.03 0.89 -0.25 0.22 -0.34 0.00 0.00 178.44 178.99 1gpw h TYR 17 N 1.04 -0.66 -0.38 1.25 3.20 -1.45 0.65 116.97 120.62 1gpw h TYR 17 Ca 0.25 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.07 1gpw h TYR 17 Cb 0.19 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1gpw h TYR 17 CO 0.01 -0.34 -0.04 0.00 -1.64 0.00 0.00 178.16 176.15 1gpw h ARG 18 N -0.37 0.62 -0.54 1.82 3.08 -1.17 -0.90 114.38 116.93 1gpw h ARG 18 Ca 0.07 -0.16 -0.10 0.00 0.07 0.00 0.00 59.98 59.86 1gpw h ARG 18 Cb 0.47 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1gpw h ARG 18 CO -0.24 0.68 -0.04 0.78 -1.07 0.00 0.00 179.97 180.07 1gpw h GLY 19 N 0.93 1.06 1.17 0.04 0.00 -0.18 0.18 103.07 106.26 1gpw h GLY 19 Ca 0.12 -0.81 -0.08 0.00 0.00 0.00 0.00 47.33 46.55 1gpw h GLY 19 CO 0.02 0.74 0.05 -2.08 0.00 0.00 0.00 176.54 175.27 1gpw h VAL 20 N 0.85 1.26 -0.10 4.60 2.07 0.73 -1.98 116.25 123.67 1gpw h VAL 20 Ca 0.15 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1gpw h VAL 20 Cb 0.59 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1gpw h VAL 20 CO 0.04 0.39 -0.04 0.50 0.02 0.00 0.00 177.57 178.48 1gpw h LYS 21 N 0.93 0.20 -0.92 1.57 3.64 -0.94 -1.92 116.57 119.13 1gpw h LYS 21 Ca 0.18 -0.08 0.14 0.00 -1.27 0.00 0.00 60.65 59.62 1gpw h LYS 21 Cb 0.48 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.21 1gpw h LYS 21 CO 0.02 0.53 0.59 0.00 -2.27 0.00 0.00 179.45 178.32 1gpw h ARG 22 N -0.15 0.73 0.00 1.90 3.08 -0.81 -0.99 114.38 118.14 1gpw h ARG 22 Ca 0.02 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1gpw h ARG 22 Cb 0.47 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1gpw h ARG 22 CO 0.01 0.48 0.00 0.00 -1.07 0.00 0.00 179.97 179.39 1gpw h ALA 23 N 1.59 1.00 -0.00 0.04 0.00 -1.14 -3.10 119.26 117.65 1gpw h ALA 23 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1gpw h ALA 23 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1gpw h ALA 23 CO -0.23 0.00 -0.42 -1.13 0.00 0.00 0.00 179.25 177.47 1gpw n SER 24 N -2.92 0.89 -0.34 0.00 3.41 -0.42 -4.54 113.62 109.70 1gpw n SER 24 Ca 0.03 -0.70 -0.07 0.00 -0.26 0.00 0.00 58.87 57.88 1gpw n SER 24 Cb 0.44 0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.61 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 -1.00 -0.32 0.00 4.33 1.02 -0.93 -0.28 120.64 123.46 1gpw n GLU 25 Ca 0.09 1.27 0.03 0.00 -0.02 0.00 0.00 57.16 58.53 1gpw n GLU 25 Cb 0.35 -1.88 0.16 0.00 -0.02 0.00 0.00 31.44 30.05 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 -5.10 0.00 -4.90 1.62 3.02 -1.26 -4.84 115.26 103.80 1gpw n ASN 26 Ca 0.03 -1.60 -0.20 0.00 -0.03 0.00 0.00 54.58 52.79 1gpw n ASN 26 Cb 0.25 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.39 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 2.86 0.22 3.10 0.40 0.61 -5.13 117.98 118.05 1gpw s PHE 27 Ca 0.08 -0.36 0.09 0.00 -0.60 0.00 0.00 56.93 56.14 1gpw s PHE 27 Cb 0.04 -2.00 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 1gpw s PHE 27 CO 0.06 -0.00 -0.02 -1.21 0.70 0.00 0.00 175.22 174.74 1gpw s GLU 28 N -4.10 2.27 -1.39 0.44 2.02 -1.26 -4.59 118.70 112.09 1gpw s GLU 28 Ca 0.45 -1.29 -0.04 0.00 0.02 0.00 0.00 54.97 54.11 1gpw s GLU 28 Cb -0.06 -2.22 0.02 0.00 0.10 0.00 0.00 34.13 31.97 1gpw s GLU 28 CO 0.28 0.41 0.33 -0.25 0.02 0.00 0.00 175.26 176.05 1gpw n ASP 29 N -0.45 -4.86 -4.66 -0.19 8.00 -1.26 -4.02 116.55 109.12 1gpw n ASP 29 Ca -0.08 -0.15 -0.42 0.00 0.71 0.00 0.00 54.79 54.84 1gpw n ASP 29 Cb 0.57 -4.01 -0.03 0.00 -0.02 0.00 0.00 41.12 37.63 1gpw n ASP 29 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1gpw s VAL 30 N -2.95 4.76 -0.23 2.53 1.01 -1.26 0.16 120.40 124.43 1gpw s VAL 30 Ca 0.21 1.83 0.02 0.00 0.00 0.00 0.00 61.98 64.03 1gpw s VAL 30 Cb -0.10 -4.22 0.05 0.00 0.00 0.00 0.00 36.38 32.11 1gpw s VAL 30 CO 0.25 -0.11 -0.11 -0.55 0.00 0.00 0.00 175.10 174.59 1gpw s SER 31 N 1.24 3.97 -0.25 3.32 0.15 0.29 -4.94 113.70 117.47 1gpw s SER 31 Ca 0.41 -1.16 -0.03 0.00 0.70 0.00 0.00 55.95 55.86 1gpw s SER 31 Cb -0.15 -1.41 0.01 0.00 -1.71 0.00 0.00 66.02 62.76 1gpw s SER 31 CO 0.08 -0.17 -0.03 -0.63 1.20 0.00 0.00 173.24 173.70 1gpw s ILE 32 N 1.24 3.22 0.11 6.45 1.01 -1.26 0.14 121.20 132.12 1gpw s ILE 32 Ca -0.05 -0.82 0.10 0.00 0.00 0.00 0.00 60.65 59.88 1gpw s ILE 32 Cb -0.18 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1gpw s ILE 32 CO -0.07 0.23 -0.25 -1.61 0.00 0.00 0.00 174.94 173.25 1gpw s GLU 33 N 1.40 1.57 -0.22 2.79 2.02 0.39 -5.00 118.70 121.64 1gpw s GLU 33 Ca 0.02 -1.27 -0.18 0.00 0.02 0.00 0.00 54.97 53.57 1gpw s GLU 33 Cb -0.16 -1.97 -0.03 0.00 0.10 0.00 0.00 34.13 32.07 1gpw s GLU 33 CO -0.03 0.47 0.51 -0.51 0.02 0.00 0.00 175.26 175.72 1gpw s LEU 34 N -1.95 4.11 -0.24 1.80 1.43 -1.26 -1.28 118.68 121.29 1gpw s LEU 34 Ca 0.15 0.60 -0.10 0.00 -1.03 0.00 0.00 54.13 53.74 1gpw s LEU 34 Cb -0.10 -2.67 -0.05 0.00 0.03 0.00 0.00 46.19 43.40 1gpw s LEU 34 CO 0.06 -0.21 0.15 -0.69 0.23 0.00 0.00 176.35 175.89 1gpw s VAL 35 N 1.88 5.25 0.00 -1.59 1.01 0.14 -4.88 120.40 122.21 1gpw s VAL 35 Ca 0.22 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1gpw s VAL 35 Cb -0.15 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1gpw s VAL 35 CO 0.09 0.34 0.09 -0.62 0.00 0.00 0.00 175.10 175.00 1gpw n GLU 36 N 4.41 5.09 -3.50 2.72 1.02 -1.26 -0.74 120.64 128.38 1gpw n GLU 36 Ca -0.15 -0.09 -0.09 0.00 -0.02 0.00 0.00 57.16 56.81 1gpw n GLU 36 Cb 0.52 -0.57 -0.02 0.00 -0.02 0.00 0.00 31.44 31.35 1gpw n GLU 36 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1gpw s SER 37 N -0.75 -0.40 0.46 1.62 1.04 -1.26 -4.88 113.70 109.52 1gpw s SER 37 Ca 0.00 -0.03 -0.21 0.00 0.48 0.00 0.00 55.95 56.19 1gpw s SER 37 Cb 0.00 0.44 -0.12 0.00 0.10 0.00 0.00 66.02 66.44 1gpw s SER 37 CO 0.00 -0.72 0.49 -2.65 0.98 0.00 0.00 173.24 171.33 1gpw n PRO 38 N -0.29 0.52 -4.58 4.02 -0.02 -1.26 -5.00 135.00 128.39 1gpw n PRO 38 Ca -0.10 0.19 -0.24 0.00 -2.02 0.00 0.00 63.50 61.33 1gpw n PRO 38 Cb 0.62 -1.51 -0.16 0.00 -0.02 0.00 0.00 33.50 32.43 1gpw n PRO 38 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1gpw s ARG 39 N -1.65 1.53 0.30 -0.52 1.81 -1.26 -5.03 118.95 114.13 1gpw s ARG 39 Ca 0.64 -0.42 0.04 0.00 -1.72 0.00 0.00 55.73 54.28 1gpw s ARG 39 Cb -0.56 -1.31 0.79 0.00 -0.45 0.00 0.00 34.95 33.42 1gpw s ARG 39 CO 0.58 0.08 1.46 -1.71 -0.68 0.00 0.00 175.30 175.03 1gpw n ASN 40 N 3.59 -0.05 -4.70 0.23 2.85 -1.26 -4.22 115.26 111.70 1gpw n ASN 40 Ca -0.21 1.57 -0.35 0.00 -0.11 0.00 0.00 54.58 55.48 1gpw n ASN 40 Cb 0.52 -0.60 -0.09 0.00 1.24 0.00 0.00 39.78 40.86 1gpw n ASN 40 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 1gpw s ASP 41 N -4.94 5.99 0.63 1.20 1.01 -1.26 -5.08 116.67 114.22 1gpw s ASP 41 Ca -0.11 0.18 -0.17 0.00 0.71 0.00 0.00 52.55 53.16 1gpw s ASP 41 Cb 0.28 -2.04 -0.02 0.00 1.01 0.00 0.00 42.92 42.15 1gpw s ASP 41 CO 0.72 0.18 1.13 -0.76 0.21 0.00 0.00 175.17 176.66 1gpw s LEU 42 N 0.33 3.51 0.65 1.23 1.43 -1.26 -5.03 118.68 119.55 1gpw s LEU 42 Ca 0.06 2.11 -0.04 0.00 -1.03 0.00 0.00 54.13 55.23 1gpw s LEU 42 Cb -0.11 -4.57 0.05 0.00 0.03 0.00 0.00 46.19 41.59 1gpw s LEU 42 CO -0.01 -1.56 0.93 -0.31 0.23 0.00 0.00 176.35 175.63 1gpw s TYR 43 N -2.08 2.91 -0.02 0.29 1.51 -1.26 -5.01 117.35 113.68 1gpw s TYR 43 Ca 0.70 0.30 -0.05 0.00 -1.01 0.00 0.00 57.07 57.01 1gpw s TYR 43 Cb -0.23 -3.04 -0.29 0.00 -0.11 0.00 0.00 41.96 38.30 1gpw s TYR 43 CO 0.37 -1.22 0.77 -0.44 -1.11 0.00 0.00 175.55 173.92 1gpw h ASP 44 N -0.37 0.46 -3.27 2.29 3.32 -1.03 -3.44 116.42 114.38 1gpw h ASP 44 Ca -0.44 -0.67 -0.51 0.00 0.02 0.00 0.00 57.03 55.43 1gpw h ASP 44 Cb 1.31 -0.15 -0.38 0.00 0.22 0.00 0.00 39.33 40.33 1gpw h ASP 44 CO 0.58 1.57 -0.78 -0.22 -1.72 0.00 0.00 179.24 178.66 1gpw s LEU 45 N -7.06 1.14 -0.19 1.55 0.20 -1.01 -2.03 118.68 111.28 1gpw s LEU 45 Ca -0.12 -0.45 0.01 0.00 0.69 0.00 0.00 54.13 54.26 1gpw s LEU 45 Cb 0.06 -0.70 0.02 0.00 -0.43 0.00 0.00 46.19 45.15 1gpw s LEU 45 CO 0.85 -0.20 -0.19 -0.22 -0.29 0.00 0.00 176.35 176.30 1gpw s LEU 46 N 1.79 2.22 -0.02 -0.68 2.96 0.08 -0.55 118.68 124.49 1gpw s LEU 46 Ca 0.02 -0.66 -0.08 0.00 -0.22 0.00 0.00 54.13 53.19 1gpw s LEU 46 Cb -0.14 -1.50 -0.05 0.00 0.50 0.00 0.00 46.19 45.00 1gpw s LEU 46 CO -0.07 -0.01 0.27 -0.36 -1.32 0.00 0.00 176.35 174.86 1gpw s PHE 47 N 1.29 3.61 -0.44 5.38 0.40 0.23 -1.50 117.98 126.96 1gpw s PHE 47 Ca 0.05 0.66 0.03 0.00 -0.60 0.00 0.00 56.93 57.06 1gpw s PHE 47 Cb -0.13 -2.05 0.12 0.00 0.51 0.00 0.00 43.02 41.48 1gpw s PHE 47 CO -0.12 0.64 0.20 0.42 0.70 0.00 0.00 175.22 177.06 1gpw s ILE 48 N -1.20 1.88 0.00 0.64 1.01 -0.29 -2.13 121.20 121.10 1gpw s ILE 48 Ca 0.24 -2.65 0.00 0.00 0.00 0.00 0.00 60.65 58.25 1gpw s ILE 48 Cb -0.14 -2.33 0.00 0.00 0.01 0.00 0.00 42.46 40.00 1gpw s ILE 48 CO 0.13 -0.79 0.00 -0.81 0.00 0.00 0.00 174.94 173.47 1gpw n PRO 49 N 3.66 3.22 0.00 2.79 -0.04 -1.26 -1.47 135.00 141.90 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 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 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 3.13 2.77 0.55 0.00 -1.25 -3.47 105.19 111.91 1gpw n GLY 50 Ca 0.00 -1.83 -0.16 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.39 -0.08 -3.81 1.61 1.01 -0.19 -1.94 120.40 114.61 1gpw s VAL 51 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1gpw s VAL 51 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.25 1gpw s VAL 51 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1gpw n GLY 52 N 4.52 0.66 3.71 4.51 0.00 -1.26 -3.41 105.19 113.91 1gpw n GLY 52 Ca -0.21 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.93 3.20 0.46 1.61 5.65 -1.26 -4.90 115.29 117.12 1gpw s HIS 53 Ca 0.00 0.92 0.13 0.00 0.25 0.00 0.00 55.06 56.35 1gpw s HIS 53 Cb 0.00 -3.70 1.07 0.00 -1.18 0.00 0.00 32.58 28.78 1gpw s HIS 53 CO 0.00 -2.46 2.08 0.35 -0.65 0.00 0.00 174.74 174.06 1gpw h PHE 54 N 6.88 0.28 0.22 3.88 3.57 -1.96 -2.29 116.94 127.52 1gpw h PHE 54 Ca -0.42 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.08 1gpw h PHE 54 Cb 1.21 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1gpw h PHE 54 CO 0.66 0.16 -0.10 0.78 -2.23 0.00 0.00 178.31 177.58 1gpw h GLY 55 N 0.29 -0.31 -0.89 2.40 0.00 -1.92 -3.22 103.07 99.43 1gpw h GLY 55 Ca 0.12 0.11 -0.42 0.00 0.00 0.00 0.00 47.33 47.14 1gpw h GLY 55 CO -0.02 -0.11 0.17 -0.54 0.00 0.00 0.00 176.54 176.03 1gpw s GLU 56 N -5.65 -0.83 0.00 4.80 0.41 -0.86 -2.17 118.70 114.40 1gpw s GLU 56 Ca -0.15 -0.03 0.00 0.00 -0.41 0.00 0.00 54.97 54.38 1gpw s GLU 56 Cb 0.04 -1.64 0.00 0.00 -1.78 0.00 0.00 34.13 30.75 1gpw s GLU 56 CO 0.63 -3.46 0.00 0.41 -0.49 0.00 0.00 175.26 172.35 1gpw n GLY 57 N -1.26 1.34 0.19 -1.39 0.00 -1.26 -4.11 105.19 98.71 1gpw n GLY 57 Ca 0.12 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 0.54 0.22 1.61 2.86 -1.56 -0.08 114.93 118.52 1gpw h MET 58 Ca 0.00 -0.47 -0.01 0.00 -2.06 0.00 0.00 59.70 57.16 1gpw h MET 58 Cb 0.00 0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1gpw h MET 58 CO 0.00 1.09 -0.10 -0.09 1.06 0.00 0.00 176.91 178.87 1gpw h ARG 59 N 0.36 -0.28 0.00 1.72 2.43 -1.59 -1.17 114.38 115.85 1gpw h ARG 59 Ca -0.05 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1gpw h ARG 59 Cb 1.39 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 31.01 1gpw h ARG 59 CO 0.15 0.02 -0.00 0.00 -1.51 0.00 0.00 179.97 178.63 1gpw h ARG 60 N -0.59 0.00 0.00 0.20 3.08 -1.84 0.19 114.38 115.42 1gpw h ARG 60 Ca -0.03 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1gpw h ARG 60 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1gpw h ARG 60 CO 0.05 0.00 -0.98 -0.07 -1.07 0.00 0.00 179.97 177.90 1gpw h LEU 61 N 0.00 0.00 0.11 3.04 3.38 -0.64 -3.32 115.31 117.88 1gpw h LEU 61 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1gpw h LEU 61 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1gpw h LEU 61 CO 0.00 0.13 -1.13 0.03 0.09 0.00 0.00 178.44 177.55 1gpw h ARG 62 N 0.00 0.23 0.00 1.13 3.08 0.24 -1.74 114.38 117.32 1gpw h ARG 62 Ca -0.03 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1gpw h ARG 62 Cb 1.13 0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1gpw h ARG 62 CO 0.01 1.19 0.00 0.39 -1.07 0.00 0.00 179.97 180.49 1gpw n GLU 63 N -4.06 0.24 -0.01 0.04 1.02 -0.44 -1.91 120.64 115.52 1gpw n GLU 63 Ca -0.21 0.13 0.02 0.00 -0.02 0.00 0.00 57.16 57.08 1gpw n GLU 63 Cb 0.84 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.78 1gpw n GLU 63 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1gpw n ASN 64 N -1.27 1.46 -3.58 1.62 3.02 -1.25 -5.01 115.26 110.25 1gpw n ASN 64 Ca 0.08 -1.28 -0.20 0.00 -0.03 0.00 0.00 54.58 53.15 1gpw n ASN 64 Cb 0.12 -0.01 0.06 0.00 -0.61 0.00 0.00 39.78 39.34 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 0.15 -1.83 -0.01 6.41 2.03 -0.80 -4.47 116.55 118.03 1gpw n ASP 65 Ca 0.02 -0.72 0.10 0.00 0.52 0.00 0.00 54.79 54.72 1gpw n ASP 65 Cb 0.13 -4.57 -0.14 0.00 -0.72 0.00 0.00 41.12 35.82 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 -4.25 0.44 0.04 -2.67 4.77 -0.66 -4.39 117.00 110.27 1gpw n LEU 66 Ca -0.28 -0.23 -0.10 0.00 -0.03 0.00 0.00 56.01 55.37 1gpw n LEU 66 Cb 0.67 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.72 1gpw n LEU 66 CO 0.65 0.11 0.75 0.40 -1.33 0.00 0.00 177.39 177.97 1gpw h ILE 67 N 0.00 0.58 -0.90 -0.08 2.04 -1.91 0.25 117.51 117.49 1gpw h ILE 67 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1gpw h ILE 67 Cb 0.74 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1gpw h ILE 67 CO 0.00 0.00 0.51 0.44 0.00 0.00 0.00 178.15 179.10 1gpw h ASP 68 N -0.26 1.11 0.84 1.72 3.32 -1.92 -0.65 116.42 120.58 1gpw h ASP 68 Ca 0.07 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 1gpw h ASP 68 Cb 0.35 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.63 1gpw h ASP 68 CO -0.19 0.87 -0.41 0.15 -1.72 0.00 0.00 179.24 177.95 1gpw h PHE 69 N 1.25 -1.05 -0.53 4.55 3.57 -1.61 -0.51 116.94 122.61 1gpw h PHE 69 Ca 0.32 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.90 1gpw h PHE 69 Cb -0.00 0.35 -0.10 0.00 2.79 0.00 0.00 35.95 38.98 1gpw h PHE 69 CO 0.01 -0.65 -0.15 0.28 -2.23 0.00 0.00 178.31 175.57 1gpw h VAL 70 N -1.19 0.44 -0.60 1.41 2.07 -0.47 -0.68 116.25 117.24 1gpw h VAL 70 Ca -0.12 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.53 1gpw h VAL 70 Cb 0.87 0.44 -0.11 0.00 -1.52 0.00 0.00 31.29 30.97 1gpw h VAL 70 CO 0.19 0.00 -0.08 -0.09 0.02 0.00 0.00 177.57 177.61 1gpw h ARG 71 N -0.02 0.05 -0.02 1.57 9.65 -0.96 0.23 114.38 124.88 1gpw h ARG 71 Ca 0.25 -0.00 0.01 0.00 -1.10 0.00 0.00 59.98 59.14 1gpw h ARG 71 Cb 0.41 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.97 1gpw h ARG 71 CO -0.56 0.03 0.04 -0.22 2.80 0.00 0.00 179.97 182.06 1gpw h LYS 72 N 0.05 0.00 -0.19 0.20 3.64 0.50 -2.22 116.57 118.55 1gpw h LYS 72 Ca 0.30 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.47 1gpw h LYS 72 Cb 0.48 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1gpw h LYS 72 CO -0.57 0.00 -0.70 0.45 -2.27 0.00 0.00 179.45 176.36 1gpw h HIS 73 N 0.00 1.08 0.41 1.91 3.86 -0.77 -1.17 115.15 120.47 1gpw h HIS 73 Ca 0.01 -0.45 -0.02 0.00 -1.16 0.00 0.00 60.37 58.75 1gpw h HIS 73 Cb 0.08 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.38 1gpw h HIS 73 CO 0.00 1.28 -0.21 0.28 0.86 0.00 0.00 177.93 180.14 1gpw h VAL 74 N 0.57 0.57 0.14 2.45 2.07 -1.38 0.18 116.25 120.86 1gpw h VAL 74 Ca -0.03 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1gpw h VAL 74 Cb 1.33 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 1gpw h VAL 74 CO 0.15 0.00 -0.51 -0.33 0.02 0.00 0.00 177.57 176.90 1gpw h GLU 75 N -0.57 -0.73 -0.60 1.57 5.08 -1.53 -0.93 114.58 116.87 1gpw h GLU 75 Ca -0.05 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1gpw h GLU 75 Cb 0.44 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1gpw h GLU 75 CO 0.08 -0.49 0.00 -3.47 -1.00 0.00 0.00 179.01 174.14 1gpw n ASP 76 N -5.49 0.60 -3.82 1.42 4.64 -0.44 -4.84 116.55 108.62 1gpw n ASP 76 Ca -0.08 -1.22 -0.28 0.00 -1.38 0.00 0.00 54.79 51.82 1gpw n ASP 76 Cb 0.41 -0.30 0.04 0.00 -1.04 0.00 0.00 41.12 40.23 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 0.19 -6.05 -3.76 -0.67 1.02 -0.35 -5.00 120.64 106.01 1gpw n GLU 77 Ca 0.00 0.66 -0.23 0.00 -0.02 0.00 0.00 57.16 57.57 1gpw n GLU 77 Cb 0.15 -5.56 -0.02 0.00 -0.02 0.00 0.00 31.44 25.99 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 -6.48 3.46 0.08 3.49 1.81 0.56 -4.63 118.95 117.25 1gpw s ARG 78 Ca 0.58 -0.59 -0.27 0.00 -1.72 0.00 0.00 55.73 53.73 1gpw s ARG 78 Cb -0.28 -2.82 -0.06 0.00 -0.45 0.00 0.00 34.95 31.34 1gpw s ARG 78 CO 0.81 0.34 0.86 0.71 -0.68 0.00 0.00 175.30 177.34 1gpw s TYR 79 N -2.07 3.78 -0.07 -0.53 1.51 -0.86 -4.51 117.35 114.60 1gpw s TYR 79 Ca 0.36 1.64 0.04 0.00 -1.01 0.00 0.00 57.07 58.10 1gpw s TYR 79 Cb -0.09 -2.93 0.00 0.00 -0.11 0.00 0.00 41.96 38.83 1gpw s TYR 79 CO 0.31 0.26 -0.19 0.08 -1.11 0.00 0.00 175.55 174.90 1gpw s VAL 80 N -0.10 1.63 -0.14 0.71 1.01 -0.70 -0.74 120.40 122.06 1gpw s VAL 80 Ca 0.42 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 1gpw s VAL 80 Cb -0.22 -1.41 0.04 0.00 0.00 0.00 0.00 36.38 34.79 1gpw s VAL 80 CO 0.26 0.46 -0.01 -0.69 0.00 0.00 0.00 175.10 175.12 1gpw s VAL 81 N 0.28 0.72 0.20 2.92 1.01 -0.56 0.33 120.40 125.29 1gpw s VAL 81 Ca -0.12 -0.34 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 1gpw s VAL 81 Cb -0.15 -0.96 -0.08 0.00 0.00 0.00 0.00 36.38 35.20 1gpw s VAL 81 CO 0.05 0.10 0.62 -0.83 0.00 0.00 0.00 175.10 175.04 1gpw s GLY 82 N 1.81 2.46 -0.05 4.51 0.00 -0.66 -1.14 107.32 114.25 1gpw s GLY 82 Ca 0.02 -0.06 0.02 0.00 0.00 0.00 0.00 44.72 44.71 1gpw s GLY 82 CO -0.07 0.21 -0.11 0.14 0.00 0.00 0.00 173.10 173.27 1gpw s VAL 83 N -1.60 1.00 0.00 1.40 1.01 -0.54 -1.23 120.40 120.45 1gpw s VAL 83 Ca 0.43 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1gpw s VAL 83 Cb -0.14 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.33 1gpw s VAL 83 CO 0.20 0.31 0.00 0.00 0.00 0.00 0.00 175.10 175.61 1gpw h LEU 85 N 0.00 0.00 -1.31 0.00 5.85 -1.67 -0.80 115.31 117.38 1gpw h LEU 85 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1gpw h LEU 85 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1gpw h LEU 85 CO 0.00 0.00 0.01 1.23 -0.34 0.00 0.00 178.44 179.34 1gpw h GLY 86 N 0.00 0.51 1.65 3.75 0.00 0.63 -2.72 103.07 106.89 1gpw h GLY 86 Ca 0.10 -0.28 -0.15 0.00 0.00 0.00 0.00 47.33 46.99 1gpw h GLY 86 CO -0.00 0.27 -0.58 1.98 0.00 0.00 0.00 176.54 178.20 1gpw h MET 87 N 0.46 0.36 0.00 4.80 1.85 -1.24 -3.20 114.93 117.95 1gpw h MET 87 Ca 0.10 -0.24 -0.03 0.00 -0.61 0.00 0.00 59.70 58.92 1gpw h MET 87 Cb 0.29 0.03 -0.00 0.00 0.43 0.00 0.00 31.60 32.35 1gpw h MET 87 CO 0.01 0.84 -0.16 1.96 -0.40 0.00 0.00 176.91 179.16 1gpw h GLN 88 N 0.27 0.00 0.00 0.39 4.20 -1.52 -3.05 115.11 115.40 1gpw h GLN 88 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1gpw h GLN 88 Cb 1.10 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.88 1gpw h GLN 88 CO 0.10 0.16 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.31 1gpw h LEU 89 N 0.00 0.00 -1.50 1.46 4.07 -1.52 -3.08 115.31 114.74 1gpw h LEU 89 Ca -0.00 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.92 1gpw h LEU 89 Cb 0.71 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.44 1gpw h LEU 89 CO 0.02 0.04 -0.04 -0.07 -1.08 0.00 0.00 178.44 177.31 1gpw h LEU 90 N 0.00 0.25-10.55 1.67 3.38 -1.63 -0.06 115.31 108.37 1gpw h LEU 90 Ca -0.00 -0.04 -0.47 0.00 0.09 0.00 0.00 57.88 57.47 1gpw h LEU 90 Cb 0.95 -0.06 0.11 0.00 0.09 0.00 0.00 40.66 41.75 1gpw h LEU 90 CO 0.01 0.34 0.36 -0.36 0.09 0.00 0.00 178.44 178.87 1gpw s PHE 91 N -4.91 2.76 0.09 1.13 0.40 -1.17 0.16 117.98 116.44 1gpw s PHE 91 Ca -0.06 0.83 -0.31 0.00 -0.60 0.00 0.00 56.93 56.79 1gpw s PHE 91 Cb 0.16 -3.42 -0.15 0.00 0.51 0.00 0.00 43.02 40.13 1gpw s PHE 91 CO 0.73 -2.03 1.63 0.93 0.70 0.00 0.00 175.22 177.18 1gpw h GLU 92 N -1.25 -0.68 -3.65 0.44 5.08 -1.49 -2.71 114.58 110.32 1gpw h GLU 92 Ca -0.48 0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 57.86 1gpw h GLU 92 Cb 1.33 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 30.64 1gpw h GLU 92 CO 0.64 -0.45 -0.10 -1.83 -1.00 0.00 0.00 179.01 176.27 1gpw s GLU 93 N -6.05 1.61 -0.01 2.33 -1.05 -1.26 0.15 118.70 114.43 1gpw s GLU 93 Ca -0.17 -1.29 0.01 0.00 -0.15 0.00 0.00 54.97 53.37 1gpw s GLU 93 Cb 0.05 0.48 -0.00 0.00 -0.44 0.00 0.00 34.13 34.22 1gpw s GLU 93 CO 0.63 -0.68 -0.04 0.45 0.95 0.00 0.00 175.26 176.58 1gpw s SER 94 N -3.04 0.48 0.63 0.83 0.15 -1.26 -1.65 113.70 109.84 1gpw s SER 94 Ca 0.23 -0.07 0.42 0.00 0.70 0.00 0.00 55.95 57.22 1gpw s SER 94 Cb -0.01 -0.07 2.22 0.00 -1.71 0.00 0.00 66.02 66.45 1gpw s SER 94 CO 0.10 0.04 2.28 -0.08 1.20 0.00 0.00 173.24 176.78 1gpw h GLU 95 N 6.13 0.00 0.00 5.44 4.81 -1.28 -2.03 114.58 127.65 1gpw h GLU 95 Ca -0.28 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 1gpw h GLU 95 Cb 1.19 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1gpw h GLU 95 CO 0.50 0.00 -0.28 1.49 -0.73 0.00 0.00 179.01 179.99 1gpw h GLU 96 N 0.00 0.00 -2.85 1.92 4.81 -1.95 -3.39 114.58 113.12 1gpw h GLU 96 Ca 0.00 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.62 1gpw h GLU 96 Cb 0.06 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.04 1gpw h GLU 96 CO 0.00 0.05 -0.76 0.00 -0.73 0.00 0.00 179.01 177.57 1gpw s ALA 97 N -3.21 2.29 0.03 2.92 0.00 -0.76 -4.84 121.76 118.19 1gpw s ALA 97 Ca 0.05 -2.80 -0.06 0.00 0.00 0.00 0.00 51.96 49.14 1gpw s ALA 97 Cb 0.06 -1.87 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 1gpw s ALA 97 CO 0.70 -2.05 0.57 -0.35 0.00 0.00 0.00 175.76 174.64 1gpw n PRO 98 N 3.06 -0.09 0.05 0.00 -0.04 -1.25 -2.82 135.00 133.91 1gpw n PRO 98 Ca 0.16 0.57 -0.20 0.00 -0.04 0.00 0.00 63.50 63.99 1gpw n PRO 98 Cb 0.38 -0.84 -0.14 0.00 -0.04 0.00 0.00 33.50 32.86 1gpw n PRO 98 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1gpw h GLY 99 N 0.00 0.42 -4.99 0.55 0.00 -1.97 -3.47 103.07 93.61 1gpw h GLY 99 Ca 0.03 -0.96 -0.66 0.00 0.00 0.00 0.00 47.33 45.75 1gpw h GLY 99 CO -0.19 0.84 0.04 -0.62 0.00 0.00 0.00 176.54 176.62 1gpw n VAL 100 N -4.09 1.30 -4.48 4.60 0.31 -1.13 -5.00 118.33 109.84 1gpw n VAL 100 Ca -0.13 -0.33 -0.34 0.00 -0.01 0.00 0.00 64.34 63.54 1gpw n VAL 100 Cb 0.82 -0.61 -0.12 0.00 -0.91 0.00 0.00 33.84 33.02 1gpw n VAL 100 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1gpw s LYS 101 N -0.75 3.52 0.00 5.55 -0.14 -1.26 -4.24 119.74 122.42 1gpw s LYS 101 Ca 0.69 -0.55 0.00 0.00 -1.36 0.00 0.00 55.97 54.76 1gpw s LYS 101 Cb -0.87 -2.83 0.00 0.00 -1.68 0.00 0.00 37.83 32.44 1gpw s LYS 101 CO 0.55 0.29 0.00 0.41 -0.76 0.00 0.00 175.35 175.84 1gpw n GLY 102 N 3.36 -1.20 0.28 -3.33 0.00 0.38 -4.94 105.19 99.74 1gpw n GLY 102 Ca -0.18 -1.59 -0.08 0.00 0.00 0.00 0.00 46.02 44.18 1gpw n GLY 102 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1gpw h LEU 103 N 0.00 0.86 1.49 0.99 3.38 -1.02 -3.46 115.31 117.55 1gpw h LEU 103 Ca 0.00 -0.27 -0.24 0.00 0.09 0.00 0.00 57.88 57.45 1gpw h LEU 103 Cb 0.00 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1gpw h LEU 103 CO 0.00 0.99 -0.32 -1.20 0.09 0.00 0.00 178.44 178.00 1gpw n SER 104 N -4.15 -3.96 0.24 -0.43 7.64 -0.43 -4.89 113.62 107.65 1gpw n SER 104 Ca 0.01 -0.04 0.13 0.00 1.01 0.00 0.00 58.87 59.98 1gpw n SER 104 Cb 0.38 -3.10 0.49 0.00 -1.01 0.00 0.00 64.21 60.97 1gpw n SER 104 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1gpw h LEU 105 N -0.15 0.00 -8.08 -3.43 3.38 0.12 -3.43 115.31 103.72 1gpw h LEU 105 Ca -0.30 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.20 1gpw h LEU 105 Cb 1.22 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.66 1gpw h LEU 105 CO 0.34 0.13 -0.81 -0.63 0.09 0.00 0.00 178.44 177.57 1gpw s ILE 106 N -3.58 1.02 -0.00 1.22 1.01 -0.60 -5.02 121.20 115.24 1gpw s ILE 106 Ca 0.02 -0.50 -0.30 0.00 0.00 0.00 0.00 60.65 59.87 1gpw s ILE 106 Cb 0.09 -0.89 -0.07 0.00 0.01 0.00 0.00 42.46 41.60 1gpw s ILE 106 CO 0.61 0.30 1.75 -1.61 0.00 0.00 0.00 174.94 175.99 1gpw s GLU 107 N 0.10 4.17 0.00 2.79 0.41 -1.26 -3.68 118.70 121.23 1gpw s GLU 107 Ca -0.03 2.35 0.00 0.00 -0.41 0.00 0.00 54.97 56.88 1gpw s GLU 107 Cb -0.09 -3.95 0.00 0.00 -1.78 0.00 0.00 34.13 28.30 1gpw s GLU 107 CO 0.01 -0.86 0.00 0.41 -0.49 0.00 0.00 175.26 174.33 1gpw n GLY 108 N 4.22 0.13 3.50 -1.39 0.00 -1.26 -4.53 105.19 105.86 1gpw n GLY 108 Ca 0.18 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.86 0.49 -0.21 1.61 6.03 -1.00 -2.07 114.94 117.93 1gpw s ASN 109 Ca 0.00 -1.29 -0.03 0.00 -1.03 0.00 0.00 52.86 50.51 1gpw s ASN 109 Cb 0.00 0.61 0.00 0.00 -3.03 0.00 0.00 41.25 38.83 1gpw s ASN 109 CO 0.00 -1.21 -0.08 -0.69 -2.03 0.00 0.00 177.10 173.09 1gpw s VAL 110 N -3.46 3.03 0.25 3.54 1.01 -0.66 -0.42 120.40 123.70 1gpw s VAL 110 Ca 0.28 -0.64 0.11 0.00 0.00 0.00 0.00 61.98 61.73 1gpw s VAL 110 Cb 0.00 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 1gpw s VAL 110 CO 0.16 0.43 -0.12 0.68 0.00 0.00 0.00 175.10 176.25 1gpw s VAL 111 N 1.42 2.93 0.48 2.92 -7.23 -0.76 -0.68 120.40 119.49 1gpw s VAL 111 Ca 0.05 -2.07 -0.21 0.00 -1.81 0.00 0.00 61.98 57.94 1gpw s VAL 111 Cb -0.14 -2.52 -0.08 0.00 0.56 0.00 0.00 36.38 34.20 1gpw s VAL 111 CO -0.06 -0.31 1.09 -0.75 -0.31 0.00 0.00 175.10 174.76 1gpw s LYS 112 N -3.37 3.74 0.50 4.82 2.20 -1.26 -1.29 119.74 125.08 1gpw s LYS 112 Ca 0.29 1.55 -0.22 0.00 -0.36 0.00 0.00 55.97 57.23 1gpw s LYS 112 Cb -0.06 -2.23 -0.06 0.00 -1.51 0.00 0.00 37.83 33.96 1gpw s LYS 112 CO 0.16 -0.51 1.21 -0.51 -0.36 0.00 0.00 175.35 175.33 1gpw s LEU 113 N -3.30 3.92 0.31 5.43 1.43 -0.92 -4.85 118.68 120.70 1gpw s LEU 113 Ca 0.66 2.40 0.16 0.00 -1.03 0.00 0.00 54.13 56.32 1gpw s LEU 113 Cb -0.22 -4.32 0.28 0.00 0.03 0.00 0.00 46.19 41.96 1gpw s LEU 113 CO 0.27 -1.16 1.54 0.03 0.23 0.00 0.00 176.35 177.26 1gpw h ARG 114 N 1.72 0.00 -6.08 1.70 2.47 -1.94 -3.47 114.38 108.77 1gpw h ARG 114 Ca -0.50 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 57.66 1gpw h ARG 114 Cb 1.27 0.00 0.23 0.00 -1.65 0.00 0.00 29.97 29.81 1gpw h ARG 114 CO 0.59 0.48 -1.61 0.45 0.56 0.00 0.00 179.97 180.43 1gpw n SER 115 N -3.33 -5.22 -0.36 7.04 2.88 -1.26 -4.87 113.62 108.49 1gpw n SER 115 Ca 0.01 0.28 0.11 0.00 -1.33 0.00 0.00 58.87 57.94 1gpw n SER 115 Cb 0.66 -0.82 0.04 0.00 -0.75 0.00 0.00 64.21 63.33 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 1.92 0.91 -2.02 -1.46 1.74 -1.26 -3.89 116.66 112.60 1gpw n ARG 116 Ca 0.01 -0.73 -0.33 0.00 -0.77 0.00 0.00 57.85 56.03 1gpw n ARG 116 Cb 0.54 -1.48 0.03 0.00 -1.02 0.00 0.00 32.46 30.53 1gpw n ARG 116 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1gpw n ARG 117 N -0.41 3.07 -0.22 5.56 3.00 -1.26 -4.90 116.66 121.49 1gpw n ARG 117 Ca 0.09 -3.88 0.21 0.00 -0.00 0.00 0.00 57.85 54.26 1gpw n ARG 117 Cb 0.42 -2.27 0.37 0.00 0.00 0.00 0.00 32.46 30.98 1gpw n ARG 117 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1gpw n LEU 118 N -0.60 0.17 -4.56 6.15 7.94 -1.25 -3.89 117.00 120.96 1gpw n LEU 118 Ca 0.49 0.92 -0.33 0.00 -1.11 0.00 0.00 56.01 55.98 1gpw n LEU 118 Cb 0.53 -0.45 -0.04 0.00 0.53 0.00 0.00 43.42 43.99 1gpw n LEU 118 CO 0.48 -1.02 1.45 -2.84 -1.11 0.00 0.00 177.39 174.36 1gpw s PRO 119 N -4.77 2.98 -0.42 1.96 0.02 -1.26 -4.42 135.00 129.08 1gpw s PRO 119 Ca -0.05 -0.78 -0.27 0.00 0.02 0.00 0.00 61.00 59.92 1gpw s PRO 119 Cb 0.19 -5.21 -0.04 0.00 0.02 0.00 0.00 34.50 29.46 1gpw s PRO 119 CO 0.47 -3.00 2.13 -1.58 -0.33 0.00 0.00 177.00 174.70 1gpw s HIS 120 N 8.15 1.36 -0.09 6.54 2.46 -0.22 -4.87 115.29 128.62 1gpw s HIS 120 Ca 0.61 0.99 -0.01 0.00 0.47 0.00 0.00 55.06 57.12 1gpw s HIS 120 Cb -0.03 -3.87 0.03 0.00 -0.13 0.00 0.00 32.58 28.57 1gpw s HIS 120 CO -0.01 -2.92 -0.03 1.41 -2.47 0.00 0.00 174.74 170.72 1gpw s MET 121 N 7.08 0.98 0.00 2.88 0.00 -1.26 -1.46 119.30 127.52 1gpw s MET 121 Ca 0.88 -0.04 0.00 0.00 0.00 0.00 0.00 55.69 56.54 1gpw s MET 121 Cb -0.21 -1.22 0.00 0.00 0.00 0.00 0.00 34.83 33.40 1gpw s MET 121 CO 0.28 -0.29 0.00 0.41 0.00 0.00 0.00 175.02 175.42 1gpw n GLY 122 N 5.07 0.08 3.59 2.11 0.00 -0.49 -4.97 105.19 110.57 1gpw n GLY 122 Ca -0.09 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.88 3.20 0.45 1.61 0.52 -1.26 -0.02 118.94 121.57 1gpw s TRP 123 Ca 0.00 0.49 0.04 0.00 0.02 0.00 0.00 56.10 56.65 1gpw s TRP 123 Cb 0.00 -2.97 -0.05 0.00 -1.15 0.00 0.00 33.47 29.30 1gpw s TRP 123 CO 0.00 -0.49 0.01 1.21 0.02 0.00 0.00 176.95 177.71 1gpw s ASN 124 N 1.67 3.92 -0.02 2.95 3.84 -0.80 -4.88 114.94 121.62 1gpw s ASN 124 Ca 0.24 -1.51 -0.01 0.00 0.21 0.00 0.00 52.86 51.79 1gpw s ASN 124 Cb -0.15 0.06 -0.04 0.00 -0.55 0.00 0.00 41.25 40.57 1gpw s ASN 124 CO 0.12 -0.65 0.06 -0.70 -2.79 0.00 0.00 177.10 173.14 1gpw s GLU 125 N -3.79 3.04 0.15 0.43 2.12 -1.26 -0.93 118.70 118.45 1gpw s GLU 125 Ca 0.21 -0.46 0.11 0.00 0.36 0.00 0.00 54.97 55.19 1gpw s GLU 125 Cb 0.06 -2.85 -0.04 0.00 0.26 0.00 0.00 34.13 31.56 1gpw s GLU 125 CO 0.11 0.66 -0.24 0.08 -0.54 0.00 0.00 175.26 175.33 1gpw s VAL 126 N -1.12 2.40 -0.26 3.70 1.01 -0.28 -4.23 120.40 121.62 1gpw s VAL 126 Ca 0.20 -1.79 -0.03 0.00 0.00 0.00 0.00 61.98 60.37 1gpw s VAL 126 Cb -0.12 -2.10 0.08 0.00 0.00 0.00 0.00 36.38 34.25 1gpw s VAL 126 CO 0.11 0.03 0.09 -0.63 0.00 0.00 0.00 175.10 174.70 1gpw s ILE 127 N -1.26 0.44 0.22 2.22 1.01 -0.91 -3.37 121.20 119.55 1gpw s ILE 127 Ca 0.17 -0.88 -0.24 0.00 0.00 0.00 0.00 60.65 59.70 1gpw s ILE 127 Cb -0.09 -1.21 -0.08 0.00 0.01 0.00 0.00 42.46 41.08 1gpw s ILE 127 CO 0.08 -0.52 0.80 -0.36 0.00 0.00 0.00 174.94 174.94 1gpw s PHE 128 N 1.86 3.78 0.22 3.97 0.40 -1.26 -1.95 117.98 125.00 1gpw s PHE 128 Ca 0.06 1.59 -0.07 0.00 -0.60 0.00 0.00 56.93 57.90 1gpw s PHE 128 Cb -0.17 -2.75 0.31 0.00 0.51 0.00 0.00 43.02 40.92 1gpw s PHE 128 CO -0.22 0.39 1.79 0.87 0.70 0.00 0.00 175.22 178.75 1gpw h LYS 129 N 3.76 0.64 0.00 0.44 1.57 -0.96 -3.47 116.57 118.55 1gpw h LYS 129 Ca -0.47 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1gpw h LYS 129 Cb 1.20 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1gpw h LYS 129 CO 0.66 0.42 0.00 -0.40 -0.57 0.00 0.00 179.45 179.56 1gpw n ASP 130 N -4.82 0.00 0.00 0.86 5.75 -1.26 -5.07 116.55 112.01 1gpw n ASP 130 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 1gpw n ASP 130 Cb 0.23 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 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 0.00 0.00 -1.41 2.12 -1.04 -1.26 -4.74 114.28 107.95 1gpw n THR 131 Ca 0.00 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.71 1gpw n THR 131 Cb 0.00 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 68.62 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 2.64 0.13 -1.42 0.40 -1.26 -5.04 117.98 113.42 1gpw s PHE 132 Ca 0.00 1.23 -0.20 0.00 -0.60 0.00 0.00 56.93 57.36 1gpw s PHE 132 Cb 0.00 -3.12 -0.07 0.00 0.51 0.00 0.00 43.02 40.34 1gpw s PHE 132 CO 0.00 -1.98 0.63 -1.25 0.70 0.00 0.00 175.22 173.32 1gpw s PRO 133 N -5.05 4.24 0.27 0.24 0.04 -1.26 -4.77 135.00 128.70 1gpw s PRO 133 Ca 0.62 0.79 -0.18 0.00 0.04 0.00 0.00 61.00 62.27 1gpw s PRO 133 Cb -0.16 -3.13 -0.09 0.00 0.04 0.00 0.00 34.50 31.16 1gpw s PRO 133 CO 0.55 0.56 0.74 -0.80 0.04 0.00 0.00 177.00 178.09 1gpw s ASN 134 N -1.31 6.94 0.00 6.66 -0.87 -1.26 -4.88 114.94 120.23 1gpw s ASN 134 Ca 0.34 1.37 0.00 0.00 -1.57 0.00 0.00 52.86 53.00 1gpw s ASN 134 Cb -0.19 -2.40 0.00 0.00 -0.02 0.00 0.00 41.25 38.64 1gpw s ASN 134 CO 0.21 -0.08 0.00 0.61 -2.57 0.00 0.00 177.10 175.27 1gpw n GLY 135 N 0.23 -1.01 3.78 0.66 0.00 -1.22 -5.01 105.19 102.62 1gpw n GLY 135 Ca 0.00 -1.28 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.92 3.66 0.10 1.61 1.51 -1.25 -1.13 117.35 118.93 1gpw s TYR 136 Ca 0.00 1.05 0.06 0.00 -1.01 0.00 0.00 57.07 57.17 1gpw s TYR 136 Cb 0.00 -2.48 -0.03 0.00 -0.11 0.00 0.00 41.96 39.33 1gpw s TYR 136 CO 0.00 0.41 -0.16 0.71 -1.11 0.00 0.00 175.55 175.40 1gpw s TYR 137 N -0.31 1.42 -0.06 2.71 1.51 -0.11 -4.88 117.35 117.63 1gpw s TYR 137 Ca 0.27 -0.49 -0.30 0.00 -1.01 0.00 0.00 57.07 55.55 1gpw s TYR 137 Cb -0.17 -0.77 -0.02 0.00 -0.11 0.00 0.00 41.96 40.89 1gpw s TYR 137 CO 0.14 0.13 1.05 -0.47 -1.11 0.00 0.00 175.55 175.29 1gpw s TYR 138 N -1.59 3.48 0.09 2.71 5.04 -1.26 -1.90 117.35 123.92 1gpw s TYR 138 Ca 0.04 1.53 0.07 0.00 -2.44 0.00 0.00 57.07 56.28 1gpw s TYR 138 Cb -0.08 -3.23 -0.04 0.00 0.35 0.00 0.00 41.96 38.96 1gpw s TYR 138 CO 0.03 -0.44 -0.14 -0.06 -1.34 0.00 0.00 175.55 173.61 1gpw s PHE 139 N 1.78 2.66 -0.39 4.97 0.40 0.97 -0.88 117.98 127.50 1gpw s PHE 139 Ca 0.51 -0.20 0.07 0.00 -0.60 0.00 0.00 56.93 56.71 1gpw s PHE 139 Cb -0.21 -1.43 0.18 0.00 0.51 0.00 0.00 43.02 42.07 1gpw s PHE 139 CO 0.21 0.38 0.57 0.08 0.70 0.00 0.00 175.22 177.16 1gpw s VAL 140 N -1.12 -0.87 0.10 -0.44 1.01 -1.16 -1.40 120.40 116.52 1gpw s VAL 140 Ca 0.19 -0.18 -0.25 0.00 0.00 0.00 0.00 61.98 61.73 1gpw s VAL 140 Cb -0.11 -0.26 0.08 0.00 0.00 0.00 0.00 36.38 36.09 1gpw s VAL 140 CO 0.10 -0.11 0.69 -1.38 0.00 0.00 0.00 175.10 174.41 1gpw s HIS 141 N 1.91 -0.48 -0.02 5.22 -3.43 -0.54 -4.99 115.29 112.97 1gpw s HIS 141 Ca 0.15 0.30 0.06 0.00 -0.80 0.00 0.00 55.06 54.78 1gpw s HIS 141 Cb -0.07 0.55 -0.09 0.00 -1.43 0.00 0.00 32.58 31.54 1gpw s HIS 141 CO -0.09 -0.75 0.11 2.41 -2.00 0.00 0.00 174.74 174.42 1gpw n THR 142 N -0.32 0.09 -4.34 -5.38 -1.04 -1.26 -1.05 114.28 100.98 1gpw n THR 142 Ca -0.14 -0.17 -0.25 0.00 -2.04 0.00 0.00 64.05 61.44 1gpw n THR 142 Cb 0.64 0.08 -0.09 0.00 -1.82 0.00 0.00 70.33 69.14 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 -2.38 2.56 0.22 -1.42 1.51 -1.26 -2.15 117.35 114.42 1gpw s TYR 143 Ca -0.02 -0.54 -0.06 0.00 -1.01 0.00 0.00 57.07 55.43 1gpw s TYR 143 Cb 0.04 -1.71 -0.02 0.00 -0.11 0.00 0.00 41.96 40.15 1gpw s TYR 143 CO 0.26 0.38 0.28 -0.98 -1.11 0.00 0.00 175.55 174.38 1gpw s ARG 144 N -3.77 1.36 0.18 -0.62 1.70 -0.41 -4.85 118.95 112.53 1gpw s ARG 144 Ca 0.37 -1.47 -0.03 0.00 -0.47 0.00 0.00 55.73 54.13 1gpw s ARG 144 Cb 0.04 0.36 -0.05 0.00 -0.57 0.00 0.00 34.95 34.72 1gpw s ARG 144 CO 0.20 -0.50 0.39 0.00 -1.08 0.00 0.00 175.30 174.31 1gpw s ALA 145 N -4.09 3.80 -0.15 7.88 0.00 -1.26 -1.83 121.76 126.10 1gpw s ALA 145 Ca 0.32 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1gpw s ALA 145 Cb 0.04 -2.08 0.02 0.00 0.00 0.00 0.00 23.12 21.10 1gpw s ALA 145 CO 0.11 0.53 -0.14 0.08 0.00 0.00 0.00 175.76 176.34 1gpw s VAL 146 N -1.79 1.60 0.16 0.00 1.01 0.44 -4.44 120.40 117.39 1gpw s VAL 146 Ca 0.40 -0.67 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 1gpw s VAL 146 Cb -0.12 -1.51 0.07 0.00 0.00 0.00 0.00 36.38 34.82 1gpw s VAL 146 CO 0.27 0.44 0.64 0.00 0.00 0.00 0.00 175.10 176.45 1gpw s GLU 148 N -3.72 4.12 0.32 0.00 0.41 -1.26 -4.79 118.70 113.78 1gpw s GLU 148 Ca 0.02 2.60 0.03 0.00 -0.41 0.00 0.00 54.97 57.21 1gpw s GLU 148 Cb -0.01 -3.05 0.18 0.00 -1.78 0.00 0.00 34.13 29.46 1gpw s GLU 148 CO -0.11 -0.71 0.88 -1.91 -0.49 0.00 0.00 175.26 172.93 1gpw n GLU 149 N 3.28 0.03 0.21 1.61 0.00 -1.26 0.73 120.64 125.25 1gpw n GLU 149 Ca 0.13 0.49 0.08 0.00 0.00 0.00 0.00 57.16 57.85 1gpw n GLU 149 Cb 0.36 -2.23 0.46 0.00 0.00 0.00 0.00 31.44 30.03 1gpw n GLU 149 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1gpw h GLU 150 N 0.00 0.00 -0.00 5.31 4.81 -1.97 -3.07 114.58 119.65 1gpw h GLU 150 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1gpw h GLU 150 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1gpw h GLU 150 CO 0.00 0.29 -0.79 0.72 -0.73 0.00 0.00 179.01 178.50 1gpw n HIS 151 N -3.61 0.00 -2.31 0.92 8.25 0.22 -4.93 115.22 113.76 1gpw n HIS 151 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 1gpw n HIS 151 Cb 0.41 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.49 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 -2.69 3.28 0.00 1.59 1.01 -1.16 -0.80 120.40 121.62 1gpw s VAL 152 Ca 0.10 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.25 1gpw s VAL 152 Cb 0.15 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1gpw s VAL 152 CO 0.72 0.23 0.00 -0.11 0.00 0.00 0.00 175.10 175.95 1gpw n LEU 153 N 1.77 0.77 -3.94 3.92 7.94 -0.52 -4.79 117.00 122.16 1gpw n LEU 153 Ca 0.02 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.82 1gpw n LEU 153 Cb 0.44 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.28 1gpw n LEU 153 CO 0.56 0.13 -0.30 -0.83 -1.11 0.00 0.00 177.39 175.84 1gpw s GLY 154 N -3.12 0.16 -0.01 -3.96 0.00 -0.85 -0.26 107.32 99.28 1gpw s GLY 154 Ca 0.00 -0.41 0.05 0.00 0.00 0.00 0.00 44.72 44.36 1gpw s GLY 154 CO 0.00 -0.50 -0.17 -1.59 0.00 0.00 0.00 173.10 170.84 1gpw s THR 155 N -1.36 1.37 0.05 0.90 2.01 -0.82 -0.99 115.64 116.80 1gpw s THR 155 Ca -0.15 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.12 1gpw s THR 155 Cb -0.09 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 1gpw s THR 155 CO -0.00 0.39 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.37 1gpw s THR 156 N -0.40 0.45 -0.11 -0.82 2.01 -1.05 -2.14 115.64 113.57 1gpw s THR 156 Ca 0.06 -1.33 0.01 0.00 0.31 0.00 0.00 61.69 60.74 1gpw s THR 156 Cb -0.07 -0.89 0.02 0.00 0.01 0.00 0.00 72.50 71.57 1gpw s THR 156 CO -0.01 -0.59 -0.12 -1.83 -0.69 0.00 0.00 174.62 171.38 1gpw s GLU 157 N -2.35 1.92 -0.10 4.92 4.04 -1.25 -2.36 118.70 123.50 1gpw s GLU 157 Ca -0.04 -0.43 0.01 0.00 0.04 0.00 0.00 54.97 54.55 1gpw s GLU 157 Cb -0.04 -1.77 0.02 0.00 0.02 0.00 0.00 34.13 32.35 1gpw s GLU 157 CO -0.02 -0.17 -0.13 -0.47 -1.84 0.00 0.00 175.26 172.63 1gpw s TYR 158 N 1.34 1.75 -1.13 4.83 5.04 -0.09 -4.80 117.35 124.28 1gpw s TYR 158 Ca -0.00 -0.81 -0.20 0.00 -2.44 0.00 0.00 57.07 53.62 1gpw s TYR 158 Cb -0.14 -1.30 -0.01 0.00 0.35 0.00 0.00 41.96 40.86 1gpw s TYR 158 CO -0.06 -0.44 0.80 -3.47 -1.34 0.00 0.00 175.55 171.04 1gpw n ASP 159 N 4.28 -5.42 0.00 4.32 4.64 -1.26 -0.90 116.55 122.22 1gpw n ASP 159 Ca -0.19 -1.00 0.00 0.00 -1.38 0.00 0.00 54.79 52.22 1gpw n ASP 159 Cb 0.51 -3.48 0.00 0.00 -1.04 0.00 0.00 41.12 37.11 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 -1.66 0.61 3.87 0.27 0.00 -1.26 -4.79 105.19 102.23 1gpw n GLY 160 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.14 3.82 -0.04 1.61 2.12 -0.07 -5.08 118.70 120.91 1gpw s GLU 161 Ca 0.00 0.32 0.04 0.00 0.36 0.00 0.00 54.97 55.70 1gpw s GLU 161 Cb 0.00 -2.60 -0.00 0.00 0.26 0.00 0.00 34.13 31.79 1gpw s GLU 161 CO 0.00 0.26 -0.16 0.42 -0.54 0.00 0.00 175.26 175.25 1gpw s ILE 162 N -1.89 1.33 0.18 -3.70 1.01 -1.26 -0.92 121.20 115.94 1gpw s ILE 162 Ca 0.48 -0.67 -0.18 0.00 0.00 0.00 0.00 60.65 60.29 1gpw s ILE 162 Cb -0.11 -1.14 0.04 0.00 0.01 0.00 0.00 42.46 41.25 1gpw s ILE 162 CO 0.22 0.39 0.51 0.72 0.00 0.00 0.00 174.94 176.78 1gpw s PHE 163 N 0.02 -0.20 -0.51 3.97 -0.12 -1.00 -5.03 117.98 115.12 1gpw s PHE 163 Ca -0.03 -0.12 -0.28 0.00 -0.05 0.00 0.00 56.93 56.46 1gpw s PHE 163 Cb -0.11 0.39 -0.00 0.00 -0.63 0.00 0.00 43.02 42.67 1gpw s PHE 163 CO 0.02 -0.87 1.62 -1.25 -0.05 0.00 0.00 175.22 174.69 1gpw s PRO 164 N -3.84 3.15 0.00 1.99 0.04 -1.26 -2.52 135.00 132.56 1gpw s PRO 164 Ca 0.07 0.76 0.26 0.00 0.04 0.00 0.00 61.00 62.12 1gpw s PRO 164 Cb -0.00 -4.20 1.23 0.00 0.04 0.00 0.00 34.50 31.57 1gpw s PRO 164 CO -0.06 -2.10 1.83 -1.13 0.04 0.00 0.00 177.00 175.58 1gpw n SER 165 N 10.51 0.85 -3.66 6.66 3.41 -0.16 -4.63 113.62 126.59 1gpw n SER 165 Ca 0.17 -1.39 -0.14 0.00 -0.26 0.00 0.00 58.87 57.25 1gpw n SER 165 Cb 0.49 -0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 64.34 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 -1.95 -1.40 0.20 7.33 0.00 -1.12 -2.10 121.76 122.72 1gpw s ALA 166 Ca 0.38 1.43 0.02 0.00 0.00 0.00 0.00 51.96 53.78 1gpw s ALA 166 Cb 0.19 -0.69 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 1gpw s ALA 166 CO 0.31 -0.28 0.03 0.08 0.00 0.00 0.00 175.76 175.89 1gpw s VAL 167 N -0.09 0.65 -0.29 0.00 1.01 -0.66 -1.43 120.40 119.60 1gpw s VAL 167 Ca -0.03 -1.99 -0.19 0.00 0.00 0.00 0.00 61.98 59.77 1gpw s VAL 167 Cb -0.03 -2.28 0.13 0.00 0.00 0.00 0.00 36.38 34.20 1gpw s VAL 167 CO 0.03 -0.33 0.98 -0.60 0.00 0.00 0.00 175.10 175.17 1gpw s ARG 168 N -3.95 0.44 -0.35 2.72 3.52 0.02 -2.09 118.95 119.26 1gpw s ARG 168 Ca 0.28 0.67 0.00 0.00 -0.13 0.00 0.00 55.73 56.56 1gpw s ARG 168 Cb 0.07 0.14 0.14 0.00 -1.56 0.00 0.00 34.95 33.73 1gpw s ARG 168 CO 0.07 -0.08 0.24 0.21 -0.81 0.00 0.00 175.30 174.93 1gpw s LYS 169 N 0.96 0.54 6.66 5.12 2.20 0.37 -4.47 119.74 131.13 1gpw s LYS 169 Ca -0.05 -1.18 0.00 0.00 -0.36 0.00 0.00 55.97 54.38 1gpw s LYS 169 Cb -0.04 -1.17 0.00 0.00 -1.51 0.00 0.00 37.83 35.11 1gpw s LYS 169 CO -0.12 -1.20 0.00 0.41 -0.36 0.00 0.00 175.35 174.08 1gpw n GLY 170 N 4.15 1.91 1.38 5.54 0.00 -1.26 -2.32 105.19 114.60 1gpw n GLY 170 Ca 0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 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 4.05 2.78 -3.80 1.61 1.74 -1.26 -4.88 116.66 116.90 1gpw n ARG 171 Ca 0.00 -3.03 -0.36 0.00 -0.77 0.00 0.00 57.85 53.68 1gpw n ARG 171 Cb 0.00 -1.97 -0.13 0.00 -1.02 0.00 0.00 32.46 29.34 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 -3.04 3.97 0.34 0.55 1.01 -0.98 -1.73 121.20 121.32 1gpw s ILE 172 Ca 0.48 -0.39 0.09 0.00 0.00 0.00 0.00 60.65 60.83 1gpw s ILE 172 Cb 0.40 -2.89 -0.06 0.00 0.01 0.00 0.00 42.46 39.92 1gpw s ILE 172 CO 0.08 0.30 -0.02 -0.76 0.00 0.00 0.00 174.94 174.53 1gpw s LEU 173 N 1.55 2.91 -0.16 2.97 1.43 0.15 -0.48 118.68 127.05 1gpw s LEU 173 Ca 0.05 -1.04 -0.22 0.00 -1.03 0.00 0.00 54.13 51.90 1gpw s LEU 173 Cb -0.15 -1.26 0.06 0.00 0.03 0.00 0.00 46.19 44.86 1gpw s LEU 173 CO 0.01 -0.21 0.57 -0.83 0.23 0.00 0.00 176.35 176.12 1gpw s GLY 174 N -3.68 -0.43 -0.02 -3.19 0.00 -0.89 -1.65 107.32 97.46 1gpw s GLY 174 Ca 0.34 1.42 -0.00 0.00 0.00 0.00 0.00 44.72 46.47 1gpw s GLY 174 CO 0.18 1.17 0.03 -1.36 0.00 0.00 0.00 173.10 173.12 1gpw s PHE 175 N -0.19 0.09 0.14 1.90 0.40 -0.36 -1.65 117.98 118.31 1gpw s PHE 175 Ca -0.04 0.12 0.07 0.00 -0.60 0.00 0.00 56.93 56.48 1gpw s PHE 175 Cb -0.03 -0.30 -0.13 0.00 0.51 0.00 0.00 43.02 43.07 1gpw s PHE 175 CO 0.03 -0.11 1.32 0.37 0.70 0.00 0.00 175.22 177.54 1gpw h GLN 176 N 7.40 0.01 -7.42 0.44 5.75 -1.72 -1.61 115.11 117.95 1gpw h GLN 176 Ca -0.42 -0.01 -0.46 0.00 -0.15 0.00 0.00 58.65 57.61 1gpw h GLN 176 Cb 1.12 0.00 0.11 0.00 1.07 0.00 0.00 27.48 29.78 1gpw h GLN 176 CO 0.45 0.95 0.26 -0.59 -2.65 0.00 0.00 178.83 177.25 1gpw s PHE 177 N -2.84 2.07 -0.68 3.99 -0.71 -1.26 -3.77 117.98 114.77 1gpw s PHE 177 Ca 0.01 0.18 -0.15 0.00 -1.04 0.00 0.00 56.93 55.93 1gpw s PHE 177 Cb 0.10 -3.45 0.17 0.00 -1.21 0.00 0.00 43.02 38.64 1gpw s PHE 177 CO 0.81 -1.92 0.64 -1.01 -1.34 0.00 0.00 175.22 172.40 1gpw s HIS 178 N -3.43 3.50 0.49 3.49 3.76 -0.06 -4.04 115.29 119.00 1gpw s HIS 178 Ca 0.67 -1.63 0.30 0.00 -0.15 0.00 0.00 55.06 54.25 1gpw s HIS 178 Cb -0.07 -3.82 1.68 0.00 1.11 0.00 0.00 32.58 31.49 1gpw s HIS 178 CO 0.47 -1.01 2.17 -1.00 -0.85 0.00 0.00 174.74 174.52 1gpw h PRO 179 N 8.35 0.00 0.00 8.40 0.13 -1.91 -1.77 132.00 145.20 1gpw h PRO 179 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1gpw h PRO 179 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1gpw h PRO 179 CO 0.90 0.06 0.00 0.93 -0.23 0.00 0.00 178.00 179.66 1gpw h GLU 180 N 0.00 0.00 -0.35 0.86 3.07 -1.90 -2.41 114.58 113.84 1gpw h GLU 180 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1gpw h GLU 180 Cb 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1gpw h GLU 180 CO 0.01 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.25 1gpw n LYS 181 N -2.94 2.99 -2.04 2.33 4.76 -0.68 -4.71 118.16 117.88 1gpw n LYS 181 Ca 0.01 -2.43 -0.31 0.00 -2.87 0.00 0.00 58.31 52.70 1gpw n LYS 181 Cb 0.27 -1.55 0.03 0.00 -1.84 0.00 0.00 35.03 31.94 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 0.23 6.02 0.00 4.39 7.64 -0.91 -4.53 113.62 126.45 1gpw n SER 182 Ca 0.17 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.28 1gpw n SER 182 Cb 0.65 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 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 -0.62 0.00 -0.06 6.43 2.88 -1.26 -0.49 113.62 120.51 1gpw n SER 183 Ca 0.48 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.98 1gpw n SER 183 Cb 0.61 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.26 1gpw n SER 183 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1gpw h LYS 184 N 0.00 0.67 -0.12 -1.46 2.10 -1.98 -2.15 116.57 113.62 1gpw h LYS 184 Ca 0.00 -0.20 -0.03 0.00 -2.00 0.00 0.00 60.65 58.42 1gpw h LYS 184 Cb 0.00 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.25 1gpw h LYS 184 CO 0.00 0.74 -0.07 0.97 -2.00 0.00 0.00 179.45 179.09 1gpw h ILE 185 N 0.61 1.13 -0.28 0.07 -0.00 -1.92 0.01 117.51 117.13 1gpw h ILE 185 Ca 0.11 -0.53 -0.15 0.00 -0.00 0.00 0.00 64.86 64.30 1gpw h ILE 185 Cb 0.51 1.11 -0.00 0.00 -0.00 0.00 0.00 36.82 38.43 1gpw h ILE 185 CO 0.03 0.17 -0.40 1.23 -0.00 0.00 0.00 178.15 179.17 1gpw h GLY 186 N 0.54 0.84 0.97 8.18 0.00 -0.14 -1.99 103.07 111.47 1gpw h GLY 186 Ca 0.04 -0.93 -0.00 0.00 0.00 0.00 0.00 47.33 46.44 1gpw h GLY 186 CO 0.01 0.84 0.17 -0.09 0.00 0.00 0.00 176.54 177.46 1gpw h ARG 187 N 0.52 0.37 0.00 4.80 2.43 -1.00 -1.19 114.38 120.32 1gpw h ARG 187 Ca 0.03 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1gpw h ARG 187 Cb 1.00 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1gpw h ARG 187 CO 0.09 0.29 -0.03 -0.22 -1.51 0.00 0.00 179.97 178.60 1gpw h LYS 188 N 0.35 0.00 0.04 0.20 3.64 -0.96 0.65 116.57 120.49 1gpw h LYS 188 Ca 0.10 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1gpw h LYS 188 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1gpw h LYS 188 CO -0.02 0.03 -0.02 1.25 -2.27 0.00 0.00 179.45 178.42 1gpw h LEU 189 N 0.00 -0.05 -2.19 5.20 7.12 -0.49 -2.25 115.31 122.65 1gpw h LEU 189 Ca -0.00 -0.63 -0.01 0.00 0.13 0.00 0.00 57.88 57.37 1gpw h LEU 189 Cb 0.20 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.35 1gpw h LEU 189 CO 0.00 0.66 -0.06 -0.07 -0.13 0.00 0.00 178.44 178.85 1gpw h LEU 190 N -0.83 0.00 0.11 2.25 3.38 -0.67 -0.81 115.31 118.75 1gpw h LEU 190 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1gpw h LEU 190 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1gpw h LEU 190 CO 0.01 0.06 -0.05 -0.33 0.09 0.00 0.00 178.44 178.22 1gpw h GLU 191 N 0.00 -0.14 0.00 1.13 5.08 -0.88 -1.99 114.58 117.78 1gpw h GLU 191 Ca -0.00 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1gpw h GLU 191 Cb 0.16 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1gpw h GLU 191 CO 0.01 0.30 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.06 1gpw h LYS 192 N -0.64 0.00 -0.09 2.33 3.11 -0.85 0.13 116.57 120.56 1gpw h LYS 192 Ca -0.01 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.68 1gpw h LYS 192 Cb 0.50 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.74 1gpw h LYS 192 CO 0.02 0.04 -0.50 0.28 -2.81 0.00 0.00 179.45 176.49 1gpw h VAL 193 N 0.00 1.38 -0.42 2.00 2.07 -1.05 -2.49 116.25 117.74 1gpw h VAL 193 Ca -0.00 -1.84 -0.03 0.00 0.82 0.00 0.00 66.70 65.65 1gpw h VAL 193 Cb 0.27 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 1gpw h VAL 193 CO 0.01 0.55 0.15 0.40 0.02 0.00 0.00 177.57 178.70 1gpw h ILE 194 N 0.08 1.21 -0.65 4.57 2.04 -0.39 -2.70 117.51 121.66 1gpw h ILE 194 Ca -0.04 -0.66 0.06 0.00 1.00 0.00 0.00 64.86 65.23 1gpw h ILE 194 Cb 1.15 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 1gpw h ILE 194 CO 0.10 0.24 0.43 -0.33 0.00 0.00 0.00 178.15 178.59 1gpw h GLU 195 N 0.54 0.64 -0.26 2.37 5.08 -0.84 -2.51 114.58 119.60 1gpw h GLU 195 Ca 0.14 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1gpw h GLU 195 Cb 0.22 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1gpw h GLU 195 CO -0.01 0.42 -0.09 0.00 -1.00 0.00 0.00 179.01 178.33 1gpw n SER 197 N -4.50 0.00 0.07 0.00 3.41 -0.96 -1.51 113.62 110.13 1gpw n SER 197 Ca -0.04 -0.86 0.03 0.00 -0.26 0.00 0.00 58.87 57.74 1gpw n SER 197 Cb 0.33 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.24 1gpw n SER 197 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1gpw h LEU 198 N 0.00 0.00 0.00 1.04 3.38 -1.36 -3.46 115.31 114.91 1gpw h LEU 198 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1gpw h LEU 198 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1gpw h LEU 198 CO 0.00 0.45 0.00 -1.54 0.09 0.00 0.00 178.44 177.44 1gpw n SER 199 N -2.92 0.00 -4.67 -0.43 3.41 -0.57 -4.82 113.62 103.62 1gpw n SER 199 Ca -0.06 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.13 1gpw n SER 199 Cb 0.76 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.69 1gpw n SER 199 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1gpw s ARG 200 N 0.00 4.25 0.00 4.33 3.00 -1.26 -5.13 118.95 124.14 1gpw s ARG 200 Ca 0.00 1.81 0.00 0.00 -1.00 0.00 0.00 55.73 56.54 1gpw s ARG 200 Cb 0.00 -3.74 0.00 0.00 0.00 0.00 0.00 34.95 31.21 1gpw s ARG 200 CO 0.00 -0.67 0.00 -2.13 0.00 0.00 0.00 175.30 172.50