#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gpy h LYS 9 N 0.00 0.00 -0.16 1.96 5.09 -2.05 -0.46 116.57 120.95 2gpy h LYS 9 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 60.65 60.56 2gpy h LYS 9 Cb 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.33 2gpy h LYS 9 CO 0.00 0.17 -0.65 1.25 -2.09 0.00 0.00 179.45 178.13 2gpy h HIS 10 N 0.00 0.78 -0.32 0.07 2.76 -2.06 -2.26 115.15 114.12 2gpy h HIS 10 Ca -0.00 -0.31 -0.05 0.00 -2.20 0.00 0.00 60.37 57.81 2gpy h HIS 10 Cb 0.65 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 2gpy h HIS 10 CO 0.00 1.08 0.01 -0.92 -1.30 0.00 0.00 177.93 176.81 2gpy h TYR 11 N 0.44 0.60 -0.38 5.26 5.03 -1.77 -3.00 116.97 123.14 2gpy h TYR 11 Ca -0.02 -0.10 -0.03 0.00 2.58 0.00 0.00 58.73 61.17 2gpy h TYR 11 Cb 1.23 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 39.33 2gpy h TYR 11 CO 0.06 0.67 0.12 -0.07 -1.32 0.00 0.00 178.16 177.61 2gpy h LEU 12 N 0.36 0.50 -1.58 2.82 3.38 -1.16 -2.61 115.31 117.02 2gpy h LEU 12 Ca 0.09 -0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.15 2gpy h LEU 12 Cb 0.42 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2gpy h LEU 12 CO 0.01 0.49 0.50 -0.33 0.09 0.00 0.00 178.44 179.20 2gpy h GLU 13 N 0.54 0.40 -0.10 1.13 5.08 -1.26 -2.77 114.58 117.60 2gpy h GLU 13 Ca 0.13 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2gpy h GLU 13 Cb 0.17 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2gpy h GLU 13 CO -0.01 0.27 0.00 1.63 -1.00 0.00 0.00 179.01 179.90 2gpy n LYS 14 N -4.48 2.36 -1.77 2.33 4.76 -0.99 -4.84 118.16 115.53 2gpy n LYS 14 Ca 0.14 -2.00 -0.39 0.00 -2.87 0.00 0.00 58.31 53.19 2gpy n LYS 14 Cb 0.52 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 32.20 2gpy n LYS 14 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 2gpy n GLN 15 N 1.37 2.17 -3.63 1.97 7.27 -1.05 -4.85 117.38 120.64 2gpy n GLN 15 Ca 0.15 -2.44 -0.17 0.00 0.07 0.00 0.00 57.00 54.60 2gpy n GLN 15 Cb 0.60 -3.31 -0.15 0.00 2.41 0.00 0.00 30.24 29.80 2gpy n GLN 15 CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 2gpy s ILE 16 N 5.82 -0.28 0.34 1.69 -4.36 -1.26 -5.00 121.20 118.16 2gpy s ILE 16 Ca 0.57 0.21 -0.13 0.00 -0.26 0.00 0.00 60.65 61.04 2gpy s ILE 16 Cb 0.09 -0.41 -0.08 0.00 1.25 0.00 0.00 42.46 43.31 2gpy s ILE 16 CO 0.07 0.04 0.73 -2.16 0.24 0.00 0.00 174.94 173.86 2gpy s PRO 17 N 2.30 3.93 0.40 0.37 0.04 -1.26 -5.06 135.00 135.72 2gpy s PRO 17 Ca 0.04 0.59 -0.27 0.00 0.04 0.00 0.00 61.00 61.40 2gpy s PRO 17 Cb -0.13 -2.43 -0.10 0.00 0.04 0.00 0.00 34.50 31.87 2gpy s PRO 17 CO -0.08 0.12 1.40 0.00 0.04 0.00 0.00 177.00 178.48 2gpy n ALA 18 N -0.60 1.92 -2.16 8.56 0.00 -1.26 -5.03 120.51 121.94 2gpy n ALA 18 Ca 0.03 0.31 -0.21 0.00 0.00 0.00 0.00 53.44 53.56 2gpy n ALA 18 Cb 0.53 -2.36 0.02 0.00 0.00 0.00 0.00 19.45 17.64 2gpy n ALA 18 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2gpy s ARG 19 N -2.18 2.83 0.31 0.00 3.00 -1.26 -5.05 118.95 116.60 2gpy s ARG 19 Ca 0.57 -0.73 -0.28 0.00 0.00 0.00 0.00 55.73 55.29 2gpy s ARG 19 Cb -0.49 -2.57 -0.13 0.00 0.00 0.00 0.00 34.95 31.75 2gpy s ARG 19 CO 0.61 -0.43 1.08 -3.47 0.00 0.00 0.00 175.30 173.09 2gpy n ASP 20 N -2.13 1.65 -0.27 0.23 2.03 -1.26 -4.74 116.55 112.07 2gpy n ASP 20 Ca 0.05 1.18 0.23 0.00 0.52 0.00 0.00 54.79 56.76 2gpy n ASP 20 Cb 0.59 -1.34 0.56 0.00 -0.72 0.00 0.00 41.12 40.20 2gpy n ASP 20 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 2gpy h GLN 21 N 2.09 0.30 -0.58 -0.67 3.07 -1.99 -0.56 115.11 116.77 2gpy h GLN 21 Ca -0.42 -0.02 -0.10 0.00 0.09 0.00 0.00 58.65 58.21 2gpy h GLN 21 Cb 1.33 -0.07 -0.02 0.00 0.08 0.00 0.00 27.48 28.80 2gpy h GLN 21 CO 0.61 0.20 -0.02 -0.92 0.09 0.00 0.00 178.83 178.78 2gpy h TYR 22 N 0.31 1.15 -0.33 0.06 3.20 -1.99 -0.02 116.97 119.36 2gpy h TYR 22 Ca 0.52 -0.21 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 2gpy h TYR 22 Cb 1.46 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 2gpy h TYR 22 CO -0.00 1.03 0.10 0.82 -1.64 0.00 0.00 178.16 178.46 2gpy h ILE 23 N 0.94 1.21 -0.74 1.81 1.08 -1.49 -2.95 117.51 117.36 2gpy h ILE 23 Ca 0.16 -0.69 0.02 0.00 -0.39 0.00 0.00 64.86 63.97 2gpy h ILE 23 Cb 0.59 1.04 -0.04 0.00 -3.07 0.00 0.00 36.82 35.34 2gpy h ILE 23 CO 0.03 0.23 0.49 -0.33 -0.69 0.00 0.00 178.15 177.89 2gpy h GLU 24 N 0.37 0.92 -1.63 2.37 5.08 -1.01 -1.31 114.58 119.37 2gpy h GLU 24 Ca 0.10 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2gpy h GLU 24 Cb 0.26 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2gpy h GLU 24 CO -0.00 0.61 0.00 0.94 -1.00 0.00 0.00 179.01 179.55 2gpy n GLN 25 N -4.44 0.39 0.00 2.33 -0.06 -0.04 -1.99 117.38 113.57 2gpy n GLN 25 Ca 0.09 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.09 2gpy n GLN 25 Cb 0.08 -1.30 0.00 0.00 -4.06 0.00 0.00 30.24 24.96 2gpy n GLN 25 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 2gpy n GLU 27 N 0.86 0.00 -0.16 3.69 1.02 -0.49 -1.30 120.64 124.26 2gpy n GLU 27 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 2gpy n GLU 27 Cb 0.20 0.00 0.20 0.00 -0.02 0.00 0.00 31.44 31.81 2gpy n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gpy h ARG 28 N 0.00 0.89 -0.41 3.49 3.08 -1.68 -2.21 114.38 117.53 2gpy h ARG 28 Ca 0.00 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 2gpy h ARG 28 Cb 0.00 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 2gpy h ARG 28 CO 0.00 0.74 0.14 1.49 -1.07 0.00 0.00 179.97 181.27 2gpy h GLU 29 N 0.87 0.63 -0.52 0.04 4.81 -1.46 0.47 114.58 119.42 2gpy h GLU 29 Ca 0.20 -0.13 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2gpy h GLU 29 Cb 0.19 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 2gpy h GLU 29 CO -0.02 0.61 0.30 0.00 -0.73 0.00 0.00 179.01 179.18 2gpy h ALA 30 N 0.99 0.67 0.29 2.92 0.00 -1.78 -0.24 119.26 122.11 2gpy h ALA 30 Ca 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2gpy h ALA 30 Cb 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2gpy h ALA 30 CO -0.01 -0.01 -0.14 1.25 0.00 0.00 0.00 179.25 180.34 2gpy h HIS 31 N 0.59 -0.37 -0.18 0.00 -0.00 -1.17 0.31 115.15 114.34 2gpy h HIS 31 Ca 0.22 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.56 2gpy h HIS 31 Cb 0.06 0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.58 2gpy h HIS 31 CO -0.08 -0.11 0.05 1.05 -0.00 0.00 0.00 177.93 178.84 2gpy h GLU 32 N -0.57 0.25 -0.29 5.26 4.11 -0.83 -2.56 114.58 119.95 2gpy h GLU 32 Ca -0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.36 2gpy h GLU 32 Cb 0.42 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2gpy h GLU 32 CO 0.07 0.23 0.00 1.04 0.07 0.00 0.00 179.01 180.42 2gpy n GLN 33 N -4.44 2.29 -3.85 1.06 1.13 -0.11 -5.00 117.38 108.47 2gpy n GLN 33 Ca -0.00 -2.10 -0.25 0.00 -1.94 0.00 0.00 57.00 52.71 2gpy n GLN 33 Cb 0.13 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.03 2gpy n GLN 33 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2gpy n GLN 34 N 1.30 -3.45 -3.72 -1.09 1.13 0.87 -4.99 117.38 107.43 2gpy n GLN 34 Ca 0.17 0.47 -0.36 0.00 -1.94 0.00 0.00 57.00 55.34 2gpy n GLN 34 Cb 0.56 -4.65 -0.08 0.00 0.11 0.00 0.00 30.24 26.18 2gpy n GLN 34 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2gpy s VAL 35 N -3.82 5.40 -0.12 5.09 1.01 0.16 -5.03 120.40 123.09 2gpy s VAL 35 Ca 0.06 0.26 -0.39 0.00 0.00 0.00 0.00 61.98 61.91 2gpy s VAL 35 Cb -0.02 -3.49 -0.17 0.00 0.00 0.00 0.00 36.38 32.70 2gpy s VAL 35 CO 0.86 0.46 1.50 -2.65 0.00 0.00 0.00 175.10 175.28 2gpy n PRO 36 N 3.28 0.95 0.00 2.72 -0.02 -1.26 -4.64 135.00 136.03 2gpy n PRO 36 Ca -0.16 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 2gpy n PRO 36 Cb 0.52 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2gpy n PRO 36 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 2gpy n ILE 37 N 3.38 0.00 -4.26 4.25 3.06 -1.26 -4.75 119.36 119.79 2gpy n ILE 37 Ca 0.23 0.00 -0.28 0.00 -2.50 0.00 0.00 62.75 60.19 2gpy n ILE 37 Cb 0.14 0.00 -0.10 0.00 0.54 0.00 0.00 39.64 40.22 2gpy n ILE 37 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 2gpy s ASP 39 N 1.29 4.27 0.11 9.51 -4.77 -1.26 -5.15 116.67 120.67 2gpy s ASP 39 Ca 0.00 -0.49 -0.18 0.00 -3.30 0.00 0.00 52.55 48.57 2gpy s ASP 39 Cb 0.00 -0.75 -0.05 0.00 -1.09 0.00 0.00 42.92 41.03 2gpy s ASP 39 CO 0.00 0.14 1.67 0.25 0.70 0.00 0.00 175.17 177.93 2gpy h LEU 40 N 3.31 0.36 -0.71 2.11 6.46 -2.04 -3.00 115.31 121.81 2gpy h LEU 40 Ca -0.48 -0.14 -0.04 0.00 -0.12 0.00 0.00 57.88 57.10 2gpy h LEU 40 Cb 1.18 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.99 2gpy h LEU 40 CO 0.52 0.40 0.29 -0.07 -0.62 0.00 0.00 178.44 178.97 2gpy h LEU 41 N 0.30 0.97 -1.48 2.25 4.07 -1.96 -1.22 115.31 118.24 2gpy h LEU 41 Ca 0.09 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.89 2gpy h LEU 41 Cb 0.15 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.63 2gpy h LEU 41 CO -0.01 0.87 0.00 0.61 -1.08 0.00 0.00 178.44 178.83 2gpy n GLY 42 N -0.87 0.06 0.19 0.83 0.00 -1.13 -2.14 105.19 102.11 2gpy n GLY 42 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2gpy n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gpy n GLU 44 N 0.72 0.00 -0.15 1.61 -0.58 -0.46 -0.44 120.64 121.34 2gpy n GLU 44 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 2gpy n GLU 44 Cb 0.01 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 30.88 2gpy n GLU 44 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 2gpy h SER 45 N 0.00 0.62 -0.48 1.62 0.02 -1.70 -2.05 113.55 111.57 2gpy h SER 45 Ca 0.00 -0.19 0.01 0.00 -0.84 0.00 0.00 61.79 60.77 2gpy h SER 45 Cb 0.00 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 2gpy h SER 45 CO 0.00 0.64 0.31 0.25 -1.14 0.00 0.00 176.83 176.89 2gpy h LEU 46 N 0.55 0.51 -0.87 5.07 5.85 -1.02 -1.19 115.31 124.22 2gpy h LEU 46 Ca 0.14 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 2gpy h LEU 46 Cb 0.24 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2gpy h LEU 46 CO -0.01 0.37 0.23 -0.07 -0.34 0.00 0.00 178.44 178.62 2gpy h LEU 47 N 0.62 0.99 -0.55 2.25 3.38 -1.78 -0.22 115.31 120.00 2gpy h LEU 47 Ca 0.18 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2gpy h LEU 47 Cb -0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2gpy h LEU 47 CO -0.06 0.92 0.13 -0.74 0.09 0.00 0.00 178.44 178.78 2gpy h HIS 48 N 1.03 0.93 -0.71 1.13 2.76 -1.00 -0.48 115.15 118.81 2gpy h HIS 48 Ca 0.23 -0.11 -0.06 0.00 -2.20 0.00 0.00 60.37 58.23 2gpy h HIS 48 Cb 0.27 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 28.94 2gpy h HIS 48 CO 0.02 0.81 0.21 -0.07 -1.30 0.00 0.00 177.93 177.60 2gpy h LEU 49 N 0.78 1.04 -0.46 0.26 3.38 -0.88 -2.69 115.31 116.74 2gpy h LEU 49 Ca 0.17 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2gpy h LEU 49 Cb 0.35 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2gpy h LEU 49 CO 0.00 0.97 0.28 -0.07 0.09 0.00 0.00 178.44 179.71 2gpy h LEU 50 N 1.06 0.56 -1.85 1.67 3.38 -0.77 -1.42 115.31 117.93 2gpy h LEU 50 Ca 0.23 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2gpy h LEU 50 Cb 0.32 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2gpy h LEU 50 CO -0.01 0.45 0.00 0.29 0.09 0.00 0.00 178.44 179.26 2gpy n LYS 51 N -4.72 0.00 0.00 1.13 5.02 -0.21 -0.23 118.16 119.15 2gpy n LYS 51 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2gpy n LYS 51 Cb 0.05 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 2gpy n LYS 51 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gpy n ALA 53 N 0.90 0.00 -3.63 7.82 0.00 -0.54 -4.88 120.51 120.19 2gpy n ALA 53 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 2gpy n ALA 53 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 2gpy n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gpy n ALA 54 N 0.00 -2.07 -1.79 0.00 0.00 0.68 -4.96 120.51 112.38 2gpy n ALA 54 Ca 0.00 -0.14 -0.35 0.00 0.00 0.00 0.00 53.44 52.95 2gpy n ALA 54 Cb 0.00 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.09 2gpy n ALA 54 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2gpy s PRO 55 N -5.78 3.85 -0.04 0.00 0.04 -1.26 -4.97 135.00 126.84 2gpy s PRO 55 Ca 0.05 1.45 0.17 0.00 0.04 0.00 0.00 61.00 62.71 2gpy s PRO 55 Cb -0.01 -2.22 -0.21 0.00 0.04 0.00 0.00 34.50 32.10 2gpy s PRO 55 CO 0.80 -0.41 0.56 0.00 0.04 0.00 0.00 177.00 177.99 2gpy n ALA 56 N -0.74 1.85 -3.71 8.56 0.00 -1.26 -4.57 120.51 120.64 2gpy n ALA 56 Ca 0.08 -0.78 -0.20 0.00 0.00 0.00 0.00 53.44 52.54 2gpy n ALA 56 Cb 0.51 -0.71 -0.17 0.00 0.00 0.00 0.00 19.45 19.08 2gpy n ALA 56 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2gpy s ARG 57 N -2.83 0.12 -0.06 0.00 0.52 -1.26 -0.63 118.95 114.81 2gpy s ARG 57 Ca -0.06 0.26 0.04 0.00 -0.52 0.00 0.00 55.73 55.45 2gpy s ARG 57 Cb 0.08 -0.57 -0.00 0.00 0.52 0.00 0.00 34.95 34.98 2gpy s ARG 57 CO 0.83 -0.28 -0.19 0.42 0.02 0.00 0.00 175.30 176.10 2gpy s ILE 58 N 1.83 1.64 -0.14 1.52 1.01 -0.09 -0.84 121.20 126.13 2gpy s ILE 58 Ca 0.01 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 2gpy s ILE 58 Cb -0.12 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 2gpy s ILE 58 CO -0.03 0.47 -0.10 -0.22 0.00 0.00 0.00 174.94 175.05 2gpy s LEU 59 N 0.13 2.85 -0.06 2.97 2.96 -0.01 -0.61 118.68 126.92 2gpy s LEU 59 Ca -0.08 -0.28 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 2gpy s LEU 59 Cb -0.14 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 2gpy s LEU 59 CO 0.04 0.16 -0.23 -0.70 -1.32 0.00 0.00 176.35 174.30 2gpy s GLU 60 N 0.40 2.42 -0.31 1.98 2.12 -0.09 -0.36 118.70 124.86 2gpy s GLU 60 Ca -0.09 -0.82 -0.08 0.00 0.36 0.00 0.00 54.97 54.34 2gpy s GLU 60 Cb -0.15 -2.02 0.01 0.00 0.26 0.00 0.00 34.13 32.22 2gpy s GLU 60 CO 0.05 0.32 0.12 0.42 -0.54 0.00 0.00 175.26 175.62 2gpy s ILE 61 N -0.03 4.19 0.00 -3.70 -1.09 -0.73 -1.56 121.20 118.28 2gpy s ILE 61 Ca -0.06 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 57.67 2gpy s ILE 61 Cb -0.14 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 2gpy s ILE 61 CO 0.04 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.37 2gpy n GLY 62 N 4.91 0.77 0.19 6.18 0.00 0.15 -4.64 105.19 112.75 2gpy n GLY 62 Ca -0.14 -0.70 0.03 0.00 0.00 0.00 0.00 46.02 45.21 2gpy n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gpy h THR 63 N 0.00 1.21 0.00 2.61 1.03 -1.66 -3.48 112.91 112.62 2gpy h THR 63 Ca 0.00 -1.29 0.00 0.00 -0.01 0.00 0.00 66.41 65.11 2gpy h THR 63 Cb 0.00 1.71 0.00 0.00 -1.07 0.00 0.00 68.15 68.79 2gpy h THR 63 CO 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 175.52 175.87 2gpy n ALA 64 N -2.44 0.00 -0.46 0.00 0.00 -1.26 -0.95 120.51 115.40 2gpy n ALA 64 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.51 2gpy n ALA 64 Cb 0.41 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.20 2gpy n ALA 64 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2gpy n ILE 65 N 0.00 1.67 -0.47 0.00 -5.35 -1.26 -4.24 119.36 109.71 2gpy n ILE 65 Ca 0.00 -1.10 0.00 0.00 -0.27 0.00 0.00 62.75 61.38 2gpy n ILE 65 Cb 0.00 0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.02 2gpy n ILE 65 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gpy n GLY 66 N 1.15 0.76 0.14 3.28 0.00 -0.12 -3.93 105.19 106.46 2gpy n GLY 66 Ca 0.24 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 2gpy n GLY 66 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2gpy h TYR 67 N 0.00 -0.24 -0.44 1.61 3.20 -1.92 -0.90 116.97 118.29 2gpy h TYR 67 Ca 0.00 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.74 2gpy h TYR 67 Cb 0.00 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 2gpy h TYR 67 CO 0.00 -0.15 -0.25 0.66 -1.64 0.00 0.00 178.16 176.78 2gpy h SER 68 N -0.24 0.94 -0.21 -2.11 4.64 -1.94 -0.58 113.55 114.05 2gpy h SER 68 Ca -0.01 -0.37 0.02 0.00 -0.47 0.00 0.00 61.79 60.96 2gpy h SER 68 Cb 0.20 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 2gpy h SER 68 CO 0.01 1.14 0.07 0.00 -0.87 0.00 0.00 176.83 177.18 2gpy h ALA 69 N 0.92 0.23 0.08 5.18 0.00 -1.86 -2.93 119.26 120.89 2gpy h ALA 69 Ca 0.10 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2gpy h ALA 69 Cb 0.81 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2gpy h ALA 69 CO 0.07 -0.35 -0.06 0.82 0.00 0.00 0.00 179.25 179.73 2gpy h ILE 70 N 0.17 0.87 0.00 0.00 2.04 -1.00 -0.92 117.51 118.67 2gpy h ILE 70 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.95 2gpy h ILE 70 Cb 0.07 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2gpy h ILE 70 CO -0.10 0.00 0.00 0.54 0.00 0.00 0.00 178.15 178.59 2gpy n ARG 71 N -5.16 0.30 0.00 2.37 1.74 -0.24 -0.97 116.66 114.70 2gpy n ARG 71 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2gpy n ARG 71 Cb 0.09 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2gpy n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2gpy n ALA 73 N 0.83 0.00 -0.06 7.54 0.00 -0.35 -1.38 120.51 127.10 2gpy n ALA 73 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2gpy n ALA 73 Cb 0.15 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.75 2gpy n ALA 73 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2gpy h GLN 74 N 0.00 0.68 0.00 0.00 4.20 -1.31 -3.03 115.11 115.64 2gpy h GLN 74 Ca 0.00 -0.23 -0.10 0.00 0.06 0.00 0.00 58.65 58.37 2gpy h GLN 74 Cb 0.00 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2gpy h GLN 74 CO 0.00 0.80 -0.49 0.00 -0.67 0.00 0.00 178.83 178.47 2gpy h ALA 75 N 1.22 0.81 -2.66 3.87 0.00 -1.48 -3.37 119.26 117.65 2gpy h ALA 75 Ca 0.10 -0.45 -0.61 0.00 0.00 0.00 0.00 54.91 53.95 2gpy h ALA 75 Cb 0.61 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 17.91 2gpy h ALA 75 CO 0.04 0.62 -0.68 1.28 0.00 0.00 0.00 179.25 180.51 2gpy n LEU 76 N -3.41 2.45 0.33 0.00 4.77 -1.15 -4.91 117.00 115.09 2gpy n LEU 76 Ca 0.01 -5.10 0.21 0.00 -0.03 0.00 0.00 56.01 51.10 2gpy n LEU 76 Cb 0.64 -0.42 1.17 0.00 -2.33 0.00 0.00 43.42 42.48 2gpy n LEU 76 CO 0.39 1.88 1.18 -0.65 -1.33 0.00 0.00 177.39 178.86 2gpy h PRO 77 N 5.00 0.00 0.00 3.23 0.11 -1.73 -0.96 132.00 137.65 2gpy h PRO 77 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2gpy h PRO 77 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 2gpy h PRO 77 CO 0.67 0.00 -0.64 0.93 -0.21 0.00 0.00 178.00 178.76 2gpy h GLU 78 N 0.00 0.00 -6.89 1.05 4.39 -1.94 -3.48 114.58 107.71 2gpy h GLU 78 Ca 0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 2gpy h GLU 78 Cb 0.00 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.68 2gpy h GLU 78 CO -0.00 0.00 0.09 0.00 -1.16 0.00 0.00 179.01 177.94 2gpy s ALA 79 N -3.21 3.41 0.07 3.43 0.00 -0.36 -4.96 121.76 120.14 2gpy s ALA 79 Ca 0.05 -0.47 0.08 0.00 0.00 0.00 0.00 51.96 51.62 2gpy s ALA 79 Cb 0.12 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 2gpy s ALA 79 CO 0.73 -0.27 -0.20 0.95 0.00 0.00 0.00 175.76 176.97 2gpy s THR 80 N -2.65 2.69 -0.03 0.00 -4.23 0.20 -4.91 115.64 106.71 2gpy s THR 80 Ca 0.48 -1.36 0.06 0.00 -1.18 0.00 0.00 61.69 59.69 2gpy s THR 80 Cb -0.10 -2.17 -0.01 0.00 1.34 0.00 0.00 72.50 71.56 2gpy s THR 80 CO 0.42 0.24 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.90 2gpy s ILE 81 N -0.99 1.71 -0.10 2.99 1.01 0.07 -0.91 121.20 124.98 2gpy s ILE 81 Ca 0.15 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.93 2gpy s ILE 81 Cb -0.10 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.91 2gpy s ILE 81 CO 0.07 0.48 -0.19 -0.69 0.00 0.00 0.00 174.94 174.61 2gpy s VAL 82 N -0.28 2.54 0.01 2.92 1.01 0.23 -0.24 120.40 126.58 2gpy s VAL 82 Ca 0.02 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.15 2gpy s VAL 82 Cb -0.10 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 2gpy s VAL 82 CO 0.01 0.55 -0.04 -0.55 0.00 0.00 0.00 175.10 175.07 2gpy s SER 83 N 0.13 0.41 -0.09 3.32 0.15 -0.12 -0.91 113.70 116.60 2gpy s SER 83 Ca -0.10 -0.18 0.04 0.00 0.70 0.00 0.00 55.95 56.42 2gpy s SER 83 Cb -0.16 -0.01 -0.01 0.00 -1.71 0.00 0.00 66.02 64.14 2gpy s SER 83 CO 0.06 -0.04 -0.24 -0.63 1.20 0.00 0.00 173.24 173.60 2gpy s ILE 84 N -0.41 2.13 -0.02 6.45 1.01 -0.60 -0.16 121.20 129.60 2gpy s ILE 84 Ca -0.02 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.63 2gpy s ILE 84 Cb -0.03 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.65 2gpy s ILE 84 CO -0.00 0.56 -0.03 -0.70 0.00 0.00 0.00 174.94 174.77 2gpy s GLU 85 N 0.15 0.42 0.05 2.79 2.56 -0.42 0.32 118.70 124.56 2gpy s GLU 85 Ca -0.13 -0.06 0.22 0.00 0.00 0.00 0.00 54.97 55.01 2gpy s GLU 85 Cb -0.16 -0.48 -0.15 0.00 2.00 0.00 0.00 34.13 35.34 2gpy s GLU 85 CO 0.07 -0.02 0.78 2.89 -0.56 0.00 0.00 175.26 178.42 2gpy n ARG 86 N 3.60 0.50 -2.98 4.30 1.85 -1.17 -0.98 116.66 121.78 2gpy n ARG 86 Ca -0.20 -0.06 -0.41 0.00 -1.00 0.00 0.00 57.85 56.17 2gpy n ARG 86 Cb 0.54 -1.61 -0.05 0.00 -1.05 0.00 0.00 32.46 30.29 2gpy n ARG 86 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2gpy s ASP 87 N -4.45 6.72 0.17 2.89 -1.08 -1.26 -4.78 116.67 114.86 2gpy s ASP 87 Ca -0.02 0.88 -0.12 0.00 -0.52 0.00 0.00 52.55 52.77 2gpy s ASP 87 Cb 0.13 -2.39 0.06 0.00 -1.46 0.00 0.00 42.92 39.26 2gpy s ASP 87 CO 0.85 -0.46 1.69 -0.08 0.52 0.00 0.00 175.17 177.69 2gpy h GLU 88 N 7.80 0.89 -0.26 4.34 4.81 -1.99 -0.71 114.58 129.45 2gpy h GLU 88 Ca -0.25 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2gpy h GLU 88 Cb 1.10 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 2gpy h GLU 88 CO 0.83 0.81 0.17 -0.09 -0.73 0.00 0.00 179.01 180.01 2gpy h ARG 89 N 0.80 0.34 -0.38 1.92 2.43 -1.99 -1.77 114.38 115.73 2gpy h ARG 89 Ca 0.18 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 2gpy h ARG 89 Cb 0.30 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2gpy h ARG 89 CO -0.00 0.23 0.17 0.00 -1.51 0.00 0.00 179.97 178.86 2gpy h ARG 90 N 0.35 0.56 -0.47 0.20 3.08 -1.78 -1.77 114.38 114.56 2gpy h ARG 90 Ca 0.10 -0.09 0.06 0.00 0.07 0.00 0.00 59.98 60.12 2gpy h ARG 90 Cb -0.04 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 29.86 2gpy h ARG 90 CO -0.02 0.51 0.16 -0.92 -1.07 0.00 0.00 179.97 178.63 2gpy h TYR 91 N 0.48 0.28 -0.69 3.04 3.20 -1.04 0.11 116.97 122.35 2gpy h TYR 91 Ca 0.13 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 2gpy h TYR 91 Cb 0.14 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 2gpy h TYR 91 CO -0.01 0.09 0.23 0.93 -1.64 0.00 0.00 178.16 177.76 2gpy h GLU 92 N 0.33 1.05 -0.19 1.82 4.39 -1.19 -0.22 114.58 120.57 2gpy h GLU 92 Ca 0.23 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 2gpy h GLU 92 Cb 0.24 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2gpy h GLU 92 CO -0.24 0.89 -0.11 1.49 -1.16 0.00 0.00 179.01 179.88 2gpy h GLU 93 N 1.01 0.41 -0.97 2.33 4.81 -0.76 -2.66 114.58 118.76 2gpy h GLU 93 Ca 0.23 -0.19 0.09 0.00 -0.13 0.00 0.00 59.36 59.35 2gpy h GLU 93 Cb 0.27 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.57 2gpy h GLU 93 CO -0.01 0.72 0.62 0.00 -0.73 0.00 0.00 179.01 179.61 2gpy h ALA 94 N 0.68 1.40 -0.75 2.92 0.00 -0.59 -0.86 119.26 122.06 2gpy h ALA 94 Ca 0.04 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2gpy h ALA 94 Cb 0.61 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2gpy h ALA 94 CO 0.03 0.32 0.27 1.25 0.00 0.00 0.00 179.25 181.12 2gpy h HIS 95 N 1.06 1.18 -0.40 0.00 -0.00 -0.91 -1.26 115.15 114.82 2gpy h HIS 95 Ca 0.45 -0.10 -0.06 0.00 -0.00 0.00 0.00 60.37 60.66 2gpy h HIS 95 Cb 0.30 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.35 2gpy h HIS 95 CO -0.01 0.91 0.02 0.87 -0.00 0.00 0.00 177.93 179.71 2gpy h LYS 96 N 1.10 0.69 -0.83 5.26 1.57 -1.06 -2.15 116.57 121.15 2gpy h LYS 96 Ca 0.25 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2gpy h LYS 96 Cb 0.26 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 2gpy h LYS 96 CO -0.02 0.77 0.49 0.45 -0.57 0.00 0.00 179.45 180.58 2gpy h HIS 97 N 0.52 1.11 -0.49 -1.35 3.86 -0.86 0.21 115.15 118.14 2gpy h HIS 97 Ca 0.11 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 2gpy h HIS 97 Cb 0.45 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 2gpy h HIS 97 CO 0.03 0.75 0.32 0.28 0.86 0.00 0.00 177.93 180.17 2gpy h VAL 98 N 1.15 1.14 -0.61 2.45 2.07 -1.19 -2.69 116.25 118.56 2gpy h VAL 98 Ca 0.30 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 2gpy h VAL 98 Cb -0.03 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 2gpy h VAL 98 CO -0.05 0.14 0.24 0.11 0.02 0.00 0.00 177.57 178.02 2gpy h LYS 99 N 0.67 0.92 -1.00 1.57 1.57 -1.00 -1.59 116.57 117.71 2gpy h LYS 99 Ca 0.18 -0.17 0.20 0.00 -1.87 0.00 0.00 60.65 58.99 2gpy h LYS 99 Cb -0.05 -0.15 -0.10 0.00 0.08 0.00 0.00 32.23 32.01 2gpy h LYS 99 CO -0.04 0.78 0.62 0.00 -0.57 0.00 0.00 179.45 180.24 2gpy h ALA 100 N 1.09 1.79 -0.39 3.86 0.00 -0.28 -1.40 119.26 123.92 2gpy h ALA 100 Ca 0.20 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2gpy h ALA 100 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2gpy h ALA 100 CO -0.02 -0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.35 2gpy n LEU 101 N -4.73 3.04 -1.06 0.00 4.77 -1.08 -4.95 117.00 113.00 2gpy n LEU 101 Ca 0.23 -1.36 -0.10 0.00 -0.03 0.00 0.00 56.01 54.76 2gpy n LEU 101 Cb 0.62 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 2gpy n LEU 101 CO 0.23 0.68 -0.12 0.61 -1.33 0.00 0.00 177.39 177.45 2gpy n GLY 102 N 1.42 0.12 1.04 -0.72 0.00 -0.53 -4.93 105.19 101.59 2gpy n GLY 102 Ca 0.19 -0.49 0.10 0.00 0.00 0.00 0.00 46.02 45.81 2gpy n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gpy n LEU 103 N -1.36 3.41 0.27 0.99 4.77 -0.62 -4.62 117.00 119.85 2gpy n LEU 103 Ca -0.11 -1.81 0.12 0.00 -0.03 0.00 0.00 56.01 54.18 2gpy n LEU 103 Cb 0.55 -0.32 0.78 0.00 -2.33 0.00 0.00 43.42 42.10 2gpy n LEU 103 CO 0.14 0.81 1.04 -0.08 -1.33 0.00 0.00 177.39 177.97 2gpy h GLU 104 N 3.56 0.00 0.00 3.23 4.81 -1.83 -0.83 114.58 123.52 2gpy h GLU 104 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2gpy h GLU 104 Cb 0.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.26 2gpy h GLU 104 CO 0.00 0.06 0.00 -1.13 -0.73 0.00 0.00 179.01 177.21 2gpy n SER 105 N -3.90 0.15 0.00 1.04 3.41 -1.26 -3.62 113.62 109.43 2gpy n SER 105 Ca -0.03 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 2gpy n SER 105 Cb 0.15 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 2gpy n SER 105 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2gpy n ARG 106 N -1.64 5.68 -4.00 4.33 1.74 -0.44 -4.96 116.66 117.36 2gpy n ARG 106 Ca 0.06 -0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.83 2gpy n ARG 106 Cb 0.31 -0.42 -0.16 0.00 -1.02 0.00 0.00 32.46 31.17 2gpy n ARG 106 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2gpy s ILE 107 N -0.81 1.67 -0.30 0.55 1.01 -0.48 -0.75 121.20 122.09 2gpy s ILE 107 Ca 0.00 -1.03 -0.11 0.00 0.00 0.00 0.00 60.65 59.51 2gpy s ILE 107 Cb 0.00 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 2gpy s ILE 107 CO 0.00 0.17 0.19 -0.70 0.00 0.00 0.00 174.94 174.60 2gpy s GLU 108 N 1.38 3.64 -0.19 2.79 2.12 0.66 -4.65 118.70 124.46 2gpy s GLU 108 Ca -0.01 -0.53 -0.08 0.00 0.36 0.00 0.00 54.97 54.71 2gpy s GLU 108 Cb -0.16 -3.66 -0.04 0.00 0.26 0.00 0.00 34.13 30.52 2gpy s GLU 108 CO -0.08 -0.32 0.08 -0.51 -0.54 0.00 0.00 175.26 173.88 2gpy s LEU 109 N 1.71 3.86 -0.11 2.70 1.43 -1.26 -0.94 118.68 126.06 2gpy s LEU 109 Ca 0.06 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 2gpy s LEU 109 Cb -0.17 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 2gpy s LEU 109 CO 0.09 0.16 -0.09 -0.76 0.23 0.00 0.00 176.35 175.98 2gpy s LEU 110 N 0.48 3.01 -0.31 1.79 1.43 0.77 -4.96 118.68 120.88 2gpy s LEU 110 Ca 0.04 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 52.85 2gpy s LEU 110 Cb -0.12 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 2gpy s LEU 110 CO 0.00 0.24 0.21 0.12 0.23 0.00 0.00 176.35 177.15 2gpy s PHE 111 N -0.06 3.21 0.00 0.29 5.36 -1.26 -1.30 117.98 124.21 2gpy s PHE 111 Ca -0.00 -0.16 0.00 0.00 -0.96 0.00 0.00 56.93 55.80 2gpy s PHE 111 Cb -0.14 -2.42 0.00 0.00 -0.34 0.00 0.00 43.02 40.12 2gpy s PHE 111 CO 0.03 -0.31 0.00 0.41 -1.46 0.00 0.00 175.22 173.89 2gpy n GLY 112 N 5.07 -0.31 3.62 13.12 0.00 -0.15 -4.95 105.19 121.59 2gpy n GLY 112 Ca -0.13 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 2gpy n GLY 112 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2gpy s ASP 113 N 0.00 6.75 0.49 1.61 -1.08 -1.26 -3.01 116.67 120.16 2gpy s ASP 113 Ca 0.00 0.80 0.20 0.00 -0.52 0.00 0.00 52.55 53.03 2gpy s ASP 113 Cb 0.00 -2.45 1.24 0.00 -1.46 0.00 0.00 42.92 40.26 2gpy s ASP 113 CO 0.00 -0.67 1.99 0.00 0.52 0.00 0.00 175.17 177.01 2gpy h ALA 114 N 8.06 2.28 0.00 3.66 0.00 -1.94 0.78 119.26 132.11 2gpy h ALA 114 Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2gpy h ALA 114 Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2gpy h ALA 114 CO 0.92 -0.42 0.00 1.28 0.00 0.00 0.00 179.25 181.03 2gpy n LEU 115 N -4.43 0.58 -0.50 0.00 4.32 -1.26 -2.07 117.00 113.64 2gpy n LEU 115 Ca 0.09 0.60 0.09 0.00 -0.02 0.00 0.00 56.01 56.78 2gpy n LEU 115 Cb 0.49 -0.48 0.02 0.00 -1.62 0.00 0.00 43.42 41.83 2gpy n LEU 115 CO 0.35 -0.35 0.34 0.00 -1.22 0.00 0.00 177.39 176.51 2gpy n GLN 116 N -2.10 1.56 -0.20 3.23 6.02 0.23 -4.53 117.38 121.59 2gpy n GLN 116 Ca 0.04 -1.07 0.08 0.00 -0.01 0.00 0.00 57.00 56.04 2gpy n GLN 116 Cb 0.30 -1.36 0.19 0.00 1.02 0.00 0.00 30.24 30.39 2gpy n GLN 116 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2gpy n LEU 117 N 0.19 3.12 -0.13 1.08 4.77 -0.88 -4.67 117.00 120.49 2gpy n LEU 117 Ca 0.09 -1.80 -0.04 0.00 -0.03 0.00 0.00 56.01 54.22 2gpy n LEU 117 Cb 0.41 -0.27 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 2gpy n LEU 117 CO 0.21 0.75 0.88 1.23 -1.33 0.00 0.00 177.39 179.13 2gpy h GLY 118 N 2.93 0.47 1.76 -0.72 0.00 -1.79 -1.72 103.07 104.00 2gpy h GLY 118 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 2gpy h GLY 118 CO 0.00 -0.07 -0.22 0.83 0.00 0.00 0.00 176.54 177.08 2gpy h GLU 119 N 0.17 0.29 -0.26 4.80 4.39 -1.94 -0.12 114.58 121.90 2gpy h GLU 119 Ca 0.21 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 2gpy h GLU 119 Cb 0.27 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2gpy h GLU 119 CO -0.30 0.50 -0.04 -0.22 -1.16 0.00 0.00 179.01 177.78 2gpy h LYS 120 N 0.26 0.48 0.00 2.33 3.64 -1.81 -3.26 116.57 118.21 2gpy h LYS 120 Ca 0.04 -0.18 -0.11 0.00 -1.27 0.00 0.00 60.65 59.14 2gpy h LYS 120 Cb 0.54 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 2gpy h LYS 120 CO 0.04 0.69 -0.52 -0.07 -2.27 0.00 0.00 179.45 177.31 2gpy h LEU 121 N 0.24 0.00 -2.03 5.20 4.07 -0.74 -2.62 115.31 119.43 2gpy h LEU 121 Ca 0.07 0.00 0.12 0.00 0.08 0.00 0.00 57.88 58.15 2gpy h LEU 121 Cb 0.50 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 2gpy h LEU 121 CO 0.02 0.52 0.33 -0.33 -1.08 0.00 0.00 178.44 177.90 2gpy h GLU 122 N 0.00 0.00 0.00 1.13 5.08 -1.08 -1.45 114.58 118.26 2gpy h GLU 122 Ca -0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 2gpy h GLU 122 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2gpy h GLU 122 CO 0.07 0.00 -0.30 -0.07 -1.00 0.00 0.00 179.01 177.71 2gpy h LEU 123 N 0.00 0.00-10.24 1.33 3.38 -1.56 -3.45 115.31 104.77 2gpy h LEU 123 Ca 0.20 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.67 2gpy h LEU 123 Cb 0.86 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.69 2gpy h LEU 123 CO -0.00 0.30 0.37 -0.31 0.09 0.00 0.00 178.44 178.89 2gpy s TYR 124 N -4.14 2.99 0.81 1.13 1.51 -0.55 -5.02 117.35 114.09 2gpy s TYR 124 Ca -0.02 1.49 -0.12 0.00 -1.01 0.00 0.00 57.07 57.41 2gpy s TYR 124 Cb 0.14 -2.98 0.09 0.00 -0.11 0.00 0.00 41.96 39.10 2gpy s TYR 124 CO 0.69 -1.20 1.15 -2.14 -1.11 0.00 0.00 175.55 172.94 2gpy s PRO 125 N -4.39 1.74 0.58 -1.71 0.02 -1.26 -4.93 135.00 125.04 2gpy s PRO 125 Ca 0.62 1.50 -0.20 0.00 0.02 0.00 0.00 61.00 62.94 2gpy s PRO 125 Cb -0.16 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 2gpy s PRO 125 CO 0.43 -2.09 1.22 1.28 -0.33 0.00 0.00 177.00 177.52 2gpy n LEU 126 N -3.54 5.00 -4.89 -5.54 4.77 -1.26 -5.00 117.00 106.54 2gpy n LEU 126 Ca 0.11 0.90 -0.32 0.00 -0.03 0.00 0.00 56.01 56.68 2gpy n LEU 126 Cb 0.52 -1.51 -0.05 0.00 -2.33 0.00 0.00 43.42 40.05 2gpy n LEU 126 CO 0.50 -1.06 0.03 -0.36 -1.33 0.00 0.00 177.39 175.17 2gpy s PHE 127 N -1.36 3.49 -0.12 -1.77 0.08 -1.26 -4.84 117.98 112.19 2gpy s PHE 127 Ca 0.75 0.58 0.15 0.00 0.12 0.00 0.00 56.93 58.52 2gpy s PHE 127 Cb -0.42 -2.02 -0.03 0.00 -0.57 0.00 0.00 43.02 39.98 2gpy s PHE 127 CO 0.47 0.45 1.22 -0.44 -0.10 0.00 0.00 175.22 176.82 2gpy h ASP 128 N 2.94 0.00 -3.67 1.36 3.32 -1.36 -0.72 116.42 118.29 2gpy h ASP 128 Ca -0.46 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.36 2gpy h ASP 128 Cb 1.17 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.43 2gpy h ASP 128 CO 0.72 0.58 -0.62 -0.69 -1.72 0.00 0.00 179.24 177.51 2gpy s VAL 129 N -2.92 -0.02 -0.12 -1.35 1.01 -1.09 -1.03 120.40 114.89 2gpy s VAL 129 Ca 0.01 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.07 2gpy s VAL 129 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.30 2gpy s VAL 129 CO 0.78 0.02 -0.19 -0.22 0.00 0.00 0.00 175.10 175.49 2gpy s LEU 130 N 0.38 2.38 -0.21 3.92 2.96 0.19 -0.83 118.68 127.46 2gpy s LEU 130 Ca -0.03 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.42 2gpy s LEU 130 Cb -0.04 -1.51 0.02 0.00 0.50 0.00 0.00 46.19 45.17 2gpy s LEU 130 CO -0.01 0.15 -0.14 0.12 -1.32 0.00 0.00 176.35 175.15 2gpy s PHE 131 N 0.42 2.93 0.31 5.38 5.36 0.51 -0.60 117.98 132.30 2gpy s PHE 131 Ca -0.14 -1.65 0.03 0.00 -0.96 0.00 0.00 56.93 54.21 2gpy s PHE 131 Cb -0.17 -1.97 -0.04 0.00 -0.34 0.00 0.00 43.02 40.50 2gpy s PHE 131 CO 0.06 -0.77 0.12 0.96 -1.46 0.00 0.00 175.22 174.13 2gpy s ILE 132 N 1.29 0.57 -0.18 3.12 -4.36 -0.34 -1.77 121.20 119.53 2gpy s ILE 132 Ca 0.02 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.40 2gpy s ILE 132 Cb -0.15 -2.57 0.05 0.00 1.25 0.00 0.00 42.46 41.04 2gpy s ILE 132 CO -0.09 0.00 -0.02 -0.62 0.24 0.00 0.00 174.94 174.45 2gpy s ASP 133 N -3.41 2.93 0.03 4.36 -1.08 -1.26 -1.37 116.67 116.86 2gpy s ASP 133 Ca 0.35 -0.75 0.07 0.00 -0.52 0.00 0.00 52.55 51.70 2gpy s ASP 133 Cb 0.06 -0.83 0.33 0.00 -1.46 0.00 0.00 42.92 41.01 2gpy s ASP 133 CO 0.16 -0.23 1.23 0.00 0.52 0.00 0.00 175.17 176.85 2gpy n ALA 134 N 4.91 1.28 0.87 3.66 0.00 -0.32 -1.94 120.51 128.97 2gpy n ALA 134 Ca -0.11 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.43 2gpy n ALA 134 Cb 0.47 -1.12 -0.08 0.00 0.00 0.00 0.00 19.45 18.72 2gpy n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gpy n ALA 135 N -1.52 4.38 -2.52 0.00 0.00 -1.26 -4.94 120.51 114.66 2gpy n ALA 135 Ca 0.01 -0.56 -0.27 0.00 0.00 0.00 0.00 53.44 52.63 2gpy n ALA 135 Cb 0.07 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 2gpy n ALA 135 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2gpy s LYS 136 N -3.06 3.56 0.70 0.00 1.02 -0.82 -5.07 119.74 116.07 2gpy s LYS 136 Ca 0.06 -0.08 -0.15 0.00 0.02 0.00 0.00 55.97 55.83 2gpy s LYS 136 Cb 0.16 -2.59 0.02 0.00 -0.52 0.00 0.00 37.83 34.90 2gpy s LYS 136 CO 0.85 0.10 1.15 0.20 -0.92 0.00 0.00 175.35 176.73 2gpy s GLY 137 N -3.68 2.22 -1.09 -3.33 0.00 -1.26 -3.67 107.32 96.50 2gpy s GLY 137 Ca 0.43 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.83 2gpy s GLY 137 CO 0.35 1.06 0.00 -1.06 0.00 0.00 0.00 173.10 173.45 2gpy n GLN 138 N -2.60 -0.78 -0.17 2.90 6.02 -1.26 -4.92 117.38 116.58 2gpy n GLN 138 Ca 0.12 0.85 -0.02 0.00 -0.01 0.00 0.00 57.00 57.93 2gpy n GLN 138 Cb 0.51 -4.80 0.04 0.00 1.02 0.00 0.00 30.24 27.02 2gpy n GLN 138 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 2gpy h TYR 139 N 0.00 -0.27 -0.54 1.08 3.20 -1.84 0.82 116.97 119.42 2gpy h TYR 139 Ca -0.21 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.63 2gpy h TYR 139 Cb 0.70 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 2gpy h TYR 139 CO 0.31 -0.22 0.04 0.00 -1.64 0.00 0.00 178.16 176.64 2gpy h ARG 140 N 0.00 0.93 -0.67 1.82 3.08 -1.92 -0.86 114.38 116.76 2gpy h ARG 140 Ca 0.25 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 2gpy h ARG 140 Cb 0.39 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 2gpy h ARG 140 CO -0.54 0.92 0.15 0.00 -1.07 0.00 0.00 179.97 179.43 2gpy h ARG 141 N 0.81 1.06 -0.57 0.04 3.08 -1.78 -1.33 114.38 115.69 2gpy h ARG 141 Ca 0.16 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 2gpy h ARG 141 Cb 0.48 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 2gpy h ARG 141 CO 0.02 0.95 0.23 0.74 -1.07 0.00 0.00 179.97 180.84 2gpy h PHE 142 N 1.01 0.86 0.14 3.04 0.04 -0.58 -2.98 116.94 118.48 2gpy h PHE 142 Ca 0.21 -0.06 0.01 0.00 2.80 0.00 0.00 57.97 60.93 2gpy h PHE 142 Cb 0.37 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 2gpy h PHE 142 CO 0.03 0.69 -0.19 0.35 -0.60 0.00 0.00 178.31 178.59 2gpy h PHE 143 N 0.78 -0.50 0.00 -0.55 3.04 -0.89 -1.39 116.94 117.43 2gpy h PHE 143 Ca 0.19 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.15 2gpy h PHE 143 Cb 0.19 0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.90 2gpy h PHE 143 CO 0.01 -0.28 0.00 -0.25 -2.02 0.00 0.00 178.31 175.76 2gpy n ASP 144 N -5.32 0.10 0.00 0.41 8.00 -0.52 -1.29 116.55 117.92 2gpy n ASP 144 Ca -0.07 -0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.23 2gpy n ASP 144 Cb 0.23 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 2gpy n ASP 144 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2gpy n TYR 146 N 0.42 0.00 0.15 1.24 4.01 -0.52 -4.46 117.16 118.00 2gpy n TYR 146 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.77 2gpy n TYR 146 Cb 0.02 0.00 0.40 0.00 -0.31 0.00 0.00 39.34 39.45 2gpy n TYR 146 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2gpy h SER 147 N 0.00 0.14 0.00 7.72 4.64 -1.37 -3.26 113.55 121.41 2gpy h SER 147 Ca 0.00 -0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.18 2gpy h SER 147 Cb 0.00 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.02 2gpy h SER 147 CO 0.00 0.35 0.08 -2.65 -0.87 0.00 0.00 176.83 173.75 2gpy n PRO 148 N -4.24 1.08 -0.63 4.77 -0.02 -1.26 -4.81 135.00 129.89 2gpy n PRO 148 Ca -0.01 -0.55 0.00 0.00 -2.02 0.00 0.00 63.50 60.92 2gpy n PRO 148 Cb 0.30 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 2gpy n PRO 148 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2gpy n VAL 150 N 2.77 0.00 -1.88 -1.45 0.31 -1.23 -5.05 118.33 111.80 2gpy n VAL 150 Ca 0.23 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.22 2gpy n VAL 150 Cb 0.48 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.45 2gpy n VAL 150 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gpy s ARG 151 N -1.23 2.88 0.26 5.55 1.70 -0.27 -4.88 118.95 122.96 2gpy s ARG 151 Ca 0.00 1.54 -0.30 0.00 -0.47 0.00 0.00 55.73 56.50 2gpy s ARG 151 Cb 0.00 -1.95 -0.14 0.00 -0.57 0.00 0.00 34.95 32.30 2gpy s ARG 151 CO 0.00 -1.21 1.29 -2.30 -1.08 0.00 0.00 175.30 172.00 2gpy n PRO 152 N -2.07 1.84 -0.03 3.89 -0.02 -1.26 -1.02 135.00 136.33 2gpy n PRO 152 Ca 0.11 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2gpy n PRO 152 Cb 0.51 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 2gpy n PRO 152 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gpy n GLY 153 N 1.68 2.26 3.83 -1.23 0.00 0.78 -4.99 105.19 107.52 2gpy n GLY 153 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2gpy n GLY 153 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gpy s GLY 154 N -1.99 1.75 -0.02 -0.02 0.00 -0.19 -4.63 107.32 102.22 2gpy s GLY 154 Ca 0.00 -1.23 0.06 0.00 0.00 0.00 0.00 44.72 43.55 2gpy s GLY 154 CO 0.00 -0.38 -0.20 1.08 0.00 0.00 0.00 173.10 173.61 2gpy s LEU 155 N -6.27 2.04 -0.21 0.66 1.43 -0.20 -1.03 118.68 115.10 2gpy s LEU 155 Ca 0.75 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 53.45 2gpy s LEU 155 Cb -0.04 -1.02 -0.01 0.00 0.03 0.00 0.00 46.19 45.15 2gpy s LEU 155 CO 0.54 0.24 -0.03 -0.63 0.23 0.00 0.00 176.35 176.71 2gpy s ILE 156 N -0.46 3.56 -0.20 -0.59 1.01 -0.03 -0.64 121.20 123.85 2gpy s ILE 156 Ca 0.07 -0.44 -0.05 0.00 0.00 0.00 0.00 60.65 60.23 2gpy s ILE 156 Cb -0.08 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 2gpy s ILE 156 CO -0.01 0.42 0.01 -0.76 0.00 0.00 0.00 174.94 174.61 2gpy s LEU 157 N 1.31 3.37 -0.21 2.97 1.43 0.23 -0.69 118.68 127.09 2gpy s LEU 157 Ca 0.04 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 2gpy s LEU 157 Cb -0.14 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.23 2gpy s LEU 157 CO -0.01 0.09 -0.09 -0.44 0.23 0.00 0.00 176.35 176.13 2gpy s SER 158 N 0.86 3.98 0.58 2.29 0.01 -0.11 -1.20 113.70 120.12 2gpy s SER 158 Ca 0.01 -0.53 -0.13 0.00 1.31 0.00 0.00 55.95 56.61 2gpy s SER 158 Cb -0.14 -1.66 -0.05 0.00 0.21 0.00 0.00 66.02 64.38 2gpy s SER 158 CO 0.02 -0.03 1.01 -0.62 0.41 0.00 0.00 173.24 174.03 2gpy s ASP 159 N 1.41 6.36 -1.27 2.44 2.15 -0.47 -1.16 116.67 126.12 2gpy s ASP 159 Ca 0.05 1.48 -0.06 0.00 0.43 0.00 0.00 52.55 54.45 2gpy s ASP 159 Cb -0.14 -2.48 0.01 0.00 -0.30 0.00 0.00 42.92 40.00 2gpy s ASP 159 CO -0.06 -0.78 0.79 0.59 -0.17 0.00 0.00 175.17 175.54 2gpy n ASN 160 N -2.33 -5.71 0.16 -0.34 3.02 -0.49 -1.17 115.26 108.41 2gpy n ASN 160 Ca 0.06 -0.36 0.11 0.00 -0.03 0.00 0.00 54.58 54.36 2gpy n ASN 160 Cb 0.54 -4.43 0.08 0.00 -0.61 0.00 0.00 39.78 35.36 2gpy n ASN 160 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2gpy h VAL 161 N -1.81 0.04 0.00 2.41 -1.51 -1.40 -3.39 116.25 110.59 2gpy h VAL 161 Ca -0.48 -1.06 -0.29 0.00 -1.23 0.00 0.00 66.70 63.64 2gpy h VAL 161 Cb 1.32 1.79 -0.05 0.00 -2.13 0.00 0.00 31.29 32.22 2gpy h VAL 161 CO 0.49 0.02 -2.11 0.18 -1.23 0.00 0.00 177.57 174.92 2gpy n LEU 162 N -2.91 2.47 -2.37 4.19 4.77 -0.12 -4.93 117.00 118.08 2gpy n LEU 162 Ca 0.02 -0.09 -0.20 0.00 -0.03 0.00 0.00 56.01 55.71 2gpy n LEU 162 Cb 0.55 -0.50 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 2gpy n LEU 162 CO 0.37 0.76 0.12 0.49 -1.33 0.00 0.00 177.39 177.80 2gpy n PHE 163 N -2.99 2.57 0.00 -1.77 3.72 -0.39 -5.00 117.46 113.60 2gpy n PHE 163 Ca -0.33 -2.58 0.00 0.00 -0.05 0.00 0.00 57.45 54.48 2gpy n PHE 163 Cb 0.89 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 2gpy n PHE 163 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2gpy n ASN 188 N -0.54 0.00 -0.35 4.37 3.02 -1.26 -4.66 115.26 115.85 2gpy n ASN 188 Ca 0.33 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.97 2gpy n ASN 188 Cb 0.82 0.00 0.29 0.00 -0.61 0.00 0.00 39.78 40.28 2gpy n ASN 188 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2gpy h GLN 189 N 0.00 0.86 -0.30 3.52 1.08 -2.02 -0.89 115.11 117.35 2gpy h GLN 189 Ca 0.00 -0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 57.04 2gpy h GLN 189 Cb 0.00 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.22 2gpy h GLN 189 CO 0.00 0.57 -0.25 0.11 -0.95 0.00 0.00 178.83 178.31 2gpy h TRP 190 N 0.89 0.67 -0.21 2.96 5.08 -2.04 -2.00 115.95 121.30 2gpy h TRP 190 Ca 0.51 -0.15 -0.06 0.00 1.08 0.00 0.00 58.89 60.27 2gpy h TRP 190 Cb 0.64 -0.16 -0.01 0.00 -3.00 0.00 0.00 29.16 26.63 2gpy h TRP 190 CO -0.00 0.79 -0.11 1.25 -1.28 0.00 0.00 178.44 179.09 2gpy h LEU 191 N 0.52 0.47 -1.69 0.11 5.85 -1.69 -2.63 115.31 116.26 2gpy h LEU 191 Ca 0.07 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 2gpy h LEU 191 Cb 0.71 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 2gpy h LEU 191 CO 0.05 0.79 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.76 2gpy h LEU 192 N 0.16 0.00 -2.64 2.25 3.38 -0.54 -3.05 115.31 114.86 2gpy h LEU 192 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2gpy h LEU 192 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2gpy h LEU 192 CO 0.03 0.11 0.00 -1.84 0.09 0.00 0.00 178.44 176.83 2gpy n GLU 193 N -3.38 2.42 -1.84 1.13 0.28 -0.82 -4.77 120.64 113.67 2gpy n GLU 193 Ca -0.01 -1.69 -0.42 0.00 -0.16 0.00 0.00 57.16 54.88 2gpy n GLU 193 Cb 0.29 -1.16 -0.03 0.00 1.43 0.00 0.00 31.44 31.97 2gpy n GLU 193 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2gpy s HIS 194 N -0.93 1.81 0.33 -1.84 2.46 -0.99 -4.93 115.29 111.20 2gpy s HIS 194 Ca 0.14 -0.05 0.05 0.00 0.47 0.00 0.00 55.06 55.67 2gpy s HIS 194 Cb 0.07 -4.07 0.57 0.00 -0.13 0.00 0.00 32.58 29.02 2gpy s HIS 194 CO 0.10 -4.58 1.83 -1.00 -2.47 0.00 0.00 174.74 168.61 2gpy h PRO 195 N 9.62 0.46 -0.07 2.88 0.13 -1.91 -3.08 132.00 140.03 2gpy h PRO 195 Ca -0.44 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2gpy h PRO 195 Cb 1.21 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2gpy h PRO 195 CO 0.94 0.57 0.00 0.94 -0.23 0.00 0.00 178.00 180.22 2gpy n GLN 196 N -4.23 1.20 -4.20 0.86 7.27 -1.26 -4.81 117.38 112.21 2gpy n GLN 196 Ca 0.01 -0.31 -0.18 0.00 0.07 0.00 0.00 57.00 56.59 2gpy n GLN 196 Cb 0.30 -1.19 -0.12 0.00 2.41 0.00 0.00 30.24 31.63 2gpy n GLN 196 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 2gpy s TYR 197 N -1.91 1.06 -0.42 3.69 1.51 -1.17 -0.36 117.35 119.75 2gpy s TYR 197 Ca 0.18 -0.42 -0.08 0.00 -1.01 0.00 0.00 57.07 55.74 2gpy s TYR 197 Cb 0.09 -0.61 0.08 0.00 -0.11 0.00 0.00 41.96 41.40 2gpy s TYR 197 CO 0.13 0.02 0.25 0.34 -1.11 0.00 0.00 175.55 175.18 2gpy s ASP 198 N -1.43 5.59 -0.11 2.29 -1.08 -0.22 -4.84 116.67 116.88 2gpy s ASP 198 Ca -0.02 -1.55 0.02 0.00 -0.52 0.00 0.00 52.55 50.47 2gpy s ASP 198 Cb -0.09 -1.97 -0.01 0.00 -1.46 0.00 0.00 42.92 39.39 2gpy s ASP 198 CO 0.01 -0.54 -0.17 -0.89 0.52 0.00 0.00 175.17 174.10 2gpy s THR 199 N 1.39 2.69 0.01 1.71 2.01 -1.26 -0.20 115.64 121.99 2gpy s THR 199 Ca 0.03 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.24 2gpy s THR 199 Cb -0.23 -2.08 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 2gpy s THR 199 CO 0.01 0.55 -0.06 -0.13 -0.69 0.00 0.00 174.62 174.30 2gpy s ARG 200 N 0.17 0.42 -0.23 4.92 0.52 -0.87 -4.97 118.95 118.92 2gpy s ARG 200 Ca -0.10 -0.35 -0.13 0.00 -0.52 0.00 0.00 55.73 54.63 2gpy s ARG 200 Cb -0.16 -0.33 -0.04 0.00 0.52 0.00 0.00 34.95 34.94 2gpy s ARG 200 CO 0.06 0.08 0.27 0.42 0.02 0.00 0.00 175.30 176.15 2gpy s ILE 201 N -0.52 5.28 -0.19 1.52 1.01 -1.26 -1.35 121.20 125.69 2gpy s ILE 201 Ca -0.02 0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.94 2gpy s ILE 201 Cb -0.04 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 2gpy s ILE 201 CO -0.00 0.29 0.16 -0.36 0.00 0.00 0.00 174.94 175.03 2gpy s PHE 202 N 1.28 3.43 -1.47 3.97 0.08 0.17 -4.96 117.98 120.47 2gpy s PHE 202 Ca 0.13 0.39 -0.11 0.00 0.12 0.00 0.00 56.93 57.46 2gpy s PHE 202 Cb -0.14 -2.18 0.03 0.00 -0.57 0.00 0.00 43.02 40.16 2gpy s PHE 202 CO 0.07 0.31 2.44 -0.35 -0.10 0.00 0.00 175.22 177.58 2gpy n PRO 203 N 3.43 3.48 -4.49 0.24 -0.04 -1.26 -2.37 135.00 133.98 2gpy n PRO 203 Ca -0.16 -2.72 -0.21 0.00 -0.04 0.00 0.00 63.50 60.37 2gpy n PRO 203 Cb 0.52 -2.99 -0.14 0.00 -0.04 0.00 0.00 33.50 30.85 2gpy n PRO 203 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2gpy s VAL 204 N 1.86 1.07 0.00 0.52 0.11 -1.26 -4.94 120.40 117.76 2gpy s VAL 204 Ca 0.54 -0.75 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 2gpy s VAL 204 Cb 0.15 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 2gpy s VAL 204 CO -0.07 0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.48 2gpy n GLY 205 N 2.38 3.54 1.15 6.54 0.00 -1.26 -1.29 105.19 116.25 2gpy n GLY 205 Ca -0.16 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 45.86 2gpy n GLY 205 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gpy n ASP 206 N 4.82 3.33 -0.06 1.61 8.00 -1.26 -4.91 116.55 128.07 2gpy n ASP 206 Ca 0.00 -2.31 0.00 0.00 0.71 0.00 0.00 54.79 53.19 2gpy n ASP 206 Cb 0.00 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 2gpy n ASP 206 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gpy n GLY 207 N 0.81 -0.14 2.98 0.44 0.00 -0.41 -0.95 105.19 107.92 2gpy n GLY 207 Ca 0.17 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 2gpy n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gpy s ILE 208 N -0.21 1.35 -0.01 -0.61 1.01 -1.00 -1.39 121.20 120.34 2gpy s ILE 208 Ca 0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 60.65 59.95 2gpy s ILE 208 Cb 0.00 -1.29 -0.05 0.00 0.01 0.00 0.00 42.46 41.12 2gpy s ILE 208 CO 0.00 0.42 0.57 0.00 0.00 0.00 0.00 174.94 175.93 2gpy s ALA 209 N 1.48 3.50 -0.29 9.38 0.00 -0.31 -0.66 121.76 134.86 2gpy s ALA 209 Ca 0.03 -0.00 0.01 0.00 0.00 0.00 0.00 51.96 52.00 2gpy s ALA 209 Cb -0.13 -2.71 0.06 0.00 0.00 0.00 0.00 23.12 20.34 2gpy s ALA 209 CO -0.08 0.18 -0.03 0.42 0.00 0.00 0.00 175.76 176.24 2gpy s ILE 210 N -0.21 2.56 -0.28 0.00 1.01 -0.46 -0.93 121.20 122.89 2gpy s ILE 210 Ca 0.30 -1.65 -0.10 0.00 0.00 0.00 0.00 60.65 59.20 2gpy s ILE 210 Cb -0.18 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 2gpy s ILE 210 CO 0.16 -0.16 0.15 -0.44 0.00 0.00 0.00 174.94 174.65 2gpy s SER 211 N 1.18 5.71 -0.26 3.58 0.01 0.13 -2.04 113.70 122.00 2gpy s SER 211 Ca -0.04 -0.15 -0.11 0.00 1.31 0.00 0.00 55.95 56.96 2gpy s SER 211 Cb -0.20 -2.05 -0.05 0.00 0.21 0.00 0.00 66.02 63.93 2gpy s SER 211 CO -0.04 -0.07 0.18 -0.63 0.41 0.00 0.00 173.24 173.09 2gpy s ILE 212 N 1.70 5.34 0.00 1.44 1.01 0.72 -0.85 121.20 130.55 2gpy s ILE 212 Ca 0.07 0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.59 2gpy s ILE 212 Cb -0.16 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 2gpy s ILE 212 CO 0.08 0.30 1.32 -0.75 0.00 0.00 0.00 174.94 175.90 2gpy s LYS 213 N 1.38 4.32 0.66 2.79 2.20 -0.19 -1.05 119.74 129.85 2gpy s LYS 213 Ca 0.07 1.87 -0.12 0.00 -0.36 0.00 0.00 55.97 57.44 2gpy s LYS 213 Cb -0.15 -3.52 -0.01 0.00 -1.51 0.00 0.00 37.83 32.65 2gpy s LYS 213 CO 0.07 -0.49 1.05 1.03 -0.36 0.00 0.00 175.35 176.65 2gpy s ARG 214 N 2.10 3.11 0.00 4.03 0.52 0.51 -0.16 118.95 129.06 2gpy s ARG 214 Ca 0.61 0.99 0.00 0.00 -0.52 0.00 0.00 55.73 56.81 2gpy s ARG 214 Cb -0.30 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.16 2gpy s ARG 214 CO 0.26 -0.96 0.00 -1.91 0.02 0.00 0.00 175.30 172.70 2gpy n GLU 215 N -2.81 0.00 -3.62 3.54 2.13 -1.26 -4.54 120.64 114.07 2gpy n GLU 215 Ca 0.08 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.85 2gpy n GLU 215 Cb 0.53 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.20 2gpy n GLU 215 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2gpy s GLU 226 N 0.00 0.22 0.00 5.31 -1.05 -1.26 -5.12 118.70 116.80 2gpy s GLU 226 Ca 0.00 0.04 0.00 0.00 -0.15 0.00 0.00 54.97 54.86 2gpy s GLU 226 Cb 0.00 0.10 0.00 0.00 -0.44 0.00 0.00 34.13 33.79 2gpy s GLU 226 CO 0.00 -0.07 0.00 0.41 0.95 0.00 0.00 175.26 176.55 2gpy n GLY 227 N 0.51 1.08 0.37 -3.83 0.00 -1.26 -4.82 105.19 97.24 2gpy n GLY 227 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.14 2gpy n GLY 227 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2gpy h HIS 228 N 0.00 0.00 -0.91 1.61 3.86 -2.07 0.27 115.15 117.91 2gpy h HIS 228 Ca 0.00 0.00 0.24 0.00 -1.16 0.00 0.00 60.37 59.45 2gpy h HIS 228 Cb 0.00 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.42 2gpy h HIS 228 CO 0.00 0.00 0.63 0.45 0.86 0.00 0.00 177.93 179.87 2gpy h HIS 229 N 0.00 0.29 -0.18 2.45 -0.00 -1.98 -2.62 115.15 113.10 2gpy h HIS 229 Ca 0.09 0.01 -0.11 0.00 -0.00 0.00 0.00 60.37 60.36 2gpy h HIS 229 Cb 1.26 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 28.57 2gpy h HIS 229 CO 0.00 0.06 -0.37 1.25 -0.00 0.00 0.00 177.93 178.88 2gpy h HIS 230 N 0.21 0.46 -3.89 2.45 2.76 -0.76 -3.29 115.15 113.09 2gpy h HIS 230 Ca 0.46 -0.12 -0.53 0.00 -2.20 0.00 0.00 60.37 57.98 2gpy h HIS 230 Cb 1.47 -0.10 0.20 0.00 1.55 0.00 0.00 27.41 30.52 2gpy h HIS 230 CO -0.00 0.71 -0.06 0.72 -1.30 0.00 0.00 177.93 178.00 2gpy n HIS 231 N -4.05 0.07 0.00 5.26 8.25 -0.99 -3.71 115.22 120.05 2gpy n HIS 231 Ca -0.01 0.34 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 2gpy n HIS 231 Cb 0.47 -1.95 0.00 0.00 1.12 0.00 0.00 29.99 29.63 2gpy n HIS 231 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2gpy n HIS 232 N -3.68 0.00 -0.28 4.41 -0.00 -1.26 -5.04 115.22 109.36 2gpy n HIS 232 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 2gpy n HIS 232 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 2gpy n HIS 232 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06