#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vkg n PRO 16 N 0.00 -0.69 -4.46 7.34 -0.02 -1.26 -4.52 135.00 131.38 1vkg n PRO 16 Ca 0.00 -0.17 -0.31 0.00 -2.02 0.00 0.00 63.50 61.00 1vkg n PRO 16 Cb 0.00 -1.86 -0.11 0.00 -0.02 0.00 0.00 33.50 31.51 1vkg n PRO 16 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1vkg s VAL 17 N -2.37 3.34 -0.14 -1.45 1.01 -1.03 0.21 120.40 119.97 1vkg s VAL 17 Ca 0.58 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1vkg s VAL 17 Cb -0.19 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 33.75 1vkg s VAL 17 CO 0.66 0.31 -0.11 -0.47 0.00 0.00 0.00 175.10 175.50 1vkg s TYR 18 N -1.03 1.91 -0.71 5.22 5.04 0.13 -1.11 117.35 126.80 1vkg s TYR 18 Ca 0.17 -1.06 -0.19 0.00 -2.44 0.00 0.00 57.07 53.55 1vkg s TYR 18 Cb -0.11 -1.45 0.11 0.00 0.35 0.00 0.00 41.96 40.86 1vkg s TYR 18 CO 0.08 -0.61 0.88 0.42 -1.34 0.00 0.00 175.55 174.98 1vkg s ILE 19 N 1.57 4.72 0.10 3.14 -1.09 -0.95 -0.72 121.20 127.97 1vkg s ILE 19 Ca 0.04 -1.08 0.06 0.00 -2.23 0.00 0.00 60.65 57.45 1vkg s ILE 19 Cb -0.13 -4.61 -0.03 0.00 -1.58 0.00 0.00 42.46 36.10 1vkg s ILE 19 CO -0.10 -1.30 -0.15 -0.47 -1.23 0.00 0.00 174.94 171.69 1vkg s TYR 20 N 2.86 1.42 -0.29 3.97 5.04 -0.97 -4.87 117.35 124.51 1vkg s TYR 20 Ca 0.20 -0.50 -0.15 0.00 -2.44 0.00 0.00 57.07 54.18 1vkg s TYR 20 Cb -0.16 -0.76 0.14 0.00 0.35 0.00 0.00 41.96 41.53 1vkg s TYR 20 CO 0.02 0.13 0.90 0.45 -1.34 0.00 0.00 175.55 175.72 1vkg s SER 21 N -2.13 -0.67 0.28 4.32 0.15 -1.26 -4.11 113.70 110.27 1vkg s SER 21 Ca 0.05 0.99 -0.02 0.00 0.70 0.00 0.00 55.95 57.68 1vkg s SER 21 Cb -0.07 1.54 0.61 0.00 -1.71 0.00 0.00 66.02 66.39 1vkg s SER 21 CO 0.03 -0.15 1.45 -2.65 1.20 0.00 0.00 173.24 173.13 1vkg n PRO 22 N 4.48 -0.08 0.07 5.44 -0.02 -1.26 0.07 135.00 143.69 1vkg n PRO 22 Ca -0.14 1.41 -0.00 0.00 -2.02 0.00 0.00 63.50 62.75 1vkg n PRO 22 Cb 0.55 -2.20 0.30 0.00 -0.02 0.00 0.00 33.50 32.13 1vkg n PRO 22 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1vkg h GLU 23 N 0.00 0.35 -0.01 -0.52 3.07 -1.99 -0.26 114.58 115.22 1vkg h GLU 23 Ca 0.52 -0.10 -0.23 0.00 -0.50 0.00 0.00 59.36 59.04 1vkg h GLU 23 Cb 0.99 -0.04 0.02 0.00 -0.84 0.00 0.00 28.75 28.88 1vkg h GLU 23 CO -0.90 0.53 -0.91 -0.92 -1.40 0.00 0.00 179.01 175.40 1vkg h TYR 24 N 0.32 0.94 -0.09 4.33 3.20 -0.74 -1.87 116.97 123.05 1vkg h TYR 24 Ca 0.06 -0.50 -0.04 0.00 3.14 0.00 0.00 58.73 61.39 1vkg h TYR 24 Cb 0.51 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 1vkg h TYR 24 CO 0.01 1.33 -0.09 0.28 -1.64 0.00 0.00 178.16 178.06 1vkg h VAL 25 N 0.28 1.36 -0.98 1.81 2.07 -0.76 -0.47 116.25 119.57 1vkg h VAL 25 Ca -0.11 -1.25 0.11 0.00 0.82 0.00 0.00 66.70 66.27 1vkg h VAL 25 Cb 1.58 1.99 -0.08 0.00 -1.52 0.00 0.00 31.29 33.25 1vkg h VAL 25 CO 0.18 0.35 0.61 0.28 0.02 0.00 0.00 177.57 179.01 1vkg h SER 26 N -0.19 0.91 0.25 0.57 0.02 -1.11 -1.24 113.55 112.77 1vkg h SER 26 Ca 0.01 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1vkg h SER 26 Cb 0.61 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 1vkg h SER 26 CO 0.02 0.51 -0.19 -0.03 -1.14 0.00 0.00 176.83 176.00 1vkg h MET 27 N 1.00 -0.41 0.00 3.45 -1.53 -1.03 -2.92 114.93 113.50 1vkg h MET 27 Ca 0.47 0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.76 1vkg h MET 27 Cb 0.41 0.09 0.00 0.00 -0.55 0.00 0.00 31.60 31.55 1vkg h MET 27 CO -0.24 -0.27 0.05 0.00 0.14 0.00 0.00 176.91 176.58 1vkg n ASP 29 N -1.29 3.87 0.00 0.00 8.00 -0.51 -4.51 116.55 122.12 1vkg n ASP 29 Ca 0.00 -2.42 0.00 0.00 0.71 0.00 0.00 54.79 53.08 1vkg n ASP 29 Cb 0.05 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 1vkg n ASP 29 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1vkg n SER 30 N 0.51 0.00 -0.07 -2.24 3.41 -0.84 -4.01 113.62 110.37 1vkg n SER 30 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1vkg n SER 30 Cb 0.72 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 1vkg n SER 30 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1vkg n LEU 31 N -2.07 0.00 0.00 1.04 4.77 -1.26 -2.78 117.00 116.69 1vkg n LEU 31 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1vkg n LEU 31 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1vkg n LEU 31 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 1vkg n ALA 32 N 0.04 0.00 -1.16 -1.18 0.00 -1.26 0.17 120.51 117.12 1vkg n ALA 32 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1vkg n ALA 32 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 1vkg n ALA 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1vkg n LYS 33 N 0.00 2.81 -3.38 0.00 4.81 -1.26 -4.89 118.16 116.25 1vkg n LYS 33 Ca 0.00 -3.03 -0.43 0.00 -0.87 0.00 0.00 58.31 53.98 1vkg n LYS 33 Cb 0.00 -1.97 -0.09 0.00 0.02 0.00 0.00 35.03 32.99 1vkg n LYS 33 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1vkg s ILE 34 N -3.03 5.17 0.33 3.15 1.09 0.13 -5.06 121.20 122.98 1vkg s ILE 34 Ca 0.48 -0.64 -0.19 0.00 -1.10 0.00 0.00 60.65 59.20 1vkg s ILE 34 Cb 0.40 -4.03 -0.09 0.00 -1.06 0.00 0.00 42.46 37.67 1vkg s ILE 34 CO 0.08 -0.44 0.82 -2.16 -0.10 0.00 0.00 174.94 173.14 1vkg s PRO 35 N 1.88 4.19 0.00 2.79 0.04 -1.26 -4.08 135.00 138.56 1vkg s PRO 35 Ca 0.08 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1vkg s PRO 35 Cb -0.20 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1vkg s PRO 35 CO 0.11 0.18 0.00 1.63 0.04 0.00 0.00 177.00 178.95 1vkg n LYS 36 N -0.08 0.00 -0.09 4.56 5.02 -1.26 -4.54 118.16 121.78 1vkg n LYS 36 Ca 0.03 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.37 1vkg n LYS 36 Cb 0.52 -0.88 0.39 0.00 -0.02 0.00 0.00 35.03 35.05 1vkg n LYS 36 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1vkg h ARG 37 N 1.77 0.64 -0.66 1.97 2.43 -1.90 -2.88 114.38 115.76 1vkg h ARG 37 Ca 0.00 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1vkg h ARG 37 Cb 0.00 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 1vkg h ARG 37 CO 0.00 0.42 0.23 0.00 -1.51 0.00 0.00 179.97 179.11 1vkg h ALA 38 N 1.67 1.17 -0.06 2.80 0.00 -1.80 -2.51 119.26 120.53 1vkg h ALA 38 Ca 0.23 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1vkg h ALA 38 Cb 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1vkg h ALA 38 CO -0.06 0.59 -0.67 0.77 0.00 0.00 0.00 179.25 179.88 1vkg h SER 39 N 0.96 0.32 -0.08 0.00 0.02 -1.82 -2.64 113.55 110.31 1vkg h SER 39 Ca 0.22 -0.20 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1vkg h SER 39 Cb 0.23 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1vkg h SER 39 CO -0.01 0.89 -0.03 0.24 -1.14 0.00 0.00 176.83 176.78 1vkg h MET 40 N 0.19 -0.02 -0.17 3.45 2.07 -1.44 0.46 114.93 119.47 1vkg h MET 40 Ca -0.02 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.61 1vkg h MET 40 Cb 1.20 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.93 1vkg h MET 40 CO 0.11 -0.01 0.07 0.28 1.07 0.00 0.00 176.91 178.42 1vkg h VAL 41 N -0.02 1.15 0.61 -2.22 2.07 -1.46 -1.50 116.25 114.88 1vkg h VAL 41 Ca 0.04 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 1vkg h VAL 41 Cb 0.09 1.14 0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1vkg h VAL 41 CO -0.10 0.15 -0.29 -0.74 0.02 0.00 0.00 177.57 176.61 1vkg h HIS 42 N 0.13 -0.76 -1.00 1.57 2.76 -1.25 -1.56 115.15 115.04 1vkg h HIS 42 Ca 0.06 -0.02 0.34 0.00 -2.20 0.00 0.00 60.37 58.55 1vkg h HIS 42 Cb 0.17 0.25 -0.18 0.00 1.55 0.00 0.00 27.41 29.19 1vkg h HIS 42 CO -0.01 -0.42 0.28 1.03 -1.30 0.00 0.00 177.93 177.50 1vkg h SER 43 N -1.02 -0.09 0.04 3.26 0.87 -0.05 0.47 113.55 117.03 1vkg h SER 43 Ca -0.08 0.27 -0.19 0.00 -1.23 0.00 0.00 61.79 60.56 1vkg h SER 43 Cb 0.68 0.38 0.02 0.00 -0.44 0.00 0.00 62.40 63.04 1vkg h SER 43 CO 0.14 -0.39 -0.77 0.25 -0.53 0.00 0.00 176.83 175.52 1vkg h LEU 44 N 0.01 0.61 -0.60 2.23 5.85 -1.07 0.81 115.31 123.14 1vkg h LEU 44 Ca 0.72 -0.80 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1vkg h LEU 44 Cb 1.72 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.53 1vkg h LEU 44 CO -0.85 1.34 0.37 0.40 -0.34 0.00 0.00 178.44 179.36 1vkg h ILE 45 N -0.04 1.17 0.30 4.05 2.04 0.09 0.23 117.51 125.35 1vkg h ILE 45 Ca -0.11 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1vkg h ILE 45 Cb 1.49 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1vkg h ILE 45 CO 0.15 0.17 -0.14 -0.08 0.00 0.00 0.00 178.15 178.25 1vkg h GLU 46 N 0.81 -0.39 -0.93 2.37 4.81 -0.22 0.56 114.58 121.60 1vkg h GLU 46 Ca 0.22 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 59.59 1vkg h GLU 46 Cb -0.04 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.35 1vkg h GLU 46 CO -0.04 -0.25 0.56 0.00 -0.73 0.00 0.00 179.01 178.55 1vkg h ALA 47 N 0.29 1.38 -0.04 2.92 0.00 -0.13 0.40 119.26 124.09 1vkg h ALA 47 Ca -0.04 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1vkg h ALA 47 Cb 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1vkg h ALA 47 CO 0.07 0.16 0.00 0.66 0.00 0.00 0.00 179.25 180.14 1vkg n TYR 48 N -4.68 0.04 -2.07 0.00 4.01 0.73 -4.88 117.16 110.32 1vkg n TYR 48 Ca 0.17 -0.02 -0.17 0.00 -0.16 0.00 0.00 57.90 57.72 1vkg n TYR 48 Cb 0.33 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.34 1vkg n TYR 48 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1vkg n ALA 49 N -0.47 -0.43 -0.12 -0.72 0.00 0.14 -4.92 120.51 114.00 1vkg n ALA 49 Ca 0.18 0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.69 1vkg n ALA 49 Cb 0.18 -1.86 -0.02 0.00 0.00 0.00 0.00 19.45 17.74 1vkg n ALA 49 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1vkg h LEU 50 N 0.00 0.59 -1.02 0.00 3.38 -1.10 -3.01 115.31 114.15 1vkg h LEU 50 Ca -0.39 -0.31 0.38 0.00 0.09 0.00 0.00 57.88 57.65 1vkg h LEU 50 Cb 1.24 -0.16 -0.16 0.00 0.09 0.00 0.00 40.66 41.67 1vkg h LEU 50 CO 0.49 0.76 0.57 1.12 0.09 0.00 0.00 178.44 181.47 1vkg h HIS 51 N 0.42 0.86 -0.21 1.13 2.07 -1.87 0.42 115.15 117.97 1vkg h HIS 51 Ca 0.10 0.04 0.06 0.00 -2.85 0.00 0.00 60.37 57.72 1vkg h HIS 51 Cb 0.45 -0.21 -0.01 0.00 2.57 0.00 0.00 27.41 30.21 1vkg h HIS 51 CO 0.04 -0.33 0.25 0.87 -3.07 0.00 0.00 177.93 175.68 1vkg h LYS 52 N 0.15 0.00 -0.69 5.12 1.79 -1.88 -0.41 116.57 120.66 1vkg h LYS 52 Ca 0.80 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.27 1vkg h LYS 52 Cb 2.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.66 1vkg h LYS 52 CO -0.68 0.00 0.00 1.04 -1.08 0.00 0.00 179.45 178.73 1vkg n GLN 53 N -3.73 3.29 -4.64 3.15 6.02 0.15 -4.92 117.38 116.70 1vkg n GLN 53 Ca 0.02 -2.73 -0.31 0.00 -0.01 0.00 0.00 57.00 53.98 1vkg n GLN 53 Cb 0.38 -1.76 -0.07 0.00 1.02 0.00 0.00 30.24 29.81 1vkg n GLN 53 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1vkg n MET 54 N 1.32 0.68 -4.20 -1.09 2.81 -0.16 -4.51 117.12 111.97 1vkg n MET 54 Ca 0.25 -3.70 -0.34 0.00 -1.81 0.00 0.00 57.70 52.09 1vkg n MET 54 Cb 0.77 1.33 -0.12 0.00 -0.71 0.00 0.00 33.22 34.49 1vkg n MET 54 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1vkg s ARG 55 N -3.78 3.62 -0.18 0.03 3.52 0.13 -4.94 118.95 117.36 1vkg s ARG 55 Ca 0.07 -0.53 -0.13 0.00 -0.13 0.00 0.00 55.73 55.02 1vkg s ARG 55 Cb 0.00 -3.01 -0.05 0.00 -1.56 0.00 0.00 34.95 30.34 1vkg s ARG 55 CO 0.05 0.09 0.27 0.42 -0.81 0.00 0.00 175.30 175.32 1vkg s ILE 56 N 0.77 5.32 0.00 4.11 1.01 -1.26 0.22 121.20 131.37 1vkg s ILE 56 Ca -0.01 0.48 0.06 0.00 0.00 0.00 0.00 60.65 61.18 1vkg s ILE 56 Cb -0.14 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 1vkg s ILE 56 CO 0.02 0.38 -0.19 -0.69 0.00 0.00 0.00 174.94 174.46 1vkg s VAL 57 N 0.57 1.50 -0.13 2.92 1.01 0.10 -4.91 120.40 121.45 1vkg s VAL 57 Ca 0.15 -0.89 -0.20 0.00 0.00 0.00 0.00 61.98 61.03 1vkg s VAL 57 Cb -0.13 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1vkg s VAL 57 CO 0.03 0.35 0.56 -0.75 0.00 0.00 0.00 175.10 175.29 1vkg s LYS 58 N -0.63 4.31 1.14 2.72 2.20 -1.26 -2.28 119.74 125.94 1vkg s LYS 58 Ca 0.07 0.56 -0.14 0.00 -0.36 0.00 0.00 55.97 56.10 1vkg s LYS 58 Cb -0.08 -3.48 0.26 0.00 -1.51 0.00 0.00 37.83 33.02 1vkg s LYS 58 CO -0.00 0.02 1.05 -1.25 -0.36 0.00 0.00 175.35 174.81 1vkg s PRO 59 N 1.06 -0.69 0.47 4.03 0.04 -1.26 -5.00 135.00 133.64 1vkg s PRO 59 Ca 0.29 0.55 0.04 0.00 0.04 0.00 0.00 61.00 61.92 1vkg s PRO 59 Cb -0.16 -1.60 -0.03 0.00 0.04 0.00 0.00 34.50 32.75 1vkg s PRO 59 CO 0.12 -3.49 0.07 -1.59 0.04 0.00 0.00 177.00 172.15 1vkg s LYS 60 N -4.78 2.14 0.31 4.56 -2.85 -1.26 -4.98 119.74 112.88 1vkg s LYS 60 Ca 0.68 -2.20 0.06 0.00 -1.00 0.00 0.00 55.97 53.51 1vkg s LYS 60 Cb -0.20 -1.69 -0.02 0.00 -2.06 0.00 0.00 37.83 33.86 1vkg s LYS 60 CO 0.61 -0.26 0.40 0.08 0.10 0.00 0.00 175.35 176.28 1vkg s VAL 61 N -2.78 4.24 0.19 1.79 1.01 -1.26 -3.55 120.40 120.04 1vkg s VAL 61 Ca 0.22 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 1vkg s VAL 61 Cb 0.04 -3.46 -0.06 0.00 0.00 0.00 0.00 36.38 32.90 1vkg s VAL 61 CO 0.12 -0.21 0.44 0.00 0.00 0.00 0.00 175.10 175.45 1vkg s ALA 62 N -2.16 3.73 0.19 5.51 0.00 0.35 -4.68 121.76 124.70 1vkg s ALA 62 Ca 0.41 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 51.88 1vkg s ALA 62 Cb -0.09 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 1vkg s ALA 62 CO 0.29 0.53 0.21 -1.54 0.00 0.00 0.00 175.76 175.26 1vkg s SER 63 N -2.65 5.78 0.33 0.00 1.04 -1.26 -4.85 113.70 112.08 1vkg s SER 63 Ca 0.42 -0.08 0.10 0.00 0.48 0.00 0.00 55.95 56.87 1vkg s SER 63 Cb -0.12 -1.57 1.00 0.00 0.10 0.00 0.00 66.02 65.43 1vkg s SER 63 CO 0.26 0.02 1.59 -0.03 0.98 0.00 0.00 173.24 176.05 1vkg h MET 64 N 1.95 0.04 -0.37 4.02 4.05 -1.99 0.50 114.93 123.13 1vkg h MET 64 Ca -0.49 -0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 58.80 1vkg h MET 64 Cb 1.21 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 32.00 1vkg h MET 64 CO 0.63 0.02 -0.27 1.05 0.23 0.00 0.00 176.91 178.58 1vkg h GLU 65 N 0.04 0.84 -0.29 0.39 9.09 -1.97 0.15 114.58 122.83 1vkg h GLU 65 Ca 0.70 -0.40 -0.01 0.00 0.05 0.00 0.00 59.36 59.69 1vkg h GLU 65 Cb 1.64 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.72 1vkg h GLU 65 CO -0.83 1.04 0.12 0.93 0.05 0.00 0.00 179.01 180.33 1vkg h GLU 66 N 0.63 0.42 -0.52 1.06 5.08 -0.48 -2.51 114.58 118.27 1vkg h GLU 66 Ca 0.07 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1vkg h GLU 66 Cb 0.84 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1vkg h GLU 66 CO 0.07 0.43 0.32 0.52 -1.00 0.00 0.00 179.01 179.35 1vkg h MET 67 N 0.32 0.71 0.00 2.33 2.86 -0.91 -1.33 114.93 118.92 1vkg h MET 67 Ca 0.10 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1vkg h MET 67 Cb 0.16 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1vkg h MET 67 CO -0.01 0.51 0.15 0.00 1.06 0.00 0.00 176.91 178.62 1vkg h ALA 68 N 1.16 1.12 -0.86 6.32 0.00 -0.41 0.62 119.26 127.20 1vkg h ALA 68 Ca 0.19 0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.26 1vkg h ALA 68 Cb -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1vkg h ALA 68 CO -0.04 -0.12 0.56 1.15 0.00 0.00 0.00 179.25 180.81 1vkg h THR 69 N 0.00 0.77 0.00 0.00 2.02 -0.80 -3.26 112.91 111.64 1vkg h THR 69 Ca 0.00 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1vkg h THR 69 Cb 0.30 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1vkg h THR 69 CO 0.00 0.10 -1.05 0.33 0.37 0.00 0.00 175.52 175.27 1vkg n PHE 70 N -4.53 0.00 -3.46 3.16 7.35 0.01 -5.08 117.46 114.91 1vkg n PHE 70 Ca 0.17 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.65 1vkg n PHE 70 Cb 0.56 -0.04 -0.01 0.00 0.35 0.00 0.00 39.48 40.34 1vkg n PHE 70 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1vkg s HIS 71 N -2.02 3.34 0.08 -5.13 3.76 -0.07 -4.60 115.29 110.66 1vkg s HIS 71 Ca -0.01 0.11 -0.27 0.00 -0.15 0.00 0.00 55.06 54.74 1vkg s HIS 71 Cb 0.00 -1.93 -0.06 0.00 1.11 0.00 0.00 32.58 31.70 1vkg s HIS 71 CO 0.03 0.06 0.86 0.95 -0.85 0.00 0.00 174.74 175.79 1vkg s THR 72 N -2.26 4.60 0.47 1.30 -4.23 -0.65 -4.35 115.64 110.53 1vkg s THR 72 Ca 0.41 1.85 0.27 0.00 -1.18 0.00 0.00 61.69 63.04 1vkg s THR 72 Cb -0.10 -4.22 0.46 0.00 1.34 0.00 0.00 72.50 69.99 1vkg s THR 72 CO 0.34 0.35 1.81 0.44 -0.54 0.00 0.00 174.62 177.02 1vkg h ASP 73 N 5.55 0.21 0.25 3.99 3.32 -1.92 0.33 116.42 128.16 1vkg h ASP 73 Ca -0.44 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 1vkg h ASP 73 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1vkg h ASP 73 CO 0.71 0.04 -0.12 0.00 -1.72 0.00 0.00 179.24 178.15 1vkg h ALA 74 N 1.54 -0.34 0.60 3.45 0.00 -1.97 -0.10 119.26 122.43 1vkg h ALA 74 Ca 0.55 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1vkg h ALA 74 Cb 1.78 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 1vkg h ALA 74 CO -0.14 -0.65 -0.45 -0.92 0.00 0.00 0.00 179.25 177.09 1vkg h TYR 75 N -0.42 -1.23 -0.93 0.00 3.20 -0.78 0.20 116.97 117.01 1vkg h TYR 75 Ca -0.03 -0.00 0.27 0.00 3.14 0.00 0.00 58.73 62.10 1vkg h TYR 75 Cb 0.32 0.46 -0.14 0.00 1.54 0.00 0.00 36.73 38.90 1vkg h TYR 75 CO -0.04 -0.64 0.37 -0.07 -1.64 0.00 0.00 178.16 176.14 1vkg h LEU 76 N -1.01 0.20 -0.40 2.82 3.38 -0.86 0.25 115.31 119.70 1vkg h LEU 76 Ca -0.08 0.20 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 1vkg h LEU 76 Cb 0.84 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1vkg h LEU 76 CO 0.02 -0.15 -0.76 1.56 0.09 0.00 0.00 178.44 179.21 1vkg h GLN 77 N 0.26 0.00 0.01 1.13 4.20 -0.60 -1.10 115.11 119.01 1vkg h GLN 77 Ca 0.62 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.33 1vkg h GLN 77 Cb 1.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.11 1vkg h GLN 77 CO -0.64 0.76 -0.00 1.25 -0.67 0.00 0.00 178.83 179.52 1vkg h HIS 78 N 0.00 -0.01 -0.14 2.96 2.76 0.16 -0.41 115.15 120.47 1vkg h HIS 78 Ca -0.01 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.20 1vkg h HIS 78 Cb 1.39 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.32 1vkg h HIS 78 CO 0.00 0.28 -0.10 1.25 -1.30 0.00 0.00 177.93 178.06 1vkg h LEU 79 N -0.31 -0.31 -0.38 0.26 5.85 -1.34 -0.88 115.31 118.19 1vkg h LEU 79 Ca -0.00 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.87 1vkg h LEU 79 Cb 0.30 0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.40 1vkg h LEU 79 CO 0.00 -0.13 -0.28 -0.61 -0.34 0.00 0.00 178.44 177.08 1vkg h GLN 80 N -0.10 -0.21 0.41 1.25 4.15 -0.97 -0.29 115.11 119.34 1vkg h GLN 80 Ca 0.09 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 1vkg h GLN 80 Cb 0.23 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 1vkg h GLN 80 CO -0.20 -0.14 -0.29 -0.22 -1.93 0.00 0.00 178.83 176.04 1vkg h LYS 81 N -0.22 -0.65 -0.50 1.69 3.64 -0.42 -3.12 116.57 116.99 1vkg h LYS 81 Ca 0.18 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.70 1vkg h LYS 81 Cb 0.51 0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 32.37 1vkg h LYS 81 CO -0.51 -0.43 -0.22 0.28 -2.27 0.00 0.00 179.45 176.30 1vkg h VAL 82 N -0.67 0.34 0.00 2.00 2.07 -1.09 0.87 116.25 119.77 1vkg h VAL 82 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1vkg h VAL 82 Cb 0.55 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1vkg h VAL 82 CO 0.03 0.00 0.57 -1.28 0.02 0.00 0.00 177.57 176.91 1vkg h SER 83 N -0.11 0.00 0.04 0.57 0.87 -0.99 0.67 113.55 114.60 1vkg h SER 83 Ca 0.23 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.44 1vkg h SER 83 Cb 0.47 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.39 1vkg h SER 83 CO -0.57 0.00 -1.99 1.67 -0.53 0.00 0.00 176.83 175.41 1vkg n GLN 84 N -2.24 0.65 0.22 2.24 7.27 0.27 -0.91 117.38 124.88 1vkg n GLN 84 Ca -0.01 0.33 -0.09 0.00 0.07 0.00 0.00 57.00 57.30 1vkg n GLN 84 Cb 0.59 -1.64 -0.04 0.00 2.41 0.00 0.00 30.24 31.56 1vkg n GLN 84 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1vkg h GLU 85 N -0.47 -0.59 0.00 3.69 5.08 0.47 -3.48 114.58 119.28 1vkg h GLU 85 Ca -0.49 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1vkg h GLU 85 Cb 1.71 0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.10 1vkg h GLU 85 CO -0.14 -0.39 0.00 0.41 -1.00 0.00 0.00 179.01 177.89 1vkg n GLY 86 N 0.05 0.47 3.50 -3.84 0.00 0.41 -4.80 105.19 100.97 1vkg n GLY 86 Ca -0.08 -2.18 -0.44 0.00 0.00 0.00 0.00 46.02 43.33 1vkg n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vkg s ASP 87 N -4.00 6.95 0.00 1.61 3.68 -1.26 -4.67 116.67 118.98 1vkg s ASP 87 Ca 0.00 -2.70 0.00 0.00 2.13 0.00 0.00 52.55 51.98 1vkg s ASP 87 Cb 0.00 -2.46 0.00 0.00 -1.45 0.00 0.00 42.92 39.01 1vkg s ASP 87 CO 0.00 -0.92 0.67 0.47 0.13 0.00 0.00 175.17 175.51 1vkg n ASP 88 N 6.64 0.69 -1.66 -0.34 8.00 -1.26 -5.08 116.55 123.54 1vkg n ASP 88 Ca 0.39 -1.34 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1vkg n ASP 88 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 1vkg n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vkg n ALA 104 N -0.17 -2.43 -3.00 2.24 0.00 -1.26 -5.09 120.51 110.80 1vkg n ALA 104 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1vkg n ALA 104 Cb 0.41 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1vkg n ALA 104 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1vkg n THR 105 N 1.10 0.00 -3.35 0.00 5.66 -1.26 -4.91 114.28 111.51 1vkg n THR 105 Ca 0.00 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.80 1vkg n THR 105 Cb 0.00 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1vkg n THR 105 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1vkg s GLU 106 N 2.13 2.57 0.00 1.09 8.01 -1.26 -4.13 118.70 127.11 1vkg s GLU 106 Ca 0.00 -1.50 0.00 0.00 0.01 0.00 0.00 54.97 53.48 1vkg s GLU 106 Cb 0.00 -2.50 0.00 0.00 -4.31 0.00 0.00 34.13 27.32 1vkg s GLU 106 CO 0.00 -0.34 0.00 0.41 0.01 0.00 0.00 175.26 175.34 1vkg n GLY 107 N -1.75 1.97 0.04 -1.39 0.00 -0.09 -4.84 105.19 99.14 1vkg n GLY 107 Ca 0.06 -0.25 0.02 0.00 0.00 0.00 0.00 46.02 45.84 1vkg n GLY 107 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1vkg n ILE 108 N 0.00 -0.04 -0.03 -0.61 -5.35 -1.26 0.22 119.36 112.29 1vkg n ILE 108 Ca 0.00 0.23 -0.13 0.00 -0.27 0.00 0.00 62.75 62.58 1vkg n ILE 108 Cb 0.00 -0.34 -0.08 0.00 -1.74 0.00 0.00 39.64 37.48 1vkg n ILE 108 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 1vkg h PHE 109 N 0.00 0.17 0.22 4.28 3.57 -1.88 -0.78 116.94 122.52 1vkg h PHE 109 Ca 0.07 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1vkg h PHE 109 Cb 0.14 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.84 1vkg h PHE 109 CO -0.05 0.53 -0.11 -0.44 -2.23 0.00 0.00 178.31 176.01 1vkg h ASP 110 N -0.24 -0.25 -0.10 0.41 5.19 0.23 0.56 116.42 122.22 1vkg h ASP 110 Ca 0.01 -0.04 0.04 0.00 -0.62 0.00 0.00 57.03 56.42 1vkg h ASP 110 Cb 0.49 0.07 -0.06 0.00 0.18 0.00 0.00 39.33 40.00 1vkg h ASP 110 CO 0.01 -0.13 -0.43 0.22 -3.12 0.00 0.00 179.24 175.80 1vkg h TYR 111 N -0.36 -1.23 -0.08 4.55 5.03 -0.62 0.23 116.97 124.49 1vkg h TYR 111 Ca -0.03 0.05 0.04 0.00 2.58 0.00 0.00 58.73 61.36 1vkg h TYR 111 Cb 0.28 0.55 -0.06 0.00 1.55 0.00 0.00 36.73 39.05 1vkg h TYR 111 CO -0.04 -0.49 -0.41 0.00 -1.32 0.00 0.00 178.16 175.89 1vkg h ALA 112 N 0.05 -0.61 -0.13 1.82 0.00 -0.99 0.47 119.26 119.86 1vkg h ALA 112 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1vkg h ALA 112 Cb 0.64 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1vkg h ALA 112 CO -0.38 -0.93 -0.06 0.00 0.00 0.00 0.00 179.25 177.88 1vkg h ALA 113 N 0.07 1.66 0.17 0.00 0.00 -0.56 0.33 119.26 120.93 1vkg h ALA 113 Ca 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1vkg h ALA 113 Cb 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1vkg h ALA 113 CO -0.36 0.25 -0.08 0.00 0.00 0.00 0.00 179.25 179.06 1vkg h ALA 114 N 1.76 -0.23 -0.64 0.00 0.00 0.30 0.23 119.26 120.68 1vkg h ALA 114 Ca 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1vkg h ALA 114 Cb 0.23 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1vkg h ALA 114 CO 0.01 -0.37 0.32 0.82 0.00 0.00 0.00 179.25 180.03 1vkg h ILE 115 N -0.75 1.22 0.30 0.00 2.04 -0.83 0.29 117.51 119.78 1vkg h ILE 115 Ca -0.02 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1vkg h ILE 115 Cb 0.51 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1vkg h ILE 115 CO 0.04 0.25 -0.35 1.23 0.00 0.00 0.00 178.15 179.32 1vkg h GLY 116 N 0.87 -0.78 -0.41 5.37 0.00 -0.33 -1.33 103.07 106.46 1vkg h GLY 116 Ca 0.22 0.40 0.25 0.00 0.00 0.00 0.00 47.33 48.20 1vkg h GLY 116 CO -0.03 -0.28 0.32 -1.33 0.00 0.00 0.00 176.54 175.22 1vkg h GLY 117 N -0.69 1.52 0.99 4.60 0.00 -0.29 0.16 103.07 109.36 1vkg h GLY 117 Ca -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1vkg h GLY 117 CO -0.09 -0.37 0.32 0.00 0.00 0.00 0.00 176.54 176.40 1vkg h ALA 118 N 1.78 0.79 -0.25 3.60 0.00 0.14 -0.50 119.26 124.82 1vkg h ALA 118 Ca 0.58 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.27 1vkg h ALA 118 Cb 1.20 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1vkg h ALA 118 CO -0.62 0.33 -0.28 1.15 0.00 0.00 0.00 179.25 179.83 1vkg h THR 119 N 0.84 1.31 -0.35 0.00 2.02 0.04 -1.91 112.91 114.87 1vkg h THR 119 Ca 0.21 -1.45 0.07 0.00 0.77 0.00 0.00 66.41 66.01 1vkg h THR 119 Cb 0.08 1.67 -0.06 0.00 -1.74 0.00 0.00 68.15 68.10 1vkg h THR 119 CO -0.03 0.46 -0.07 0.40 0.37 0.00 0.00 175.52 176.65 1vkg h ILE 120 N 0.35 0.67 0.36 3.11 2.04 -0.92 0.39 117.51 123.50 1vkg h ILE 120 Ca 0.04 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1vkg h ILE 120 Cb 0.85 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1vkg h ILE 120 CO 0.07 0.00 -0.29 0.74 0.00 0.00 0.00 178.15 178.67 1vkg h THR 121 N 0.02 0.40 -0.71 -0.27 2.02 -1.01 -0.17 112.91 113.19 1vkg h THR 121 Ca 0.17 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.47 1vkg h THR 121 Cb 0.25 0.40 -0.13 0.00 -1.74 0.00 0.00 68.15 66.93 1vkg h THR 121 CO -0.34 0.00 -0.31 0.00 0.37 0.00 0.00 175.52 175.24 1vkg h ALA 122 N -0.11 0.13 -0.78 6.16 0.00 -0.48 0.65 119.26 124.83 1vkg h ALA 122 Ca -0.03 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1vkg h ALA 122 Cb 0.57 0.78 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 1vkg h ALA 122 CO -0.01 -0.60 0.46 0.00 0.00 0.00 0.00 179.25 179.09 1vkg h ALA 123 N 1.25 1.00 -0.87 0.00 0.00 -0.65 -2.27 119.26 117.72 1vkg h ALA 123 Ca 0.29 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1vkg h ALA 123 Cb 0.56 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1vkg h ALA 123 CO -0.76 0.48 0.44 0.37 0.00 0.00 0.00 179.25 179.78 1vkg h GLN 124 N 1.08 1.24 -0.45 0.00 5.75 0.94 0.26 115.11 123.93 1vkg h GLN 124 Ca 0.28 -0.17 0.06 0.00 -0.15 0.00 0.00 58.65 58.67 1vkg h GLN 124 Cb -0.02 -0.23 -0.05 0.00 1.07 0.00 0.00 27.48 28.25 1vkg h GLN 124 CO -0.05 0.93 0.16 0.00 -2.65 0.00 0.00 178.83 177.22 1vkg h LEU 126 N 0.32 -0.27 -1.22 0.00 3.38 -0.86 -1.37 115.31 115.30 1vkg h LEU 126 Ca 0.21 0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.40 1vkg h LEU 126 Cb 0.22 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 1vkg h LEU 126 CO -0.22 -0.14 0.61 0.40 0.09 0.00 0.00 178.44 179.17 1vkg h ILE 127 N -0.19 0.73 -0.02 1.22 1.08 -0.02 0.24 117.51 120.57 1vkg h ILE 127 Ca 0.02 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 1vkg h ILE 127 Cb 0.21 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 33.98 1vkg h ILE 127 CO -0.07 0.12 0.00 0.47 -0.69 0.00 0.00 178.15 177.98 1vkg n ASP 128 N -4.63 0.24 -3.67 1.72 8.00 0.10 -4.85 116.55 113.45 1vkg n ASP 128 Ca 0.21 -1.34 -0.25 0.00 0.71 0.00 0.00 54.79 54.12 1vkg n ASP 128 Cb 0.59 -0.01 0.07 0.00 -0.02 0.00 0.00 41.12 41.74 1vkg n ASP 128 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vkg n GLY 129 N 0.90 -0.52 0.11 0.44 0.00 0.86 -4.85 105.19 102.12 1vkg n GLY 129 Ca 0.17 0.24 -0.17 0.00 0.00 0.00 0.00 46.02 46.25 1vkg n GLY 129 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1vkg h MET 130 N -2.52 0.28 0.00 1.61 -1.53 -1.43 -3.48 114.93 107.85 1vkg h MET 130 Ca -0.57 -0.48 -0.17 0.00 -3.44 0.00 0.00 59.70 55.03 1vkg h MET 130 Cb 1.37 0.18 -0.04 0.00 -0.55 0.00 0.00 31.60 32.56 1vkg h MET 130 CO 0.58 1.17 -0.05 0.00 0.14 0.00 0.00 176.91 178.75 1vkg n LYS 132 N -0.43 0.49 -4.54 0.00 5.02 -1.26 -4.63 118.16 112.80 1vkg n LYS 132 Ca -0.01 -0.06 -0.22 0.00 -2.02 0.00 0.00 58.31 56.00 1vkg n LYS 132 Cb 0.45 -1.15 -0.15 0.00 -0.02 0.00 0.00 35.03 34.16 1vkg n LYS 132 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1vkg s VAL 133 N -2.44 0.98 -0.08 -0.18 1.01 -1.26 0.10 120.40 118.53 1vkg s VAL 133 Ca -0.02 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1vkg s VAL 133 Cb 0.05 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.61 1vkg s VAL 133 CO 0.30 0.29 -0.09 0.00 0.00 0.00 0.00 175.10 175.59 1vkg s ALA 134 N -0.09 1.20 -0.09 5.51 0.00 -0.55 -2.47 121.76 125.27 1vkg s ALA 134 Ca 0.01 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 1vkg s ALA 134 Cb -0.07 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 1vkg s ALA 134 CO 0.00 -0.16 -0.02 0.42 0.00 0.00 0.00 175.76 176.00 1vkg s ILE 135 N 1.21 4.11 -0.44 0.00 1.01 -0.27 -0.43 121.20 126.40 1vkg s ILE 135 Ca -0.05 -0.32 0.06 0.00 0.00 0.00 0.00 60.65 60.35 1vkg s ILE 135 Cb -0.14 -2.73 0.22 0.00 0.01 0.00 0.00 42.46 39.82 1vkg s ILE 135 CO -0.02 0.58 0.63 -3.20 0.00 0.00 0.00 174.94 172.93 1vkg n ASN 136 N 2.39 -1.47 0.17 3.58 5.15 -0.66 -2.25 115.26 122.17 1vkg n ASN 136 Ca -0.18 -2.86 0.08 0.00 -0.60 0.00 0.00 54.58 51.03 1vkg n ASN 136 Cb 0.53 0.51 0.45 0.00 -0.53 0.00 0.00 39.78 40.74 1vkg n ASN 136 CO 0.00 0.00 0.00 -0.50 1.40 0.00 0.00 177.26 178.16 1vkg h TRP 137 N 4.46 0.00 -0.42 1.20 -0.00 -1.90 -1.65 115.95 117.64 1vkg h TRP 137 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.93 1vkg h TRP 137 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.13 1vkg h TRP 137 CO 0.20 0.00 0.00 0.43 -0.00 0.00 0.00 178.44 179.07 1vkg n SER 138 N -2.15 2.45 -2.43 -3.49 7.64 -1.26 -3.23 113.62 111.15 1vkg n SER 138 Ca -0.01 -1.96 -0.04 0.00 1.01 0.00 0.00 58.87 57.87 1vkg n SER 138 Cb 0.24 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1vkg n SER 138 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vkg n GLY 139 N 1.25 2.77 0.00 0.23 0.00 -0.62 -4.90 105.19 103.92 1vkg n GLY 139 Ca 0.16 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1vkg n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vkg n GLY 140 N 3.98 1.90 2.49 -0.02 0.00 -1.26 -2.66 105.19 109.62 1vkg n GLY 140 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1vkg n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1vkg n TRP 141 N -0.74 2.44 0.00 1.61 7.02 -1.26 -4.68 117.44 121.83 1vkg n TRP 141 Ca 0.00 -2.67 0.00 0.00 -1.02 0.00 0.00 57.50 53.81 1vkg n TRP 141 Cb 0.00 -1.74 0.00 0.00 -2.42 0.00 0.00 31.31 27.15 1vkg n TRP 141 CO 0.00 0.00 0.00 -2.39 -2.02 0.00 0.00 177.69 173.28 1vkg n HIS 142 N 1.53 0.00 0.25 -5.99 1.44 -1.26 -3.05 115.22 108.13 1vkg n HIS 142 Ca 0.60 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 56.39 1vkg n HIS 142 Cb 0.30 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.30 1vkg n HIS 142 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1vkg n HIS 143 N -0.66 0.00 -1.94 -1.40 8.25 -1.26 -1.74 115.22 116.47 1vkg n HIS 143 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 1vkg n HIS 143 Cb 0.00 -0.23 0.03 0.00 1.12 0.00 0.00 29.99 30.90 1vkg n HIS 143 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vkg s ALA 144 N -2.86 2.85 0.42 -1.41 0.00 -1.17 -4.20 121.76 115.38 1vkg s ALA 144 Ca -0.02 1.20 0.08 0.00 0.00 0.00 0.00 51.96 53.22 1vkg s ALA 144 Cb 0.11 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 1vkg s ALA 144 CO 0.65 -1.15 0.38 0.15 0.00 0.00 0.00 175.76 175.79 1vkg s LYS 145 N -2.86 2.54 0.29 0.00 -0.14 -0.00 -4.36 119.74 115.21 1vkg s LYS 145 Ca 0.69 -1.53 0.04 0.00 -1.36 0.00 0.00 55.97 53.81 1vkg s LYS 145 Cb -0.36 -2.38 0.46 0.00 -1.68 0.00 0.00 37.83 33.86 1vkg s LYS 145 CO 0.43 -0.20 1.74 1.57 -0.76 0.00 0.00 175.35 178.13 1vkg h LYS 146 N 1.02 0.41 0.00 1.68 2.10 -1.92 -3.23 116.57 116.62 1vkg h LYS 146 Ca -0.41 -0.15 -0.06 0.00 -2.00 0.00 0.00 60.65 58.03 1vkg h LYS 146 Cb 1.27 -0.02 -0.12 0.00 -0.90 0.00 0.00 32.23 32.45 1vkg h LYS 146 CO 0.57 0.65 -0.58 -0.40 -2.00 0.00 0.00 179.45 177.69 1vkg n ASP 147 N -4.12 1.34 -3.66 7.07 3.85 -1.26 -1.63 116.55 118.14 1vkg n ASP 147 Ca -0.01 -2.88 -0.14 0.00 -0.71 0.00 0.00 54.79 51.05 1vkg n ASP 147 Cb 0.41 -0.39 -0.08 0.00 -1.35 0.00 0.00 41.12 39.71 1vkg n ASP 147 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1vkg s GLU 148 N -1.68 0.72 0.56 0.11 2.12 -1.22 -4.92 118.70 114.39 1vkg s GLU 148 Ca 0.30 0.78 -0.06 0.00 0.36 0.00 0.00 54.97 56.35 1vkg s GLU 148 Cb 0.30 0.35 -0.01 0.00 0.26 0.00 0.00 34.13 35.03 1vkg s GLU 148 CO -0.07 -0.10 0.87 0.00 -0.54 0.00 0.00 175.26 175.42 1vkg s ALA 149 N 0.21 3.31 -0.21 6.30 0.00 -1.26 -0.82 121.76 129.29 1vkg s ALA 149 Ca -0.01 -0.58 -0.28 0.00 0.00 0.00 0.00 51.96 51.10 1vkg s ALA 149 Cb -0.04 -2.64 0.11 0.00 0.00 0.00 0.00 23.12 20.55 1vkg s ALA 149 CO 0.01 -0.65 0.96 0.45 0.00 0.00 0.00 175.76 176.53 1vkg s SER 150 N -4.23 -0.47 -1.53 0.00 0.15 0.29 -4.78 113.70 103.13 1vkg s SER 150 Ca 0.52 0.73 -0.04 0.00 0.70 0.00 0.00 55.95 57.86 1vkg s SER 150 Cb -0.10 0.68 0.03 0.00 -1.71 0.00 0.00 66.02 64.92 1vkg s SER 150 CO 0.46 -0.28 0.29 0.61 1.20 0.00 0.00 173.24 175.52 1vkg n GLY 151 N 1.57 -0.21 3.49 9.45 0.00 -1.26 -0.36 105.19 117.86 1vkg n GLY 151 Ca -0.12 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1vkg n GLY 151 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vkg n PHE 152 N -4.45 0.00 -3.40 1.61 3.01 -1.26 -4.89 117.46 108.07 1vkg n PHE 152 Ca -0.25 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 57.84 1vkg n PHE 152 Cb 0.66 -0.59 -0.07 0.00 -0.01 0.00 0.00 39.48 39.47 1vkg n PHE 152 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1vkg n TYR 154 N 4.07 0.00 -4.26 0.00 4.02 -1.26 -0.55 117.16 119.17 1vkg n TYR 154 Ca -0.09 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.54 1vkg n TYR 154 Cb 0.51 -0.83 -0.08 0.00 -0.02 0.00 0.00 39.34 38.92 1vkg n TYR 154 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1vkg s LEU 155 N -6.80 3.11 -0.89 7.72 2.96 -1.26 -4.62 118.68 118.91 1vkg s LEU 155 Ca -0.31 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 53.06 1vkg s LEU 155 Cb 0.10 -1.76 0.22 0.00 0.50 0.00 0.00 46.19 45.25 1vkg s LEU 155 CO 0.45 0.08 0.77 0.21 -1.32 0.00 0.00 176.35 176.55 1vkg s ASN 156 N -2.99 5.97 0.00 3.68 3.84 -1.26 -4.68 114.94 119.49 1vkg s ASN 156 Ca 0.27 -3.73 0.01 0.00 0.21 0.00 0.00 52.86 49.61 1vkg s ASN 156 Cb -0.09 -1.90 0.03 0.00 -0.55 0.00 0.00 41.25 38.75 1vkg s ASN 156 CO 0.17 -0.18 0.96 -0.90 -2.79 0.00 0.00 177.10 174.36 1vkg n ASP 157 N 2.31 0.00 -0.06 -4.21 5.68 -1.26 -2.04 116.55 116.97 1vkg n ASP 157 Ca 0.21 0.43 -0.21 0.00 -0.50 0.00 0.00 54.79 54.73 1vkg n ASP 157 Cb 0.37 -0.44 -0.13 0.00 -1.14 0.00 0.00 41.12 39.79 1vkg n ASP 157 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1vkg h ALA 158 N 2.03 0.25 0.44 2.12 0.00 -1.90 -3.21 119.26 118.99 1vkg h ALA 158 Ca 0.00 -1.15 -0.01 0.00 0.00 0.00 0.00 54.91 53.75 1vkg h ALA 158 Cb 0.01 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1vkg h ALA 158 CO 0.00 0.77 -0.50 0.28 0.00 0.00 0.00 179.25 179.79 1vkg h VAL 159 N -0.67 0.02 -1.00 0.00 2.07 -1.81 0.93 116.25 115.79 1vkg h VAL 159 Ca -0.32 0.00 0.35 0.00 0.82 0.00 0.00 66.70 67.55 1vkg h VAL 159 Cb 1.50 0.02 -0.16 0.00 -1.52 0.00 0.00 31.29 31.13 1vkg h VAL 159 CO -0.08 0.00 0.55 -0.07 0.02 0.00 0.00 177.57 177.99 1vkg h LEU 160 N -0.96 0.45 -0.39 2.57 3.38 -1.64 0.96 115.31 119.68 1vkg h LEU 160 Ca -0.05 0.21 -0.18 0.00 0.09 0.00 0.00 57.88 57.95 1vkg h LEU 160 Cb 0.85 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1vkg h LEU 160 CO -0.10 -0.22 -0.67 1.23 0.09 0.00 0.00 178.44 178.77 1vkg h GLY 161 N 0.23 0.61 0.78 0.83 0.00 -1.21 -2.04 103.07 102.26 1vkg h GLY 161 Ca 0.76 -0.80 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 1vkg h GLY 161 CO -0.66 0.71 -0.01 -2.22 0.00 0.00 0.00 176.54 174.36 1vkg h ILE 162 N 0.39 1.13 -0.06 2.60 2.04 0.31 -1.89 117.51 122.04 1vkg h ILE 162 Ca -0.02 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.35 1vkg h ILE 162 Cb 1.25 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1vkg h ILE 162 CO 0.12 0.13 0.15 -0.07 0.00 0.00 0.00 178.15 178.48 1vkg h LEU 163 N -0.26 0.00 0.00 1.44 3.38 -0.41 0.10 115.31 119.57 1vkg h LEU 163 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1vkg h LEU 163 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1vkg h LEU 163 CO 0.01 0.00 -0.91 -0.09 0.09 0.00 0.00 178.44 177.54 1vkg h ARG 164 N 0.00 0.00 0.00 1.13 9.65 -0.62 -3.25 114.38 121.29 1vkg h ARG 164 Ca 0.03 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.79 1vkg h ARG 164 Cb 0.32 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.88 1vkg h ARG 164 CO -0.00 0.42 -0.57 -0.07 2.80 0.00 0.00 179.97 182.55 1vkg h LEU 165 N 0.00 0.00 -0.16 3.80 3.38 -0.10 -3.26 115.31 118.97 1vkg h LEU 165 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1vkg h LEU 165 Cb 1.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 1vkg h LEU 165 CO 0.06 0.57 0.00 0.54 0.09 0.00 0.00 178.44 179.70 1vkg n ARG 166 N -3.25 0.37 -0.03 1.13 5.12 -0.81 -0.36 116.66 118.83 1vkg n ARG 166 Ca 0.02 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.72 1vkg n ARG 166 Cb 0.76 -1.03 -0.13 0.00 -1.16 0.00 0.00 32.46 30.90 1vkg n ARG 166 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1vkg n ARG 167 N -0.37 0.70 -0.12 5.56 1.74 -1.23 -4.62 116.66 118.32 1vkg n ARG 167 Ca 0.00 0.35 -0.24 0.00 -0.77 0.00 0.00 57.85 57.19 1vkg n ARG 167 Cb 0.01 -1.71 -0.08 0.00 -1.02 0.00 0.00 32.46 29.66 1vkg n ARG 167 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1vkg n LYS 168 N -3.77 0.52 -2.73 5.56 4.81 -1.09 -5.00 118.16 116.45 1vkg n LYS 168 Ca -0.33 0.23 -0.31 0.00 -0.87 0.00 0.00 58.31 57.03 1vkg n LYS 168 Cb 0.94 -1.38 -0.04 0.00 0.02 0.00 0.00 35.03 34.58 1vkg n LYS 168 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1vkg s PHE 169 N -2.50 3.45 -0.15 5.64 0.40 0.51 -5.02 117.98 120.31 1vkg s PHE 169 Ca -0.34 1.22 -0.12 0.00 -0.60 0.00 0.00 56.93 57.10 1vkg s PHE 169 Cb 0.12 -2.58 -0.07 0.00 0.51 0.00 0.00 43.02 41.01 1vkg s PHE 169 CO 0.43 -0.17 -0.26 -1.91 0.70 0.00 0.00 175.22 174.01 1vkg n GLU 170 N -1.27 0.41 -3.57 0.44 4.07 -1.26 -4.01 120.64 115.44 1vkg n GLU 170 Ca 0.04 0.17 -0.40 0.00 -0.06 0.00 0.00 57.16 56.91 1vkg n GLU 170 Cb 0.54 -1.20 -0.11 0.00 -0.06 0.00 0.00 31.44 30.61 1vkg n GLU 170 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1vkg s ARG 171 N -2.52 3.17 -0.07 5.31 0.52 -1.25 -4.61 118.95 119.50 1vkg s ARG 171 Ca -0.25 -0.85 0.01 0.00 -0.52 0.00 0.00 55.73 54.12 1vkg s ARG 171 Cb 0.07 -3.74 -0.03 0.00 0.52 0.00 0.00 34.95 31.77 1vkg s ARG 171 CO 0.34 -0.56 -0.06 0.42 0.02 0.00 0.00 175.30 175.46 1vkg s ILE 172 N 1.64 3.77 -0.06 1.52 -1.09 -0.51 -0.72 121.20 125.74 1vkg s ILE 172 Ca 0.04 -0.47 0.04 0.00 -2.23 0.00 0.00 60.65 58.03 1vkg s ILE 172 Cb -0.18 -2.55 -0.02 0.00 -1.58 0.00 0.00 42.46 38.13 1vkg s ILE 172 CO 0.08 0.59 -0.17 -0.22 -1.23 0.00 0.00 174.94 173.98 1vkg s LEU 173 N -0.86 2.54 -0.15 2.97 2.96 -1.02 -1.48 118.68 123.65 1vkg s LEU 173 Ca 0.13 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 1vkg s LEU 173 Cb -0.11 -1.51 0.02 0.00 0.50 0.00 0.00 46.19 45.09 1vkg s LEU 173 CO 0.02 0.30 -0.19 -0.47 -1.32 0.00 0.00 176.35 174.69 1vkg s TYR 174 N -0.47 2.50 -0.07 5.38 5.04 0.00 -1.24 117.35 128.48 1vkg s TYR 174 Ca 0.06 -1.35 0.01 0.00 -2.44 0.00 0.00 57.07 53.35 1vkg s TYR 174 Cb -0.12 -1.74 -0.03 0.00 0.35 0.00 0.00 41.96 40.42 1vkg s TYR 174 CO 0.02 -0.66 -0.10 0.08 -1.34 0.00 0.00 175.55 173.55 1vkg s VAL 175 N 1.11 3.43 -0.28 3.14 1.01 -0.43 -0.08 120.40 128.30 1vkg s VAL 175 Ca -0.01 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 1vkg s VAL 175 Cb -0.14 -2.40 0.08 0.00 0.00 0.00 0.00 36.38 33.93 1vkg s VAL 175 CO -0.07 0.58 0.05 -0.62 0.00 0.00 0.00 175.10 175.04 1vkg s ASP 176 N -0.57 3.87 -0.55 3.32 -1.08 0.33 -1.51 116.67 120.49 1vkg s ASP 176 Ca 0.08 -1.46 0.01 0.00 -0.52 0.00 0.00 52.55 50.67 1vkg s ASP 176 Cb -0.12 -0.96 0.50 0.00 -1.46 0.00 0.00 42.92 40.89 1vkg s ASP 176 CO 0.02 -0.36 1.87 0.18 0.52 0.00 0.00 175.17 177.40 1vkg n LEU 177 N 4.78 6.89 -4.79 -1.34 4.77 -0.24 -2.26 117.00 124.82 1vkg n LEU 177 Ca -0.05 -4.16 -0.36 0.00 -0.03 0.00 0.00 56.01 51.41 1vkg n LEU 177 Cb 0.43 -0.85 -0.07 0.00 -2.33 0.00 0.00 43.42 40.60 1vkg n LEU 177 CO 0.14 1.44 -0.21 -0.62 -1.33 0.00 0.00 177.39 176.82 1vkg s ASP 178 N -1.99 6.06 0.17 -1.43 3.68 -1.26 -4.36 116.67 117.55 1vkg s ASP 178 Ca 0.60 0.32 0.12 0.00 2.13 0.00 0.00 52.55 55.72 1vkg s ASP 178 Cb 0.48 -1.96 0.60 0.00 -1.45 0.00 0.00 42.92 40.59 1vkg s ASP 178 CO 0.02 0.33 0.65 -0.11 0.13 0.00 0.00 175.17 176.19 1vkg n LEU 179 N 2.51 0.11 -4.96 -1.34 7.94 -1.26 -4.48 117.00 115.51 1vkg n LEU 179 Ca -0.19 0.61 -0.22 0.00 -1.11 0.00 0.00 56.01 55.10 1vkg n LEU 179 Cb 0.54 -0.30 -0.02 0.00 0.53 0.00 0.00 43.42 44.17 1vkg n LEU 179 CO 0.32 -0.67 0.02 -1.00 -1.11 0.00 0.00 177.39 174.95 1vkg s HIS 180 N -4.40 3.47 0.02 1.96 3.76 -1.26 -0.89 115.29 117.95 1vkg s HIS 180 Ca -0.03 0.11 -0.30 0.00 -0.15 0.00 0.00 55.06 54.68 1vkg s HIS 180 Cb 0.13 -1.68 -0.04 0.00 1.11 0.00 0.00 32.58 32.10 1vkg s HIS 180 CO 0.33 0.35 1.15 -1.58 -0.85 0.00 0.00 174.74 174.15 1vkg s HIS 181 N -2.05 3.43 -1.24 1.40 2.46 -1.26 -4.79 115.29 113.24 1vkg s HIS 181 Ca 0.36 1.37 -0.10 0.00 0.47 0.00 0.00 55.06 57.16 1vkg s HIS 181 Cb -0.09 -3.35 0.19 0.00 -0.13 0.00 0.00 32.58 29.19 1vkg s HIS 181 CO 0.31 -1.01 1.72 0.41 -2.47 0.00 0.00 174.74 173.70 1vkg n GLY 182 N 3.18 4.52 0.15 1.59 0.00 -1.26 -4.74 105.19 108.63 1vkg n GLY 182 Ca 0.09 -2.17 -0.12 0.00 0.00 0.00 0.00 46.02 43.82 1vkg n GLY 182 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1vkg h ASP 183 N 6.01 0.42 -0.80 1.61 -0.00 -1.91 -2.84 116.42 118.92 1vkg h ASP 183 Ca 0.35 -0.36 0.17 0.00 -0.00 0.00 0.00 57.03 57.18 1vkg h ASP 183 Cb 0.68 -0.11 -0.05 0.00 -0.00 0.00 0.00 39.33 39.84 1vkg h ASP 183 CO 1.49 0.68 0.53 1.23 -0.00 0.00 0.00 179.24 183.18 1vkg h GLY 184 N 0.15 0.74 1.07 7.15 0.00 -1.51 0.35 103.07 111.03 1vkg h GLY 184 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1vkg h GLY 184 CO 0.02 0.04 -0.78 -2.08 0.00 0.00 0.00 176.54 173.74 1vkg h VAL 185 N 0.41 0.00 0.00 4.60 2.07 -1.62 -2.73 116.25 118.97 1vkg h VAL 185 Ca 0.40 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1vkg h VAL 185 Cb 0.96 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1vkg h VAL 185 CO -0.13 0.00 -0.23 -0.08 0.02 0.00 0.00 177.57 177.14 1vkg h GLU 186 N 0.00 0.00 -0.66 1.57 4.81 -0.24 -3.29 114.58 116.77 1vkg h GLU 186 Ca 0.00 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1vkg h GLU 186 Cb 0.84 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.12 1vkg h GLU 186 CO 0.00 0.36 -0.50 0.22 -0.73 0.00 0.00 179.01 178.36 1vkg h ASP 187 N -1.00 -1.75 -1.29 1.04 1.82 -0.65 0.17 116.42 114.77 1vkg h ASP 187 Ca -0.04 0.27 0.42 0.00 -0.39 0.00 0.00 57.03 57.30 1vkg h ASP 187 Cb 0.49 0.77 -0.13 0.00 0.68 0.00 0.00 39.33 41.14 1vkg h ASP 187 CO -0.02 -0.33 0.82 0.00 -1.61 0.00 0.00 179.24 178.10 1vkg h ALA 188 N 0.48 2.66 -0.14 -0.78 0.00 -1.61 -0.83 119.26 119.04 1vkg h ALA 188 Ca 0.16 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1vkg h ALA 188 Cb 0.54 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1vkg h ALA 188 CO -0.75 -1.30 0.00 1.19 0.00 0.00 0.00 179.25 178.40 1vkg n PHE 189 N -4.73 0.43 -0.25 0.00 3.01 0.44 -4.80 117.46 111.56 1vkg n PHE 189 Ca 0.37 -0.83 0.26 0.00 1.01 0.00 0.00 57.45 58.25 1vkg n PHE 189 Cb 1.39 -0.19 0.63 0.00 -0.01 0.00 0.00 39.48 41.30 1vkg n PHE 189 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1vkg h SER 190 N 0.95 0.20 -0.72 4.37 0.02 0.32 -2.81 113.55 115.88 1vkg h SER 190 Ca 0.00 0.03 -0.48 0.00 -0.84 0.00 0.00 61.79 60.50 1vkg h SER 190 Cb 1.09 -0.01 -0.29 0.00 0.14 0.00 0.00 62.40 63.33 1vkg h SER 190 CO 0.09 0.06 -0.04 0.49 -1.14 0.00 0.00 176.83 176.29 1vkg n PHE 191 N -4.40 2.41 -3.99 3.45 3.01 -1.26 -0.70 117.46 115.99 1vkg n PHE 191 Ca 0.21 -2.26 -0.11 0.00 1.01 0.00 0.00 57.45 56.30 1vkg n PHE 191 Cb 0.92 -0.74 -0.12 0.00 -0.01 0.00 0.00 39.48 39.52 1vkg n PHE 191 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 1vkg s THR 192 N -4.21 0.20 -0.20 4.37 -1.32 -1.06 -4.33 115.64 109.09 1vkg s THR 192 Ca 0.53 -0.63 0.16 0.00 -1.21 0.00 0.00 61.69 60.55 1vkg s THR 192 Cb 0.44 -0.27 0.61 0.00 -1.51 0.00 0.00 72.50 71.77 1vkg s THR 192 CO 0.02 -0.28 1.52 -1.54 -2.21 0.00 0.00 174.62 172.12 1vkg n SER 193 N 2.11 4.38 0.05 8.08 3.41 -1.26 -4.26 113.62 126.13 1vkg n SER 193 Ca -0.19 -3.01 0.08 0.00 -0.26 0.00 0.00 58.87 55.49 1vkg n SER 193 Cb 0.57 -0.59 -0.08 0.00 -0.26 0.00 0.00 64.21 63.85 1vkg n SER 193 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1vkg n LYS 194 N -0.22 0.63 -4.60 4.33 4.76 -1.26 -4.86 118.16 116.94 1vkg n LYS 194 Ca 0.23 0.03 -0.23 0.00 -2.87 0.00 0.00 58.31 55.47 1vkg n LYS 194 Cb 0.98 -1.71 -0.16 0.00 -1.84 0.00 0.00 35.03 32.31 1vkg n LYS 194 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1vkg s VAL 195 N -3.30 1.09 -0.10 -0.18 1.01 -1.26 -1.43 120.40 116.23 1vkg s VAL 195 Ca -0.04 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.45 1vkg s VAL 195 Cb 0.11 -0.96 0.01 0.00 0.00 0.00 0.00 36.38 35.54 1vkg s VAL 195 CO 0.83 0.33 -0.19 -0.32 0.00 0.00 0.00 175.10 175.75 1vkg s MET 196 N 0.17 2.53 -0.10 2.72 1.75 -0.55 -4.85 119.30 120.98 1vkg s MET 196 Ca -0.04 -0.69 -0.02 0.00 -1.25 0.00 0.00 55.69 53.69 1vkg s MET 196 Cb -0.10 -2.01 -0.03 0.00 2.84 0.00 0.00 34.83 35.52 1vkg s MET 196 CO 0.01 0.05 -0.02 0.95 -0.65 0.00 0.00 175.02 175.37 1vkg s THR 197 N 0.65 4.13 -0.08 10.11 -4.23 -1.12 -0.82 115.64 124.28 1vkg s THR 197 Ca -0.13 -0.31 0.02 0.00 -1.18 0.00 0.00 61.69 60.09 1vkg s THR 197 Cb -0.16 -2.74 0.01 0.00 1.34 0.00 0.00 72.50 70.95 1vkg s THR 197 CO 0.03 0.58 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.87 1vkg s VAL 198 N -0.59 1.26 -0.02 2.29 1.01 0.89 -0.18 120.40 125.06 1vkg s VAL 198 Ca 0.09 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1vkg s VAL 198 Cb -0.12 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1vkg s VAL 198 CO 0.02 0.39 -0.06 -0.55 0.00 0.00 0.00 175.10 174.90 1vkg s SER 199 N 0.82 0.92 -0.11 3.32 0.15 -0.77 -0.52 113.70 117.52 1vkg s SER 199 Ca -0.11 -0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.39 1vkg s SER 199 Cb -0.15 -0.28 -0.03 0.00 -1.71 0.00 0.00 66.02 63.85 1vkg s SER 199 CO 0.02 0.02 -0.07 -0.76 1.20 0.00 0.00 173.24 173.65 1vkg s LEU 200 N 0.36 3.11 0.00 3.45 1.02 -0.96 -0.48 118.68 125.18 1vkg s LEU 200 Ca -0.05 -0.12 -0.14 0.00 0.02 0.00 0.00 54.13 53.84 1vkg s LEU 200 Cb -0.09 -1.71 0.05 0.00 0.02 0.00 0.00 46.19 44.47 1vkg s LEU 200 CO 0.00 0.26 0.72 0.00 0.02 0.00 0.00 176.35 177.35 1vkg n HIS 201 N 2.93 -1.58 -3.72 0.29 1.44 -0.95 -4.38 115.22 109.25 1vkg n HIS 201 Ca -0.18 -1.19 -0.37 0.00 -2.01 0.00 0.00 57.72 53.97 1vkg n HIS 201 Cb 0.53 0.59 -0.06 0.00 0.12 0.00 0.00 29.99 31.17 1vkg n HIS 201 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 1vkg s LYS 202 N -2.05 3.64 -0.14 -1.40 2.20 -0.07 -0.36 119.74 121.56 1vkg s LYS 202 Ca 0.15 0.08 -0.02 0.00 -0.36 0.00 0.00 55.97 55.82 1vkg s LYS 202 Cb -0.03 -3.18 0.04 0.00 -1.51 0.00 0.00 37.83 33.16 1vkg s LYS 202 CO 0.06 0.72 0.02 0.12 -0.36 0.00 0.00 175.35 175.91 1vkg s PHE 203 N -1.10 0.88 -0.24 4.03 2.19 -0.97 -4.76 117.98 118.00 1vkg s PHE 203 Ca 0.21 -0.54 -0.19 0.00 0.33 0.00 0.00 56.93 56.73 1vkg s PHE 203 Cb -0.14 -0.94 0.07 0.00 -1.31 0.00 0.00 43.02 40.70 1vkg s PHE 203 CO 0.10 -0.48 0.63 -1.12 1.83 0.00 0.00 175.22 176.18 1vkg s SER 204 N 1.90 -0.74 -0.76 6.13 0.01 -1.26 -4.78 113.70 114.21 1vkg s SER 204 Ca 0.02 1.32 -0.31 0.00 1.31 0.00 0.00 55.95 58.29 1vkg s SER 204 Cb -0.15 1.28 -0.19 0.00 0.21 0.00 0.00 66.02 67.17 1vkg s SER 204 CO -0.07 -0.22 2.25 -2.65 0.41 0.00 0.00 173.24 172.96 1vkg n PRO 205 N 3.36 0.00 0.00 12.44 -0.02 -1.26 -0.55 135.00 148.97 1vkg n PRO 205 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1vkg n PRO 205 Cb 0.57 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 1vkg n PRO 205 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vkg n GLY 206 N 6.02 0.99 3.69 -1.23 0.00 -1.26 -5.07 105.19 108.34 1vkg n GLY 206 Ca 0.56 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.18 1vkg n GLY 206 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1vkg s PHE 207 N -2.02 3.47 0.65 1.61 5.36 0.29 -4.99 117.98 122.35 1vkg s PHE 207 Ca 0.00 1.01 -0.17 0.00 -0.96 0.00 0.00 56.93 56.82 1vkg s PHE 207 Cb 0.00 -2.73 -0.00 0.00 -0.34 0.00 0.00 43.02 39.95 1vkg s PHE 207 CO 0.00 0.00 1.18 0.12 -1.46 0.00 0.00 175.22 175.06 1vkg s PHE 208 N 1.21 2.34 0.22 10.12 5.36 -1.26 -1.73 117.98 134.24 1vkg s PHE 208 Ca 0.31 1.56 0.36 0.00 -0.96 0.00 0.00 56.93 58.19 1vkg s PHE 208 Cb -0.16 -3.39 1.57 0.00 -0.34 0.00 0.00 43.02 40.69 1vkg s PHE 208 CO 0.13 -2.18 2.06 -1.00 -1.46 0.00 0.00 175.22 172.76 1vkg h PRO 209 N 0.29 0.00 0.00 10.12 0.13 -1.93 -3.43 132.00 137.18 1vkg h PRO 209 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1vkg h PRO 209 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1vkg h PRO 209 CO 0.53 0.01 0.00 0.41 -0.23 0.00 0.00 178.00 178.72 1vkg n GLY 210 N -0.19 1.65 3.40 1.56 0.00 -0.71 -5.07 105.19 105.84 1vkg n GLY 210 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1vkg n GLY 210 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1vkg n THR 211 N -0.97 0.00 0.00 2.61 -2.24 -1.26 -4.83 114.28 107.59 1vkg n THR 211 Ca 0.00 -1.69 0.00 0.00 -2.27 0.00 0.00 64.05 60.09 1vkg n THR 211 Cb 0.00 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 1vkg n THR 211 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vkg n GLY 212 N -1.14 1.15 3.68 3.38 0.00 -1.26 -4.84 105.19 106.15 1vkg n GLY 212 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1vkg n GLY 212 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vkg s ASP 213 N -2.00 3.06 0.00 1.61 -1.08 -1.26 -4.48 116.67 112.51 1vkg s ASP 213 Ca 0.00 1.54 0.15 0.00 -0.52 0.00 0.00 52.55 53.73 1vkg s ASP 213 Cb 0.00 -2.21 0.70 0.00 -1.46 0.00 0.00 42.92 39.96 1vkg s ASP 213 CO 0.00 -2.91 1.47 0.55 0.52 0.00 0.00 175.17 174.80 1vkg n VAL 214 N -4.07 0.80 0.69 1.11 3.14 -1.26 -2.12 118.33 116.63 1vkg n VAL 214 Ca 0.07 0.20 0.08 0.00 -2.96 0.00 0.00 64.34 61.73 1vkg n VAL 214 Cb 0.55 -0.94 0.24 0.00 -1.06 0.00 0.00 33.84 32.63 1vkg n VAL 214 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1vkg n SER 215 N -1.42 2.32 -4.28 6.55 3.41 -1.26 -4.55 113.62 114.39 1vkg n SER 215 Ca 0.05 -1.94 -0.45 0.00 -0.26 0.00 0.00 58.87 56.28 1vkg n SER 215 Cb 0.16 -0.25 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 1vkg n SER 215 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1vkg s ASP 216 N -1.16 6.33 -0.06 4.04 -0.00 -0.90 -4.89 116.67 120.04 1vkg s ASP 216 Ca 0.31 -2.54 0.14 0.00 -0.00 0.00 0.00 52.55 50.46 1vkg s ASP 216 Cb 0.16 -2.13 0.42 0.00 -0.00 0.00 0.00 42.92 41.37 1vkg s ASP 216 CO 0.22 -0.59 1.35 1.33 -0.00 0.00 0.00 175.17 177.49 1vkg n VAL 217 N 4.13 1.43 0.00 -1.27 0.24 -1.26 -4.50 118.33 117.10 1vkg n VAL 217 Ca 0.07 -1.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.12 1vkg n VAL 217 Cb 0.44 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.07 1vkg n VAL 217 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1vkg n GLY 218 N 0.35 -1.87 3.23 7.63 0.00 -1.26 0.19 105.19 113.45 1vkg n GLY 218 Ca 0.16 -2.22 -0.16 0.00 0.00 0.00 0.00 46.02 43.80 1vkg n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vkg s LEU 219 N 0.00 2.44 0.00 0.99 1.43 0.13 -4.56 118.68 119.11 1vkg s LEU 219 Ca 0.00 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1vkg s LEU 219 Cb 0.00 -0.44 0.00 0.00 0.03 0.00 0.00 46.19 45.78 1vkg s LEU 219 CO 0.00 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 176.97 1vkg n GLY 220 N 0.32 0.63 0.69 -3.19 0.00 -1.26 0.25 105.19 102.64 1vkg n GLY 220 Ca -0.14 0.08 0.51 0.00 0.00 0.00 0.00 46.02 46.46 1vkg n GLY 220 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1vkg h LYS 221 N 0.00 0.00 -0.49 1.61 1.63 -1.88 0.42 116.57 117.86 1vkg h LYS 221 Ca 0.00 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.58 1vkg h LYS 221 Cb 0.00 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 31.50 1vkg h LYS 221 CO 0.00 0.00 0.09 0.41 -3.45 0.00 0.00 179.45 176.50 1vkg n GLY 222 N -1.90 4.63 3.76 5.01 0.00 0.14 -4.32 105.19 112.52 1vkg n GLY 222 Ca 0.42 -1.16 -0.40 0.00 0.00 0.00 0.00 46.02 44.87 1vkg n GLY 222 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1vkg s ARG 223 N -3.19 4.45 0.00 1.61 3.52 0.15 -0.95 118.95 124.53 1vkg s ARG 223 Ca 0.47 1.96 0.00 0.00 -0.13 0.00 0.00 55.73 58.03 1vkg s ARG 223 Cb 0.41 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.74 1vkg s ARG 223 CO 0.04 -0.02 0.00 0.66 -0.81 0.00 0.00 175.30 175.17 1vkg n TYR 224 N 0.87 0.00 -0.27 5.12 0.53 0.49 -4.87 117.16 119.03 1vkg n TYR 224 Ca 0.00 0.00 0.07 0.00 -1.02 0.00 0.00 57.90 56.95 1vkg n TYR 224 Cb 0.44 -0.24 0.19 0.00 -1.03 0.00 0.00 39.34 38.70 1vkg n TYR 224 CO 0.00 0.00 0.00 0.66 -1.02 0.00 0.00 176.86 176.50 1vkg n TYR 225 N -2.80 0.60 -4.07 -0.72 4.02 -0.12 -4.82 117.16 109.25 1vkg n TYR 225 Ca 0.00 -0.53 -0.30 0.00 -0.01 0.00 0.00 57.90 57.07 1vkg n TYR 225 Cb 0.06 -0.05 -0.17 0.00 -0.02 0.00 0.00 39.34 39.16 1vkg n TYR 225 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1vkg s SER 226 N -1.05 2.61 -0.11 7.72 0.01 -1.10 -2.79 113.70 118.99 1vkg s SER 226 Ca 0.29 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 57.09 1vkg s SER 226 Cb 0.16 -1.14 -0.02 0.00 0.21 0.00 0.00 66.02 65.23 1vkg s SER 226 CO 0.18 -0.05 -0.13 -0.69 0.41 0.00 0.00 173.24 172.96 1vkg s VAL 227 N 1.43 3.05 -0.04 3.43 1.01 0.75 -4.23 120.40 125.79 1vkg s VAL 227 Ca 0.03 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1vkg s VAL 227 Cb -0.13 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.00 1vkg s VAL 227 CO -0.09 0.54 -0.08 0.20 0.00 0.00 0.00 175.10 175.66 1vkg s ASN 228 N 0.09 1.28 -0.44 3.32 0.01 -1.26 -1.84 114.94 116.10 1vkg s ASN 228 Ca -0.06 -0.20 0.03 0.00 -0.71 0.00 0.00 52.86 51.93 1vkg s ASN 228 Cb -0.15 -0.52 0.12 0.00 0.41 0.00 0.00 41.25 41.11 1vkg s ASN 228 CO 0.05 0.02 0.18 -0.69 -1.51 0.00 0.00 177.10 175.15 1vkg s VAL 229 N 0.58 2.23 -0.29 1.60 1.01 0.37 -4.35 120.40 121.54 1vkg s VAL 229 Ca -0.10 -2.82 -0.29 0.00 0.00 0.00 0.00 61.98 58.78 1vkg s VAL 229 Cb -0.13 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.67 1vkg s VAL 229 CO 0.01 -0.75 1.18 -2.84 0.00 0.00 0.00 175.10 172.70 1vkg s PRO 230 N 0.26 4.04 0.44 2.72 0.02 -1.26 -2.24 135.00 138.98 1vkg s PRO 230 Ca 0.15 1.22 0.07 0.00 0.02 0.00 0.00 61.00 62.45 1vkg s PRO 230 Cb -0.23 -3.79 -0.03 0.00 0.02 0.00 0.00 34.50 30.47 1vkg s PRO 230 CO -0.04 -0.94 0.23 0.42 -0.33 0.00 0.00 177.00 176.33 1vkg s ILE 231 N 3.87 2.18 0.39 2.83 1.01 0.52 -4.84 121.20 127.16 1vkg s ILE 231 Ca 0.50 -1.64 0.01 0.00 0.00 0.00 0.00 60.65 59.53 1vkg s ILE 231 Cb -0.15 -2.82 0.01 0.00 0.01 0.00 0.00 42.46 39.51 1vkg s ILE 231 CO 0.18 0.00 0.12 0.00 0.00 0.00 0.00 174.94 175.23 1vkg n GLN 232 N -1.36 1.01 -1.77 2.79 1.13 -1.26 -2.30 117.38 115.61 1vkg n GLN 232 Ca -0.02 -2.69 -0.31 0.00 -1.94 0.00 0.00 57.00 52.04 1vkg n GLN 232 Cb 0.64 0.56 0.03 0.00 0.11 0.00 0.00 30.24 31.58 1vkg n GLN 232 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1vkg s ASP 233 N -3.21 5.70 -0.61 1.08 1.01 -1.26 -4.12 116.67 115.27 1vkg s ASP 233 Ca 0.09 1.61 0.00 0.00 0.71 0.00 0.00 52.55 54.96 1vkg s ASP 233 Cb -0.01 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.42 1vkg s ASP 233 CO 0.06 -1.22 0.00 0.61 0.21 0.00 0.00 175.17 174.82 1vkg n GLY 234 N -1.92 0.29 3.82 0.21 0.00 0.61 -0.37 105.19 107.83 1vkg n GLY 234 Ca 0.07 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 1vkg n GLY 234 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1vkg s ILE 235 N -2.31 4.46 0.22 -0.61 2.07 -1.26 -3.87 121.20 119.90 1vkg s ILE 235 Ca 0.00 1.38 0.09 0.00 -1.41 0.00 0.00 60.65 60.71 1vkg s ILE 235 Cb 0.00 -3.76 -0.05 0.00 0.13 0.00 0.00 42.46 38.79 1vkg s ILE 235 CO 0.00 -0.06 -0.17 -1.10 -1.91 0.00 0.00 174.94 171.70 1vkg s GLN 236 N -2.60 1.42 0.05 3.50 -0.21 -1.26 -0.63 119.66 119.94 1vkg s GLN 236 Ca 0.53 -1.61 0.03 0.00 0.02 0.00 0.00 55.36 54.33 1vkg s GLN 236 Cb -0.13 -1.36 0.19 0.00 1.00 0.00 0.00 33.01 32.71 1vkg s GLN 236 CO 0.18 0.25 0.22 -0.25 -2.12 0.00 0.00 175.29 173.57 1vkg n ASP 237 N -0.32 0.04 -0.08 5.90 9.92 -1.26 -1.10 116.55 129.65 1vkg n ASP 237 Ca -0.08 0.22 -0.17 0.00 -0.53 0.00 0.00 54.79 54.23 1vkg n ASP 237 Cb 0.60 -0.11 -0.12 0.00 -0.64 0.00 0.00 41.12 40.84 1vkg n ASP 237 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1vkg h GLU 238 N 0.00 0.00 -0.08 -1.24 4.11 -1.96 -2.63 114.58 112.78 1vkg h GLU 238 Ca 0.12 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.54 1vkg h GLU 238 Cb 0.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1vkg h GLU 238 CO -0.10 0.99 0.03 -0.22 0.07 0.00 0.00 179.01 179.78 1vkg h LYS 239 N -1.00 0.13 0.21 1.06 3.64 -1.53 -2.05 116.57 117.03 1vkg h LYS 239 Ca -0.15 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.21 1vkg h LYS 239 Cb 1.12 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.88 1vkg h LYS 239 CO -0.09 0.29 -0.52 -0.92 -2.27 0.00 0.00 179.45 175.94 1vkg h TYR 240 N -0.06 -1.49 -0.24 1.91 3.20 -1.41 -2.02 116.97 116.86 1vkg h TYR 240 Ca 0.03 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.99 1vkg h TYR 240 Cb 0.22 0.62 -0.07 0.00 1.54 0.00 0.00 36.73 39.03 1vkg h TYR 240 CO -0.00 -0.61 -0.34 -0.92 -1.64 0.00 0.00 178.16 174.65 1vkg h TYR 241 N -0.80 -0.95 -0.99 -3.82 3.20 -1.44 -1.02 116.97 111.14 1vkg h TYR 241 Ca -0.02 0.05 0.22 0.00 3.14 0.00 0.00 58.73 62.12 1vkg h TYR 241 Cb 0.78 0.45 -0.09 0.00 1.54 0.00 0.00 36.73 39.40 1vkg h TYR 241 CO -0.41 -0.40 0.63 1.96 -1.64 0.00 0.00 178.16 178.29 1vkg h GLN 242 N -0.35 0.52 0.40 1.82 4.20 -1.20 0.21 115.11 120.71 1vkg h GLN 242 Ca 0.12 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 1vkg h GLN 242 Cb 0.55 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1vkg h GLN 242 CO -0.44 0.35 -0.19 0.82 -0.67 0.00 0.00 178.83 178.70 1vkg h ILE 243 N 0.54 0.00 -0.27 2.54 2.04 -0.48 -3.12 117.51 118.75 1vkg h ILE 243 Ca 0.57 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.97 1vkg h ILE 243 Cb 1.20 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1vkg h ILE 243 CO -0.31 0.00 -0.16 0.00 0.00 0.00 0.00 178.15 177.68 1vkg h GLU 245 N 0.00 0.21 -0.48 0.00 4.81 -0.74 0.26 114.58 118.63 1vkg h GLU 245 Ca 0.04 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 1vkg h GLU 245 Cb 0.11 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1vkg h GLU 245 CO -0.26 0.14 -0.04 0.77 -0.73 0.00 0.00 179.01 178.89 1vkg h SER 246 N 0.21 0.87 -0.01 1.04 0.02 -0.85 -0.79 113.55 114.05 1vkg h SER 246 Ca 0.67 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 1vkg h SER 246 Cb 1.50 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1vkg h SER 246 CO -0.67 0.99 -0.03 0.58 -1.14 0.00 0.00 176.83 176.56 1vkg h VAL 247 N 0.73 1.49 -0.18 2.27 2.07 -1.06 -2.54 116.25 119.04 1vkg h VAL 247 Ca 0.13 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 1vkg h VAL 247 Cb 0.57 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 1vkg h VAL 247 CO 0.03 0.39 0.04 -0.07 0.02 0.00 0.00 177.57 177.99 1vkg h LEU 248 N -0.58 0.22 0.18 2.57 3.38 -0.98 0.91 115.31 121.01 1vkg h LEU 248 Ca -0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1vkg h LEU 248 Cb 0.66 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1vkg h LEU 248 CO 0.01 0.24 -0.09 0.50 0.09 0.00 0.00 178.44 179.19 1vkg h LYS 249 N 0.25 -0.23 -0.80 1.13 3.64 -1.09 0.15 116.57 119.62 1vkg h LYS 249 Ca 0.06 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1vkg h LYS 249 Cb 0.11 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1vkg h LYS 249 CO -0.00 0.05 0.46 0.93 -2.27 0.00 0.00 179.45 178.62 1vkg h GLU 250 N -0.51 1.11 -0.42 1.90 4.39 -1.09 -1.11 114.58 118.84 1vkg h GLU 250 Ca -0.02 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.48 1vkg h GLU 250 Cb 0.39 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1vkg h GLU 250 CO 0.04 0.80 -0.05 0.28 -1.16 0.00 0.00 179.01 178.91 1vkg h VAL 251 N 1.11 1.27 0.28 3.13 2.07 -0.75 0.11 116.25 123.47 1vkg h VAL 251 Ca 0.29 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1vkg h VAL 251 Cb -0.01 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1vkg h VAL 251 CO -0.05 0.38 -0.14 0.22 0.02 0.00 0.00 177.57 178.00 1vkg h TYR 252 N 0.60 -0.35 -0.37 1.57 3.20 -0.43 0.21 116.97 121.39 1vkg h TYR 252 Ca 0.11 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 1vkg h TYR 252 Cb 0.57 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 1vkg h TYR 252 CO 0.04 -0.09 -0.01 -0.56 -1.64 0.00 0.00 178.16 175.91 1vkg h GLN 253 N -0.58 0.59 0.22 1.82 -0.00 -1.19 0.75 115.11 116.73 1vkg h GLN 253 Ca -0.04 -0.14 -0.33 0.00 -0.00 0.00 0.00 58.65 58.14 1vkg h GLN 253 Cb 0.42 -0.08 0.03 0.00 -0.00 0.00 0.00 27.48 27.85 1vkg h GLN 253 CO 0.06 0.62 -1.50 0.00 -0.00 0.00 0.00 178.83 178.02 1vkg h ALA 254 N 1.43 -0.06 0.00 0.06 0.00 -0.67 -3.37 119.26 116.66 1vkg h ALA 254 Ca 0.12 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1vkg h ALA 254 Cb 0.37 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1vkg h ALA 254 CO 0.01 0.81 -1.19 0.34 0.00 0.00 0.00 179.25 179.22 1vkg n PHE 255 N -3.66 0.04 -3.53 0.00 7.35 0.72 -4.41 117.46 113.97 1vkg n PHE 255 Ca -0.17 0.01 -0.29 0.00 -0.76 0.00 0.00 57.45 56.24 1vkg n PHE 255 Cb 1.09 -0.19 0.02 0.00 0.35 0.00 0.00 39.48 40.75 1vkg n PHE 255 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1vkg n ASN 256 N -1.73 -4.68 -4.81 -2.13 5.15 0.25 -4.90 115.26 102.41 1vkg n ASN 256 Ca 0.02 -0.57 -0.30 0.00 -0.60 0.00 0.00 54.58 53.14 1vkg n ASN 256 Cb 0.40 -1.46 0.09 0.00 -0.53 0.00 0.00 39.78 38.28 1vkg n ASN 256 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1vkg s PRO 257 N -3.61 2.04 -0.02 1.20 0.04 -1.26 -4.91 135.00 128.47 1vkg s PRO 257 Ca 0.16 0.58 0.03 0.00 0.04 0.00 0.00 61.00 61.81 1vkg s PRO 257 Cb -0.02 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 1vkg s PRO 257 CO 0.82 -1.64 0.03 1.63 0.04 0.00 0.00 177.00 177.89 1vkg n LYS 258 N -3.43 2.34 -3.95 4.56 4.76 0.10 -5.01 118.16 117.53 1vkg n LYS 258 Ca 0.07 -0.01 -0.08 0.00 -2.87 0.00 0.00 58.31 55.41 1vkg n LYS 258 Cb 0.57 -1.09 -0.08 0.00 -1.84 0.00 0.00 35.03 32.59 1vkg n LYS 258 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vkg s ALA 259 N -2.14 0.06 0.10 7.82 0.00 -1.20 -4.16 121.76 122.23 1vkg s ALA 259 Ca -0.02 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.13 1vkg s ALA 259 Cb 0.01 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 1vkg s ALA 259 CO 0.15 -0.49 -0.09 0.08 0.00 0.00 0.00 175.76 175.41 1vkg s VAL 260 N -3.90 0.89 -0.08 0.00 1.01 0.86 -2.42 120.40 116.76 1vkg s VAL 260 Ca 0.08 -1.69 -0.01 0.00 0.00 0.00 0.00 61.98 60.36 1vkg s VAL 260 Cb 0.06 -1.41 0.03 0.00 0.00 0.00 0.00 36.38 35.06 1vkg s VAL 260 CO -0.09 -0.62 -0.01 -0.69 0.00 0.00 0.00 175.10 173.70 1vkg s VAL 261 N -2.65 0.45 -0.11 2.92 1.01 -0.38 -1.96 120.40 119.69 1vkg s VAL 261 Ca 0.06 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1vkg s VAL 261 Cb -0.01 -0.60 0.01 0.00 0.00 0.00 0.00 36.38 35.77 1vkg s VAL 261 CO -0.01 0.26 -0.21 -0.22 0.00 0.00 0.00 175.10 174.93 1vkg s LEU 262 N 1.94 2.00 -0.16 3.92 2.96 0.31 -1.31 118.68 128.35 1vkg s LEU 262 Ca 0.05 -0.53 -0.02 0.00 -0.22 0.00 0.00 54.13 53.40 1vkg s LEU 262 Cb -0.12 -1.32 -0.02 0.00 0.50 0.00 0.00 46.19 45.22 1vkg s LEU 262 CO -0.06 0.10 -0.07 -1.58 -1.32 0.00 0.00 176.35 173.42 1vkg s GLN 263 N 0.62 3.52 -0.34 1.98 -0.44 -0.57 -0.24 119.66 124.19 1vkg s GLN 263 Ca -0.13 -0.60 0.06 0.00 -2.50 0.00 0.00 55.36 52.19 1vkg s GLN 263 Cb -0.17 -2.83 0.46 0.00 -1.64 0.00 0.00 33.01 28.83 1vkg s GLN 263 CO 0.03 0.15 1.30 1.28 0.50 0.00 0.00 175.29 178.56 1vkg n LEU 264 N 3.75 5.30 -4.68 3.68 4.77 -0.55 -1.08 117.00 128.19 1vkg n LEU 264 Ca -0.18 -4.69 -0.64 0.00 -0.03 0.00 0.00 56.01 50.47 1vkg n LEU 264 Cb 0.52 -0.42 -0.09 0.00 -2.33 0.00 0.00 43.42 41.10 1vkg n LEU 264 CO 0.31 2.02 1.01 0.61 -1.33 0.00 0.00 177.39 180.02 1vkg n GLY 265 N -0.74 0.14 2.00 -0.72 0.00 -1.03 -4.69 105.19 100.14 1vkg n GLY 265 Ca 0.46 0.93 -0.15 0.00 0.00 0.00 0.00 46.02 47.27 1vkg n GLY 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vkg n ALA 266 N 3.44 5.56 -0.42 4.61 0.00 0.37 -4.27 120.51 129.80 1vkg n ALA 266 Ca 0.27 -1.72 0.08 0.00 0.00 0.00 0.00 53.44 52.08 1vkg n ALA 266 Cb 0.00 -1.74 0.26 0.00 0.00 0.00 0.00 19.45 17.97 1vkg n ALA 266 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1vkg n ASP 267 N 1.27 3.73 -0.08 0.00 5.75 -1.25 -4.10 116.55 121.88 1vkg n ASP 267 Ca 0.32 -2.22 -0.07 0.00 -0.01 0.00 0.00 54.79 52.82 1vkg n ASP 267 Cb 0.64 -0.41 -0.16 0.00 -1.03 0.00 0.00 41.12 40.16 1vkg n ASP 267 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1vkg n THR 268 N 0.84 1.18 -1.56 2.12 -2.24 -1.26 -4.64 114.28 108.72 1vkg n THR 268 Ca 0.19 -0.80 -0.38 0.00 -2.27 0.00 0.00 64.05 60.79 1vkg n THR 268 Cb 0.64 -0.40 0.05 0.00 -2.10 0.00 0.00 70.33 68.51 1vkg n THR 268 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1vkg n ILE 269 N -2.68 3.14 -2.44 2.28 2.08 -1.26 -2.10 119.36 118.39 1vkg n ILE 269 Ca -0.28 -0.50 -0.39 0.00 0.56 0.00 0.00 62.75 62.14 1vkg n ILE 269 Cb 1.06 -0.96 -0.04 0.00 -0.75 0.00 0.00 39.64 38.96 1vkg n ILE 269 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1vkg s ALA 270 N -1.60 3.24 0.00 -1.39 0.00 0.20 -3.86 121.76 118.36 1vkg s ALA 270 Ca 0.73 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.56 1vkg s ALA 270 Cb -0.43 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1vkg s ALA 270 CO 0.50 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.38 1vkg n GLY 271 N 0.77 2.36 0.00 0.00 0.00 -1.26 -4.91 105.19 102.14 1vkg n GLY 271 Ca 0.02 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1vkg n GLY 271 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1vkg n ASP 272 N 0.62 0.00 -0.24 1.61 2.03 -1.25 -4.50 116.55 114.82 1vkg n ASP 272 Ca 0.00 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.41 1vkg n ASP 272 Cb 0.00 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 40.60 1vkg n ASP 272 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1vkg n PRO 273 N 0.00 -0.05 0.21 -0.67 -0.02 -1.26 0.02 135.00 133.23 1vkg n PRO 273 Ca 0.00 1.03 0.14 0.00 -2.02 0.00 0.00 63.50 62.65 1vkg n PRO 273 Cb 0.00 -1.63 0.56 0.00 -0.02 0.00 0.00 33.50 32.40 1vkg n PRO 273 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1vkg h MET 274 N 0.00 0.00 -6.04 -0.52 2.86 -1.89 -3.45 114.93 105.89 1vkg h MET 274 Ca 0.41 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.69 1vkg h MET 274 Cb 0.85 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.36 1vkg h MET 274 CO -0.65 0.00 -0.56 0.00 1.06 0.00 0.00 176.91 176.76 1vkg n SER 276 N -1.46 1.23 -4.96 0.00 7.64 -1.26 -4.93 113.62 109.88 1vkg n SER 276 Ca -0.13 0.19 -0.20 0.00 1.01 0.00 0.00 58.87 59.74 1vkg n SER 276 Cb 0.37 -0.44 0.05 0.00 -1.01 0.00 0.00 64.21 63.19 1vkg n SER 276 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1vkg s PHE 277 N -2.30 2.00 -0.40 1.43 2.99 -1.26 -0.28 117.98 120.15 1vkg s PHE 277 Ca -0.12 -0.47 0.10 0.00 0.00 0.00 0.00 56.93 56.44 1vkg s PHE 277 Cb 0.03 -2.46 0.33 0.00 0.00 0.00 0.00 43.02 40.92 1vkg s PHE 277 CO 0.17 -1.01 0.71 -1.71 -0.00 0.00 0.00 175.22 173.38 1vkg n ASN 278 N -2.25 1.18 -4.94 1.36 5.15 0.20 -4.46 115.26 111.51 1vkg n ASN 278 Ca 0.13 -3.03 -0.20 0.00 -0.60 0.00 0.00 54.58 50.88 1vkg n ASN 278 Cb 0.60 -0.62 -0.02 0.00 -0.53 0.00 0.00 39.78 39.22 1vkg n ASN 278 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1vkg s MET 279 N -2.30 2.86 0.17 1.20 -1.94 -0.89 -4.24 119.30 114.15 1vkg s MET 279 Ca 0.40 -1.22 0.03 0.00 -1.71 0.00 0.00 55.69 53.19 1vkg s MET 279 Cb 0.30 -2.64 -0.05 0.00 2.01 0.00 0.00 34.83 34.46 1vkg s MET 279 CO -0.09 -0.03 -0.05 0.95 -0.01 0.00 0.00 175.02 175.79 1vkg s THR 280 N -2.29 0.95 0.62 2.05 -4.23 -1.26 0.60 115.64 112.08 1vkg s THR 280 Ca 0.46 -2.02 0.28 0.00 -1.18 0.00 0.00 61.69 59.23 1vkg s THR 280 Cb -0.08 -2.01 0.34 0.00 1.34 0.00 0.00 72.50 72.10 1vkg s THR 280 CO 0.30 -0.60 1.83 -0.65 -0.54 0.00 0.00 174.62 174.96 1vkg h PRO 281 N 2.71 0.00 -0.33 3.99 0.11 -1.94 -2.08 132.00 134.46 1vkg h PRO 281 Ca -0.37 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.58 1vkg h PRO 281 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1vkg h PRO 281 CO 0.64 0.00 -0.44 0.28 -0.21 0.00 0.00 178.00 178.27 1vkg h VAL 282 N 0.00 1.28 -0.02 3.15 2.07 -1.97 0.59 116.25 121.36 1vkg h VAL 282 Ca 0.15 -1.62 -0.10 0.00 0.82 0.00 0.00 66.70 65.94 1vkg h VAL 282 Cb 1.13 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1vkg h VAL 282 CO -0.00 0.53 -0.48 1.23 0.02 0.00 0.00 177.57 178.87 1vkg h GLY 283 N 0.81 0.04 1.33 2.17 0.00 -1.66 -1.67 103.07 104.10 1vkg h GLY 283 Ca 0.04 -0.04 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 1vkg h GLY 283 CO 0.10 0.04 -1.47 -2.22 0.00 0.00 0.00 176.54 172.99 1vkg h ILE 284 N 0.03 1.21 -0.82 2.60 1.08 -1.57 -3.26 117.51 116.78 1vkg h ILE 284 Ca -0.00 -2.88 0.04 0.00 -0.39 0.00 0.00 64.86 61.62 1vkg h ILE 284 Cb 0.86 2.74 -0.05 0.00 -3.07 0.00 0.00 36.82 37.30 1vkg h ILE 284 CO 0.06 0.80 0.54 1.23 -0.69 0.00 0.00 178.15 180.10 1vkg h GLY 285 N 2.09 1.15 0.75 5.37 0.00 0.57 -1.37 103.07 111.63 1vkg h GLY 285 Ca -0.21 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 46.67 1vkg h GLY 285 CO 0.15 0.34 -0.11 0.50 0.00 0.00 0.00 176.54 177.42 1vkg h LYS 286 N 1.00 0.35 0.22 4.80 1.57 -1.37 -0.24 116.57 122.90 1vkg h LYS 286 Ca 0.33 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1vkg h LYS 286 Cb 0.06 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1vkg h LYS 286 CO -0.10 0.69 -0.45 0.00 -0.57 0.00 0.00 179.45 179.02 1vkg h LEU 288 N -0.76 -1.20 -0.85 0.00 5.85 -1.23 -0.45 115.31 116.67 1vkg h LEU 288 Ca -0.00 0.20 0.18 0.00 0.84 0.00 0.00 57.88 59.09 1vkg h LEU 288 Cb 0.74 0.54 -0.11 0.00 0.37 0.00 0.00 40.66 42.20 1vkg h LEU 288 CO -0.20 -0.35 0.38 0.11 -0.34 0.00 0.00 178.44 178.04 1vkg h LYS 289 N -0.30 0.47 0.36 1.25 1.57 -0.47 0.75 116.57 120.19 1vkg h LYS 289 Ca 0.15 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1vkg h LYS 289 Cb 0.56 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1vkg h LYS 289 CO -0.53 0.31 -0.21 -0.92 -0.57 0.00 0.00 179.45 177.53 1vkg h TYR 290 N 0.48 -0.55 -0.90 -1.35 3.20 0.66 -0.82 116.97 117.68 1vkg h TYR 290 Ca 0.49 -0.01 0.24 0.00 3.14 0.00 0.00 58.73 62.60 1vkg h TYR 290 Cb 0.82 0.20 -0.16 0.00 1.54 0.00 0.00 36.73 39.13 1vkg h TYR 290 CO -0.13 -0.32 0.10 0.82 -1.64 0.00 0.00 178.16 176.99 1vkg h ILE 291 N -0.53 0.18 -0.24 1.81 2.04 -0.52 0.68 117.51 120.94 1vkg h ILE 291 Ca -0.05 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1vkg h ILE 291 Cb 0.42 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1vkg h ILE 291 CO 0.05 0.02 0.04 -0.07 0.00 0.00 0.00 178.15 178.19 1vkg h LEU 292 N 0.09 0.31 -2.22 1.44 4.07 -0.52 -1.93 115.31 116.56 1vkg h LEU 292 Ca 0.55 -0.03 0.04 0.00 0.08 0.00 0.00 57.88 58.52 1vkg h LEU 292 Cb 1.12 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.77 1vkg h LEU 292 CO -0.78 0.34 0.25 0.06 -1.08 0.00 0.00 178.44 177.23 1vkg h GLN 293 N 0.34 0.00 0.00 1.13 -0.00 0.19 -0.06 115.11 116.71 1vkg h GLN 293 Ca 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.72 1vkg h GLN 293 Cb 0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.64 1vkg h GLN 293 CO -0.00 0.00 -0.08 -1.49 -0.00 0.00 0.00 178.83 177.26 1vkg h TRP 294 N 0.00 0.00 -3.22 0.06 6.55 -1.38 -3.47 115.95 114.49 1vkg h TRP 294 Ca 0.07 0.00 -0.32 0.00 0.95 0.00 0.00 58.89 59.59 1vkg h TRP 294 Cb 0.58 0.00 0.03 0.00 -0.86 0.00 0.00 29.16 28.91 1vkg h TRP 294 CO 0.00 0.08 -0.46 1.04 -1.05 0.00 0.00 178.44 178.05 1vkg n GLN 295 N -3.25 -3.10 -4.00 0.49 1.13 -0.04 -5.02 117.38 103.60 1vkg n GLN 295 Ca -0.00 0.74 -0.22 0.00 -1.94 0.00 0.00 57.00 55.58 1vkg n GLN 295 Cb 0.31 -5.17 -0.04 0.00 0.11 0.00 0.00 30.24 25.44 1vkg n GLN 295 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1vkg s LEU 296 N -5.14 3.62 -0.09 1.08 1.43 -1.26 -5.04 118.68 113.29 1vkg s LEU 296 Ca 0.17 -0.44 -0.29 0.00 -1.03 0.00 0.00 54.13 52.54 1vkg s LEU 296 Cb -0.07 -2.18 -0.05 0.00 0.03 0.00 0.00 46.19 43.91 1vkg s LEU 296 CO 0.21 -0.19 1.71 0.00 0.23 0.00 0.00 176.35 178.30 1vkg s ALA 297 N -2.25 3.49 -0.03 4.21 0.00 -1.26 -4.82 121.76 121.11 1vkg s ALA 297 Ca 0.37 0.87 0.05 0.00 0.00 0.00 0.00 51.96 53.25 1vkg s ALA 297 Cb -0.06 -3.80 -0.03 0.00 0.00 0.00 0.00 23.12 19.24 1vkg s ALA 297 CO 0.25 -1.60 -0.17 0.99 0.00 0.00 0.00 175.76 175.23 1vkg s THR 298 N 4.55 2.83 -0.12 0.00 2.01 0.11 -0.10 115.64 124.93 1vkg s THR 298 Ca 0.76 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.89 1vkg s THR 298 Cb -0.32 -2.11 -0.01 0.00 0.01 0.00 0.00 72.50 70.07 1vkg s THR 298 CO 0.31 0.54 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.40 1vkg s LEU 299 N -0.85 2.54 -0.11 4.42 0.20 -0.83 -1.49 118.68 122.57 1vkg s LEU 299 Ca 0.12 -0.38 -0.02 0.00 0.69 0.00 0.00 54.13 54.54 1vkg s LEU 299 Cb -0.10 -1.55 -0.03 0.00 -0.43 0.00 0.00 46.19 44.07 1vkg s LEU 299 CO 0.01 0.18 -0.03 -0.63 -0.29 0.00 0.00 176.35 175.59 1vkg s ILE 300 N 0.27 4.00 0.14 6.68 -1.09 0.43 -0.53 121.20 131.10 1vkg s ILE 300 Ca -0.12 -0.35 0.08 0.00 -2.23 0.00 0.00 60.65 58.03 1vkg s ILE 300 Cb -0.16 -2.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.99 1vkg s ILE 300 CO 0.06 0.56 -0.18 -0.76 -1.23 0.00 0.00 174.94 173.40 1vkg s LEU 301 N -0.40 2.40 0.00 2.97 1.43 0.66 -1.66 118.68 124.08 1vkg s LEU 301 Ca 0.07 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1vkg s LEU 301 Cb -0.12 -0.76 0.00 0.00 0.03 0.00 0.00 46.19 45.34 1vkg s LEU 301 CO 0.02 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.17 1vkg n GLY 302 N 0.53 0.52 0.00 -3.19 0.00 -1.12 -1.49 105.19 100.44 1vkg n GLY 302 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1vkg n GLY 302 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vkg n GLY 303 N 5.00 0.39 3.65 -0.02 0.00 -1.09 -2.47 105.19 110.64 1vkg n GLY 303 Ca 0.00 -1.19 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 1vkg n GLY 303 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vkg s GLY 304 N 0.00 1.58 0.00 -0.02 0.00 -1.26 -4.68 107.32 102.94 1vkg s GLY 304 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.50 1vkg s GLY 304 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 173.10 174.09 1vkg n GLY 305 N -0.68 -0.00 2.13 0.20 0.00 -1.26 0.14 105.19 105.71 1vkg n GLY 305 Ca 0.05 0.33 -0.25 0.00 0.00 0.00 0.00 46.02 46.16 1vkg n GLY 305 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1vkg n TYR 306 N 0.00 2.89 -3.46 1.61 4.02 -1.26 -4.48 117.16 116.49 1vkg n TYR 306 Ca 0.00 -2.15 -0.29 0.00 -0.01 0.00 0.00 57.90 55.46 1vkg n TYR 306 Cb 0.00 -1.02 -0.12 0.00 -0.02 0.00 0.00 39.34 38.19 1vkg n TYR 306 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1vkg s ASN 307 N -1.65 2.61 0.15 7.72 3.04 -1.26 -4.47 114.94 121.09 1vkg s ASN 307 Ca 0.58 -2.43 -0.27 0.00 0.04 0.00 0.00 52.86 50.77 1vkg s ASN 307 Cb 0.48 -0.44 -0.00 0.00 -1.54 0.00 0.00 41.25 39.75 1vkg s ASN 307 CO 0.06 -0.27 1.57 -0.07 -3.04 0.00 0.00 177.10 175.35 1vkg h LEU 308 N 6.65 -1.49 -0.79 3.21 3.38 -2.00 0.19 115.31 124.47 1vkg h LEU 308 Ca 0.11 0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.35 1vkg h LEU 308 Cb 0.95 0.65 -0.05 0.00 0.09 0.00 0.00 40.66 42.30 1vkg h LEU 308 CO 0.30 -0.36 0.49 0.00 0.09 0.00 0.00 178.44 178.96 1vkg h ALA 309 N 0.42 1.05 0.68 1.53 0.00 -1.96 -0.36 119.26 120.62 1vkg h ALA 309 Ca 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1vkg h ALA 309 Cb 0.58 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1vkg h ALA 309 CO -0.60 0.27 -0.34 -0.91 0.00 0.00 0.00 179.25 177.66 1vkg h ASN 310 N 0.93 -0.81 -0.36 0.00 -0.26 -1.67 -0.68 115.58 112.72 1vkg h ASN 310 Ca 0.33 0.03 0.08 0.00 -0.56 0.00 0.00 56.30 56.17 1vkg h ASN 310 Cb 0.08 0.21 -0.07 0.00 -1.06 0.00 0.00 38.32 37.48 1vkg h ASN 310 CO -0.14 -0.57 -0.13 0.74 -1.06 0.00 0.00 177.43 176.28 1vkg h THR 311 N -0.93 0.56 -0.38 2.81 2.02 -0.30 0.53 112.91 117.21 1vkg h THR 311 Ca -0.09 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.13 1vkg h THR 311 Cb 0.72 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 1vkg h THR 311 CO 0.15 0.00 0.13 0.00 0.37 0.00 0.00 175.52 176.16 1vkg h ALA 312 N 1.27 0.44 -0.29 6.16 0.00 -1.00 -0.04 119.26 125.81 1vkg h ALA 312 Ca 0.18 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1vkg h ALA 312 Cb 0.33 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1vkg h ALA 312 CO -0.40 -0.26 -0.05 0.00 0.00 0.00 0.00 179.25 178.53 1vkg h ARG 313 N 0.28 0.02 0.48 0.00 3.08 0.08 0.36 114.38 118.68 1vkg h ARG 313 Ca 0.18 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 1vkg h ARG 313 Cb 0.16 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1vkg h ARG 313 CO -0.19 0.01 -0.38 0.00 -1.07 0.00 0.00 179.97 178.35 1vkg h TRP 315 N -0.83 0.00 0.14 0.00 6.55 -0.93 0.76 115.95 121.64 1vkg h TRP 315 Ca -0.06 0.00 -0.29 0.00 0.95 0.00 0.00 58.89 59.49 1vkg h TRP 315 Cb 0.69 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 29.01 1vkg h TRP 315 CO -0.14 0.00 -1.26 1.15 -1.05 0.00 0.00 178.44 177.15 1vkg h THR 316 N 0.00 1.39 0.55 1.49 2.02 -0.18 -0.38 112.91 117.81 1vkg h THR 316 Ca 0.02 -2.77 -0.03 0.00 0.77 0.00 0.00 66.41 64.41 1vkg h THR 316 Cb 0.20 2.84 0.01 0.00 -1.74 0.00 0.00 68.15 69.45 1vkg h THR 316 CO -0.00 0.82 -0.27 0.22 0.37 0.00 0.00 175.52 176.67 1vkg h TYR 317 N 0.15 -0.69 -0.18 3.16 5.03 0.15 -2.41 116.97 122.19 1vkg h TYR 317 Ca -0.17 -0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.18 1vkg h TYR 317 Cb 1.95 0.23 -0.05 0.00 1.55 0.00 0.00 36.73 40.40 1vkg h TYR 317 CO 0.09 -0.38 -0.17 -0.07 -1.32 0.00 0.00 178.16 176.31 1vkg h LEU 318 N -0.87 -0.53 -1.28 2.82 3.38 -1.01 0.17 115.31 117.99 1vkg h LEU 318 Ca -0.08 0.10 0.17 0.00 0.09 0.00 0.00 57.88 58.17 1vkg h LEU 318 Cb 0.62 0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.55 1vkg h LEU 318 CO 0.12 -0.21 0.59 0.74 0.09 0.00 0.00 178.44 179.78 1vkg h THR 319 N -0.18 0.76 -0.35 0.22 2.02 -1.04 0.57 112.91 114.91 1vkg h THR 319 Ca 0.11 -0.22 -0.08 0.00 0.77 0.00 0.00 66.41 67.00 1vkg h THR 319 Cb 0.35 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1vkg h THR 319 CO -0.29 0.12 -0.12 1.23 0.37 0.00 0.00 175.52 176.83 1vkg h GLY 320 N 0.64 0.65 0.91 2.16 0.00 -0.24 -1.00 103.07 106.18 1vkg h GLY 320 Ca 0.49 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 1vkg h GLY 320 CO -0.24 0.43 -0.21 -2.08 0.00 0.00 0.00 176.54 174.44 1vkg h VAL 321 N 0.55 0.56 -0.96 4.60 2.07 0.21 0.85 116.25 124.14 1vkg h VAL 321 Ca 0.10 -0.17 0.23 0.00 0.82 0.00 0.00 66.70 67.68 1vkg h VAL 321 Cb 0.53 0.64 -0.12 0.00 -1.52 0.00 0.00 31.29 30.82 1vkg h VAL 321 CO 0.03 0.03 0.52 0.40 0.02 0.00 0.00 177.57 178.57 1vkg h ILE 322 N -0.70 0.54 0.00 4.57 2.04 -0.54 0.39 117.51 123.81 1vkg h ILE 322 Ca -0.06 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1vkg h ILE 322 Cb 0.51 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1vkg h ILE 322 CO 0.10 0.10 -0.26 -0.07 0.00 0.00 0.00 178.15 178.02 1vkg h LEU 323 N 0.54 0.00 -1.32 1.44 3.38 -0.74 -3.48 115.31 115.13 1vkg h LEU 323 Ca 0.60 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.38 1vkg h LEU 323 Cb 1.10 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.93 1vkg h LEU 323 CO -0.48 0.00 -0.36 0.61 0.09 0.00 0.00 178.44 178.30 1vkg n GLY 324 N 1.13 0.12 3.39 0.83 0.00 0.28 -5.04 105.19 105.91 1vkg n GLY 324 Ca 0.03 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 1vkg n GLY 324 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vkg s LYS 325 N -5.24 1.45 -0.07 1.61 -0.14 -0.25 -5.02 119.74 112.08 1vkg s LYS 325 Ca 0.17 -1.57 -0.03 0.00 -1.36 0.00 0.00 55.97 53.17 1vkg s LYS 325 Cb -0.07 -1.52 -0.04 0.00 -1.68 0.00 0.00 37.83 34.52 1vkg s LYS 325 CO 0.37 0.30 0.07 0.99 -0.76 0.00 0.00 175.35 176.32 1vkg s THR 326 N -2.29 4.83 0.29 2.17 2.01 -1.26 -4.52 115.64 116.87 1vkg s THR 326 Ca 0.22 -0.15 0.07 0.00 0.31 0.00 0.00 61.69 62.14 1vkg s THR 326 Cb -0.05 -3.12 -0.03 0.00 0.01 0.00 0.00 72.50 69.31 1vkg s THR 326 CO 0.10 0.53 0.24 -0.76 -0.69 0.00 0.00 174.62 174.03 1vkg s LEU 327 N -1.21 3.70 0.35 4.42 1.02 -1.26 -5.08 118.68 120.62 1vkg s LEU 327 Ca 0.17 -0.38 -0.28 0.00 0.02 0.00 0.00 54.13 53.66 1vkg s LEU 327 Cb -0.12 -2.27 -0.10 0.00 0.02 0.00 0.00 46.19 43.72 1vkg s LEU 327 CO 0.07 -0.19 1.30 -0.55 0.02 0.00 0.00 176.35 176.99 1vkg s SER 328 N -3.91 6.67 0.20 2.29 0.15 -1.26 -4.87 113.70 112.96 1vkg s SER 328 Ca 0.37 2.66 0.01 0.00 0.70 0.00 0.00 55.95 59.69 1vkg s SER 328 Cb -0.07 -2.65 0.13 0.00 -1.71 0.00 0.00 66.02 61.72 1vkg s SER 328 CO 0.26 -0.60 1.48 -1.28 1.20 0.00 0.00 173.24 174.30 1vkg h SER 329 N 3.21 0.38 -4.20 5.45 0.87 -1.98 -3.42 113.55 113.87 1vkg h SER 329 Ca -0.49 -0.24 -0.48 0.00 -1.23 0.00 0.00 61.79 59.35 1vkg h SER 329 Cb 1.23 -0.11 0.03 0.00 -0.44 0.00 0.00 62.40 63.11 1vkg h SER 329 CO 0.65 0.95 0.38 -0.70 -0.53 0.00 0.00 176.83 177.58 1vkg s GLU 330 N -3.65 3.80 -0.08 2.24 2.12 -1.26 -0.61 118.70 121.25 1vkg s GLU 330 Ca -0.05 1.01 -0.25 0.00 0.36 0.00 0.00 54.97 56.04 1vkg s GLU 330 Cb 0.11 -2.11 -0.03 0.00 0.26 0.00 0.00 34.13 32.36 1vkg s GLU 330 CO 0.82 -0.40 0.77 0.42 -0.54 0.00 0.00 175.26 176.33 1vkg s ILE 331 N -2.60 4.99 1.06 -3.70 -1.09 -0.01 -4.69 121.20 115.16 1vkg s ILE 331 Ca 0.60 1.57 -0.19 0.00 -2.23 0.00 0.00 60.65 60.40 1vkg s ILE 331 Cb -0.11 -4.10 0.07 0.00 -1.58 0.00 0.00 42.46 36.74 1vkg s ILE 331 CO 0.33 0.19 -0.20 -2.65 -1.23 0.00 0.00 174.94 171.38 1vkg n PRO 332 N 4.11 -1.50 -3.71 2.79 -0.02 -1.26 -4.96 135.00 130.46 1vkg n PRO 332 Ca 0.01 -0.43 -0.37 0.00 -2.02 0.00 0.00 63.50 60.69 1vkg n PRO 332 Cb 0.51 -1.49 -0.12 0.00 -0.02 0.00 0.00 33.50 32.38 1vkg n PRO 332 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1vkg s ASP 333 N -1.71 5.32 0.32 2.55 2.15 -1.26 -4.95 116.67 119.08 1vkg s ASP 333 Ca 0.45 -0.32 -0.02 0.00 0.43 0.00 0.00 52.55 53.09 1vkg s ASP 333 Cb -0.06 -1.96 -0.01 0.00 -0.30 0.00 0.00 42.92 40.60 1vkg s ASP 333 CO 0.55 -0.09 0.42 -1.38 -0.17 0.00 0.00 175.17 174.49 1vkg s HIS 334 N 1.62 1.08 0.64 -5.34 -3.43 -1.26 -5.05 115.29 103.55 1vkg s HIS 334 Ca 0.06 -1.28 0.17 0.00 -0.80 0.00 0.00 55.06 53.21 1vkg s HIS 334 Cb -0.16 -0.18 0.82 0.00 -1.43 0.00 0.00 32.58 31.64 1vkg s HIS 334 CO 0.05 -1.04 1.43 1.49 -2.00 0.00 0.00 174.74 174.67 1vkg h GLU 335 N 2.18 0.00 -2.09 -0.38 4.81 -1.96 -1.62 114.58 115.52 1vkg h GLU 335 Ca -0.28 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.39 1vkg h GLU 335 Cb 1.24 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 30.21 1vkg h GLU 335 CO 0.39 0.00 -0.79 1.19 -0.73 0.00 0.00 179.01 179.08 1vkg n PHE 336 N -2.92 3.07 -0.09 0.92 3.72 -1.26 -4.86 117.46 116.04 1vkg n PHE 336 Ca 0.06 -3.82 -0.18 0.00 -0.05 0.00 0.00 57.45 53.46 1vkg n PHE 336 Cb 0.91 -0.42 -0.11 0.00 -0.94 0.00 0.00 39.48 38.91 1vkg n PHE 336 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 1vkg h PHE 337 N 2.94 0.00 -0.91 1.38 3.57 -1.66 -3.37 116.94 118.89 1vkg h PHE 337 Ca 0.13 0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.89 1vkg h PHE 337 Cb 0.67 0.00 -0.16 0.00 2.79 0.00 0.00 35.95 39.26 1vkg h PHE 337 CO 0.75 1.20 0.16 1.79 -2.23 0.00 0.00 178.31 179.98 1vkg h THR 338 N -1.00 0.20 0.00 4.41 1.35 -1.89 -0.09 112.91 115.89 1vkg h THR 338 Ca -0.19 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1vkg h THR 338 Cb 1.12 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1vkg h THR 338 CO -0.12 0.02 0.22 0.00 -0.25 0.00 0.00 175.52 175.40 1vkg h ALA 339 N 1.85 1.15 -0.32 6.62 0.00 -1.96 -2.10 119.26 124.50 1vkg h ALA 339 Ca 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.47 1vkg h ALA 339 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1vkg h ALA 339 CO -0.75 -0.15 0.00 0.66 0.00 0.00 0.00 179.25 179.01 1vkg n TYR 340 N -2.15 1.16 -2.53 0.00 4.02 -0.05 -4.81 117.16 112.80 1vkg n TYR 340 Ca -0.01 -0.88 -0.23 0.00 -0.01 0.00 0.00 57.90 56.78 1vkg n TYR 340 Cb 0.25 -0.36 0.07 0.00 -0.02 0.00 0.00 39.34 39.27 1vkg n TYR 340 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1vkg s GLY 341 N -1.75 1.78 0.00 2.72 0.00 -0.79 -2.26 107.32 107.02 1vkg s GLY 341 Ca 0.45 -1.36 0.25 0.00 0.00 0.00 0.00 44.72 44.06 1vkg s GLY 341 CO 0.10 -0.97 1.41 -1.55 0.00 0.00 0.00 173.10 172.09 1vkg n PRO 342 N -2.62 1.88 -0.43 2.90 -0.04 -1.26 -4.77 135.00 130.66 1vkg n PRO 342 Ca 0.10 -1.41 0.09 0.00 -0.04 0.00 0.00 63.50 62.23 1vkg n PRO 342 Cb 0.60 -1.47 0.26 0.00 -0.04 0.00 0.00 33.50 32.85 1vkg n PRO 342 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1vkg n ASP 343 N 0.68 3.82 -1.59 3.54 8.00 -1.26 -5.01 116.55 124.73 1vkg n ASP 343 Ca 0.15 -3.03 0.00 0.00 0.71 0.00 0.00 54.79 52.62 1vkg n ASP 343 Cb 0.49 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1vkg n ASP 343 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1vkg n TYR 344 N -0.55 0.00 -4.57 1.24 4.02 -0.96 -4.89 117.16 111.45 1vkg n TYR 344 Ca 0.21 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.84 1vkg n TYR 344 Cb 0.88 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 40.11 1vkg n TYR 344 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1vkg s VAL 345 N -2.08 1.35 -0.78 -0.72 -7.23 -1.26 -0.83 120.40 108.87 1vkg s VAL 345 Ca 0.00 -2.00 0.23 0.00 -1.81 0.00 0.00 61.98 58.40 1vkg s VAL 345 Cb 0.00 -2.67 -0.10 0.00 0.56 0.00 0.00 36.38 34.17 1vkg s VAL 345 CO 0.00 0.00 1.11 -0.11 -0.31 0.00 0.00 175.10 175.79 1vkg n LEU 346 N -0.92 0.65 -4.90 1.32 7.94 0.22 -4.74 117.00 116.57 1vkg n LEU 346 Ca -0.07 -0.09 -0.29 0.00 -1.11 0.00 0.00 56.01 54.46 1vkg n LEU 346 Cb 0.67 -0.12 0.03 0.00 0.53 0.00 0.00 43.42 44.52 1vkg n LEU 346 CO 0.43 0.10 0.61 -1.61 -1.11 0.00 0.00 177.39 175.80 1vkg s GLU 347 N -3.11 3.14 0.07 1.96 8.01 -1.26 -4.84 118.70 122.67 1vkg s GLU 347 Ca 0.06 0.30 0.05 0.00 0.01 0.00 0.00 54.97 55.40 1vkg s GLU 347 Cb 0.15 -2.19 -0.03 0.00 -4.31 0.00 0.00 34.13 27.76 1vkg s GLU 347 CO 0.78 -0.68 -0.15 0.42 0.01 0.00 0.00 175.26 175.65 1vkg s ILE 348 N -3.08 1.18 -0.09 -1.63 1.01 -1.26 -5.14 121.20 112.18 1vkg s ILE 348 Ca 0.54 -1.25 0.02 0.00 0.00 0.00 0.00 60.65 59.96 1vkg s ILE 348 Cb -0.11 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.24 1vkg s ILE 348 CO 0.49 -0.14 -0.14 -0.89 0.00 0.00 0.00 174.94 174.25 1vkg s THR 349 N -1.15 3.03 1.09 2.92 2.01 -1.26 -4.96 115.64 117.32 1vkg s THR 349 Ca -0.00 -0.70 -0.20 0.00 0.31 0.00 0.00 61.69 61.10 1vkg s THR 349 Cb -0.09 -2.23 0.04 0.00 0.01 0.00 0.00 72.50 70.23 1vkg s THR 349 CO 0.02 0.55 -0.28 -2.65 -0.69 0.00 0.00 174.62 171.58 1vkg n PRO 350 N 2.99 -1.21 -3.83 4.92 -0.02 -1.26 -4.82 135.00 131.76 1vkg n PRO 350 Ca -0.18 -0.34 -0.21 0.00 -2.02 0.00 0.00 63.50 60.75 1vkg n PRO 350 Cb 0.52 -1.57 -0.04 0.00 -0.02 0.00 0.00 33.50 32.40 1vkg n PRO 350 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1vkg s SER 351 N -1.68 5.23 -1.24 2.55 0.01 -1.26 -5.03 113.70 112.28 1vkg s SER 351 Ca 0.52 -0.52 -0.09 0.00 1.31 0.00 0.00 55.95 57.16 1vkg s SER 351 Cb -0.08 -0.94 0.19 0.00 0.21 0.00 0.00 66.02 65.39 1vkg s SER 351 CO 0.67 -0.36 1.75 0.00 0.41 0.00 0.00 173.24 175.71 1vkg s ARG 353 N 0.13 0.63 0.82 0.00 0.52 -1.26 -5.15 118.95 114.65 1vkg s ARG 353 Ca 0.39 -0.75 -0.12 0.00 -0.52 0.00 0.00 55.73 54.73 1vkg s ARG 353 Cb 0.07 -0.51 0.09 0.00 0.52 0.00 0.00 34.95 35.12 1vkg s ARG 353 CO 0.01 0.11 1.12 -1.25 0.02 0.00 0.00 175.30 175.31 1vkg s PRO 354 N -1.44 1.87 -0.10 3.54 0.04 -1.26 -4.96 135.00 132.69 1vkg s PRO 354 Ca -0.06 0.44 -0.06 0.00 0.04 0.00 0.00 61.00 61.36 1vkg s PRO 354 Cb -0.09 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1vkg s PRO 354 CO 0.01 -1.73 0.12 0.34 0.04 0.00 0.00 177.00 175.78 1vkg s ASP 355 N -4.09 6.16 -0.23 6.66 -1.08 -1.25 -3.93 116.67 118.91 1vkg s ASP 355 Ca 0.62 0.39 0.13 0.00 -0.52 0.00 0.00 52.55 53.17 1vkg s ASP 355 Cb -0.14 -1.94 0.48 0.00 -1.46 0.00 0.00 42.92 39.86 1vkg s ASP 355 CO 0.53 0.39 1.40 0.54 0.52 0.00 0.00 175.17 178.55 1vkg n ARG 356 N 1.92 2.11 -3.23 4.34 5.12 0.51 -4.85 116.66 122.58 1vkg n ARG 356 Ca -0.19 -3.01 -0.45 0.00 -1.93 0.00 0.00 57.85 52.27 1vkg n ARG 356 Cb 0.55 -1.78 -0.00 0.00 -1.16 0.00 0.00 32.46 30.06 1vkg n ARG 356 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1vkg s ASN 357 N -2.42 7.23 -0.34 0.55 -0.87 -1.26 -4.83 114.94 112.99 1vkg s ASN 357 Ca 0.42 -3.39 -0.39 0.00 -1.57 0.00 0.00 52.86 47.93 1vkg s ASN 357 Cb 0.37 -2.26 -0.15 0.00 -0.02 0.00 0.00 41.25 39.19 1vkg s ASN 357 CO 0.03 -0.43 1.97 -0.62 -2.57 0.00 0.00 177.10 175.49 1vkg n GLU 358 N 3.55 0.94 -0.23 -0.60 1.02 -1.26 -4.75 120.64 119.30 1vkg n GLU 358 Ca 0.27 0.30 -0.03 0.00 -0.02 0.00 0.00 57.16 57.68 1vkg n GLU 358 Cb 0.41 -2.14 0.08 0.00 -0.02 0.00 0.00 31.44 29.77 1vkg n GLU 358 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1vkg h PRO 359 N 9.43 0.73 -0.76 3.49 0.13 -2.01 -0.37 132.00 142.64 1vkg h PRO 359 Ca -0.34 -0.04 0.08 0.00 -0.87 0.00 0.00 66.00 64.83 1vkg h PRO 359 Cb 1.34 -0.16 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 1vkg h PRO 359 CO 1.00 0.48 0.43 1.12 -0.23 0.00 0.00 178.00 180.80 1vkg h HIS 360 N 0.75 0.78 -0.52 1.56 2.07 -2.02 -2.32 115.15 115.46 1vkg h HIS 360 Ca 0.28 0.03 -0.02 0.00 -2.85 0.00 0.00 60.37 57.80 1vkg h HIS 360 Cb 0.10 -0.24 -0.02 0.00 2.57 0.00 0.00 27.41 29.82 1vkg h HIS 360 CO -0.06 0.35 0.23 -0.09 -3.07 0.00 0.00 177.93 175.28 1vkg h ARG 361 N 0.75 0.76 -0.19 5.12 9.65 -1.42 -3.02 114.38 126.03 1vkg h ARG 361 Ca 0.35 -0.13 0.05 0.00 -1.10 0.00 0.00 59.98 59.16 1vkg h ARG 361 Cb 0.27 -0.13 -0.07 0.00 -1.39 0.00 0.00 29.97 28.65 1vkg h ARG 361 CO -0.21 0.65 -0.34 0.82 2.80 0.00 0.00 179.97 183.69 1vkg h ILE 362 N 0.69 0.25 -0.65 1.20 1.08 -1.36 -1.91 117.51 116.81 1vkg h ILE 362 Ca 0.18 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.78 1vkg h ILE 362 Cb 0.16 0.25 -0.10 0.00 -3.07 0.00 0.00 36.82 34.05 1vkg h ILE 362 CO -0.02 0.00 0.07 -0.61 -0.69 0.00 0.00 178.15 176.90 1vkg h GLN 363 N -0.38 0.18 -0.97 2.37 5.75 -1.39 0.17 115.11 120.83 1vkg h GLN 363 Ca 0.11 -0.01 0.29 0.00 -0.15 0.00 0.00 58.65 58.89 1vkg h GLN 363 Cb 0.56 -0.04 -0.14 0.00 1.07 0.00 0.00 27.48 28.93 1vkg h GLN 363 CO -0.40 0.12 0.49 1.96 -2.65 0.00 0.00 178.83 178.34 1vkg h GLN 364 N 0.18 0.32 0.19 1.69 4.20 -1.25 0.28 115.11 120.73 1vkg h GLN 364 Ca 0.35 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 1vkg h GLN 364 Cb 0.57 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1vkg h GLN 364 CO -0.51 0.21 -0.09 0.82 -0.67 0.00 0.00 178.83 178.60 1vkg h ILE 365 N 0.33 0.91 -0.70 2.54 2.04 -0.57 -0.16 117.51 121.90 1vkg h ILE 365 Ca 0.68 -0.85 0.20 0.00 1.00 0.00 0.00 64.86 65.89 1vkg h ILE 365 Cb 1.47 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.91 1vkg h ILE 365 CO -0.60 0.18 0.60 -0.07 0.00 0.00 0.00 178.15 178.26 1vkg h LEU 366 N -0.69 0.00 0.00 1.44 3.38 0.33 -0.95 115.31 118.82 1vkg h LEU 366 Ca -0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 1vkg h LEU 366 Cb 0.49 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1vkg h LEU 366 CO 0.04 0.00 -0.94 0.78 0.09 0.00 0.00 178.44 178.41 1vkg h ASN 367 N 0.00 0.00 -0.72 -0.43 4.21 -0.40 -2.72 115.58 115.52 1vkg h ASN 367 Ca 0.33 -0.51 0.15 0.00 1.21 0.00 0.00 56.30 57.48 1vkg h ASN 367 Cb 1.52 0.00 -0.14 0.00 -1.12 0.00 0.00 38.32 38.59 1vkg h ASN 367 CO -0.00 1.30 -0.15 0.22 -1.29 0.00 0.00 177.43 177.51 1vkg h TYR 368 N -1.00 -0.33 0.18 1.19 3.20 -0.26 -0.26 116.97 119.70 1vkg h TYR 368 Ca -0.24 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.68 1vkg h TYR 368 Cb 1.13 0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.65 1vkg h TYR 368 CO 0.09 -0.30 -0.15 0.82 -1.64 0.00 0.00 178.16 176.98 1vkg h ILE 369 N 0.01 0.00 -1.36 1.81 2.04 -1.34 0.18 117.51 118.87 1vkg h ILE 369 Ca 0.35 0.00 0.39 0.00 1.00 0.00 0.00 64.86 66.61 1vkg h ILE 369 Cb 0.56 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 1vkg h ILE 369 CO -0.73 0.00 0.97 0.11 0.00 0.00 0.00 178.15 178.50 1vkg h LYS 370 N -0.32 0.03 0.04 2.37 1.57 -1.04 0.55 116.57 119.77 1vkg h LYS 370 Ca -0.02 -0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.57 1vkg h LYS 370 Cb 0.27 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.59 1vkg h LYS 370 CO 0.00 0.02 -0.75 0.78 -0.57 0.00 0.00 179.45 178.93 1vkg h GLY 371 N 0.03 0.48 1.46 3.86 0.00 -0.53 -3.15 103.07 105.22 1vkg h GLY 371 Ca 0.66 -0.93 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1vkg h GLY 371 CO -0.05 0.82 0.33 3.43 0.00 0.00 0.00 176.54 181.07 1vkg h ASN 372 N -0.08 0.63 0.00 0.19 -0.26 0.30 -1.68 115.58 114.68 1vkg h ASN 372 Ca -0.11 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.61 1vkg h ASN 372 Cb 1.48 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 38.58 1vkg h ASN 372 CO 0.15 0.48 0.00 0.18 -1.06 0.00 0.00 177.43 177.18 1vkg n LEU 373 N -4.43 1.43 -0.08 1.61 4.77 0.61 -2.54 117.00 118.37 1vkg n LEU 373 Ca 0.05 -0.71 -0.21 0.00 -0.03 0.00 0.00 56.01 55.10 1vkg n LEU 373 Cb 0.07 -0.44 -0.12 0.00 -2.33 0.00 0.00 43.42 40.60 1vkg n LEU 373 CO 0.36 0.29 -1.09 0.29 -1.33 0.00 0.00 177.39 175.91 1vkg n LYS 374 N 0.22 0.68 -0.02 3.23 4.76 -0.63 -4.20 118.16 122.19 1vkg n LYS 374 Ca 0.00 0.24 -0.00 0.00 -2.87 0.00 0.00 58.31 55.68 1vkg n LYS 374 Cb 0.29 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 1vkg n LYS 374 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1vkg n HIS 375 N -3.57 0.06 -5.14 2.13 8.25 -1.05 -4.80 115.22 111.10 1vkg n HIS 375 Ca -0.41 -0.52 -0.32 0.00 -0.26 0.00 0.00 57.72 56.21 1vkg n HIS 375 Cb 0.97 -0.26 -0.15 0.00 1.12 0.00 0.00 29.99 31.67 1vkg n HIS 375 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1vkg s VAL 376 N -0.06 2.42 0.00 1.59 1.01 -1.26 -4.98 120.40 119.12 1vkg s VAL 376 Ca 0.01 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1vkg s VAL 376 Cb 0.01 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.50 1vkg s VAL 376 CO 0.00 0.57 0.39 1.33 0.00 0.00 0.00 175.10 177.39