#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vlu s ALA 11 N 0.00 3.41 0.36 1.55 0.00 -1.26 -5.01 121.76 120.81 2vlu s ALA 11 Ca 0.00 1.12 -0.26 0.00 0.00 0.00 0.00 51.96 52.82 2vlu s ALA 11 Cb 0.00 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 2vlu s ALA 11 CO 0.00 -0.50 1.07 0.00 0.00 0.00 0.00 175.76 176.33 2vlu s ALA 12 N -1.19 3.20 0.16 0.00 0.00 -1.26 -5.05 121.76 117.61 2vlu s ALA 12 Ca 0.49 0.77 0.06 0.00 0.00 0.00 0.00 51.96 53.28 2vlu s ALA 12 Cb -0.36 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 2vlu s ALA 12 CO 0.47 -0.20 -0.13 -2.00 0.00 0.00 0.00 175.76 173.91 2vlu s GLU 13 N -2.12 1.13 0.30 0.00 2.12 -1.26 -3.56 118.70 115.31 2vlu s GLU 13 Ca 0.53 -1.43 -0.29 0.00 0.36 0.00 0.00 54.97 54.14 2vlu s GLU 13 Cb -0.26 -0.85 -0.10 0.00 0.26 0.00 0.00 34.13 33.18 2vlu s GLU 13 CO 0.32 0.14 1.35 0.08 -0.54 0.00 0.00 175.26 176.61 2vlu s VAL 14 N -2.88 2.72 -0.29 3.70 1.01 -1.26 -4.68 120.40 118.71 2vlu s VAL 14 Ca 0.16 0.67 -0.10 0.00 0.00 0.00 0.00 61.98 62.71 2vlu s VAL 14 Cb -0.01 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2vlu s VAL 14 CO 0.03 0.14 0.17 -0.63 0.00 0.00 0.00 175.10 174.81 2vlu s ILE 15 N -0.69 5.02 -0.51 2.22 1.09 0.22 -4.97 121.20 123.58 2vlu s ILE 15 Ca 0.53 -0.03 -0.24 0.00 -1.10 0.00 0.00 60.65 59.81 2vlu s ILE 15 Cb -0.40 -3.44 0.04 0.00 -1.06 0.00 0.00 42.46 37.60 2vlu s ILE 15 CO 0.49 0.20 0.88 -0.55 -0.10 0.00 0.00 174.94 175.86 2vlu s SER 16 N 1.71 6.37 -0.27 3.58 0.15 -1.26 -0.71 113.70 123.27 2vlu s SER 16 Ca 0.06 -0.26 -0.19 0.00 0.70 0.00 0.00 55.95 56.26 2vlu s SER 16 Cb -0.16 -2.42 -0.02 0.00 -1.71 0.00 0.00 66.02 61.71 2vlu s SER 16 CO 0.09 -1.10 0.58 -0.69 1.20 0.00 0.00 173.24 173.32 2vlu s VAL 17 N 3.66 5.01 -0.54 4.45 1.01 -0.24 -4.94 120.40 128.81 2vlu s VAL 17 Ca 0.30 0.95 0.05 0.00 0.00 0.00 0.00 61.98 63.28 2vlu s VAL 17 Cb -0.12 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.37 2vlu s VAL 17 CO 0.21 0.01 0.56 1.41 0.00 0.00 0.00 175.10 177.29 2vlu n HIS 18 N 5.67 0.00 -3.85 5.22 8.25 -1.26 -4.54 115.22 124.71 2vlu n HIS 18 Ca -0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.35 2vlu n HIS 18 Cb 0.49 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.53 2vlu n HIS 18 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2vlu s SER 19 N -0.62 0.10 0.35 0.41 1.04 -1.26 -4.96 113.70 108.76 2vlu s SER 19 Ca 0.05 -0.61 0.06 0.00 0.48 0.00 0.00 55.95 55.94 2vlu s SER 19 Cb 0.04 0.34 0.66 0.00 0.10 0.00 0.00 66.02 67.16 2vlu s SER 19 CO 0.09 -0.71 1.89 -0.07 0.98 0.00 0.00 173.24 175.41 2vlu h LEU 20 N 2.83 0.39 -0.63 2.42 3.38 -1.96 -1.34 115.31 120.40 2vlu h LEU 20 Ca -0.34 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 2vlu h LEU 20 Cb 1.20 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 2vlu h LEU 20 CO 0.55 0.50 0.24 -0.33 0.09 0.00 0.00 178.44 179.49 2vlu h GLU 21 N 0.40 0.95 -0.31 1.13 3.07 -1.99 -0.79 114.58 117.04 2vlu h GLU 21 Ca 0.08 -0.18 -0.16 0.00 -0.50 0.00 0.00 59.36 58.60 2vlu h GLU 21 Cb 0.35 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 2vlu h GLU 21 CO 0.02 0.81 -0.45 0.37 -1.40 0.00 0.00 179.01 178.36 2vlu h GLN 22 N 0.89 0.81 0.12 2.33 4.15 -1.89 -2.08 115.11 119.45 2vlu h GLN 22 Ca 0.21 -0.45 0.01 0.00 0.77 0.00 0.00 58.65 59.19 2vlu h GLN 22 Cb 0.22 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 2vlu h GLN 22 CO -0.01 1.09 -0.23 2.35 -1.93 0.00 0.00 178.83 180.10 2vlu h TRP 23 N 0.65 -0.60 -0.59 3.99 2.91 -1.09 -1.82 115.95 119.40 2vlu h TRP 23 Ca 0.04 0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.15 2vlu h TRP 23 Cb 1.02 0.25 -0.06 0.00 -0.51 0.00 0.00 29.16 29.86 2vlu h TRP 23 CO 0.06 -0.32 0.25 1.15 -1.03 0.00 0.00 178.44 178.55 2vlu h THR 24 N -0.43 0.84 -0.32 2.65 2.02 -1.06 -1.49 112.91 115.14 2vlu h THR 24 Ca 0.03 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 2vlu h THR 24 Cb 0.44 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 2vlu h THR 24 CO -0.12 0.08 0.13 0.24 0.37 0.00 0.00 175.52 176.23 2vlu h MET 25 N 0.46 0.47 -0.25 6.66 2.86 -1.23 -0.65 114.93 123.26 2vlu h MET 25 Ca 0.28 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 2vlu h MET 25 Cb 0.29 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2vlu h MET 25 CO -0.25 0.47 0.11 1.96 1.06 0.00 0.00 176.91 180.27 2vlu h GLN 26 N 0.37 0.37 -0.43 1.72 1.08 -0.98 -1.88 115.11 115.36 2vlu h GLN 26 Ca 0.11 -0.06 -0.07 0.00 -1.45 0.00 0.00 58.65 57.17 2vlu h GLN 26 Cb 0.17 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 2vlu h GLN 26 CO -0.01 0.39 -0.02 0.82 -0.95 0.00 0.00 178.83 179.06 2vlu h ILE 27 N 0.27 1.26 -0.04 2.54 1.08 -1.23 -1.34 117.51 120.05 2vlu h ILE 27 Ca 0.09 -1.06 0.03 0.00 -0.39 0.00 0.00 64.86 63.52 2vlu h ILE 27 Cb 0.15 1.09 -0.03 0.00 -3.07 0.00 0.00 36.82 34.96 2vlu h ILE 27 CO -0.01 0.36 -0.13 -0.33 -0.69 0.00 0.00 178.15 177.35 2vlu h GLU 28 N 0.60 -0.20 -0.32 2.37 5.08 -1.05 -0.17 114.58 120.89 2vlu h GLU 28 Ca 0.12 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 2vlu h GLU 28 Cb 0.51 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2vlu h GLU 28 CO 0.03 -0.13 -0.24 0.93 -1.00 0.00 0.00 179.01 178.59 2vlu h GLU 29 N -0.20 0.64 -0.46 2.33 5.08 -1.28 -1.30 114.58 119.39 2vlu h GLU 29 Ca 0.06 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 2vlu h GLU 29 Cb 0.29 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2vlu h GLU 29 CO -0.16 0.82 0.10 0.00 -1.00 0.00 0.00 179.01 178.77 2vlu h ALA 30 N 1.18 0.60 -0.72 3.43 0.00 -1.10 -2.24 119.26 120.41 2vlu h ALA 30 Ca 0.08 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2vlu h ALA 30 Cb 0.71 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2vlu h ALA 30 CO 0.05 0.30 0.20 -0.91 0.00 0.00 0.00 179.25 178.89 2vlu h ASN 31 N 0.61 1.07 -0.55 0.00 2.35 -0.70 0.37 115.58 118.74 2vlu h ASN 31 Ca 0.14 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.61 2vlu h ASN 31 Cb 0.34 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 2vlu h ASN 31 CO 0.00 1.02 0.13 0.74 -1.65 0.00 0.00 177.43 177.66 2vlu h THR 32 N 1.08 1.24 -0.01 2.81 2.02 -1.23 -2.35 112.91 116.48 2vlu h THR 32 Ca 0.23 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.51 2vlu h THR 32 Cb 0.34 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2vlu h THR 32 CO -0.00 0.34 -0.01 0.00 0.37 0.00 0.00 175.52 176.22 2vlu n ALA 33 N -2.46 2.65 -3.91 6.16 0.00 -0.84 -4.93 120.51 117.17 2vlu n ALA 33 Ca 0.04 -0.30 -0.27 0.00 0.00 0.00 0.00 53.44 52.92 2vlu n ALA 33 Cb 0.25 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.33 2vlu n ALA 33 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2vlu n LYS 34 N -0.55 -4.26 -3.87 0.00 5.02 -0.07 -4.97 118.16 109.46 2vlu n LYS 34 Ca 0.21 0.51 -0.33 0.00 -2.02 0.00 0.00 58.31 56.68 2vlu n LYS 34 Cb 0.22 -5.02 -0.05 0.00 -0.02 0.00 0.00 35.03 30.16 2vlu n LYS 34 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2vlu s LYS 35 N -6.46 3.48 0.29 1.97 1.02 -0.10 -4.97 119.74 114.97 2vlu s LYS 35 Ca 0.26 -0.28 -0.29 0.00 0.02 0.00 0.00 55.97 55.68 2vlu s LYS 35 Cb -0.14 -3.07 -0.10 0.00 -0.52 0.00 0.00 37.83 34.00 2vlu s LYS 35 CO 0.86 0.65 1.40 -1.17 -0.92 0.00 0.00 175.35 176.17 2vlu s LEU 36 N -2.03 4.39 -0.15 3.17 2.96 -1.26 -4.51 118.68 121.25 2vlu s LEU 36 Ca 0.29 2.71 0.00 0.00 -0.22 0.00 0.00 54.13 56.91 2vlu s LEU 36 Cb -0.13 -3.64 -0.00 0.00 0.50 0.00 0.00 46.19 42.92 2vlu s LEU 36 CO 0.20 -0.66 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.72 2vlu s VAL 37 N -0.47 2.68 -0.21 1.68 1.01 0.89 -0.44 120.40 125.55 2vlu s VAL 37 Ca 0.55 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 2vlu s VAL 37 Cb -0.42 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 33.84 2vlu s VAL 37 CO 0.48 0.52 -0.10 -0.69 0.00 0.00 0.00 175.10 175.30 2vlu s VAL 38 N 0.78 2.86 -0.18 2.92 1.01 0.27 -0.34 120.40 127.72 2vlu s VAL 38 Ca -0.06 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 2vlu s VAL 38 Cb -0.15 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 2vlu s VAL 38 CO 0.00 0.46 -0.05 -0.63 0.00 0.00 0.00 175.10 174.89 2vlu s ILE 39 N 1.40 3.64 -0.49 2.22 1.09 0.33 -0.83 121.20 128.56 2vlu s ILE 39 Ca 0.05 -0.43 -0.19 0.00 -1.10 0.00 0.00 60.65 58.98 2vlu s ILE 39 Cb -0.14 -2.61 0.05 0.00 -1.06 0.00 0.00 42.46 38.70 2vlu s ILE 39 CO -0.07 0.47 0.63 -0.62 -0.10 0.00 0.00 174.94 175.25 2vlu s ASP 40 N 0.77 6.24 -0.40 3.58 2.15 0.71 -0.92 116.67 128.81 2vlu s ASP 40 Ca -0.02 -0.79 -0.25 0.00 0.43 0.00 0.00 52.55 51.92 2vlu s ASP 40 Cb -0.15 -2.30 0.02 0.00 -0.30 0.00 0.00 42.92 40.19 2vlu s ASP 40 CO 0.02 -0.88 0.88 -0.36 -0.17 0.00 0.00 175.17 174.66 2vlu s PHE 41 N 2.70 3.04 0.31 -5.34 0.08 0.65 -1.04 117.98 118.38 2vlu s PHE 41 Ca 0.17 0.58 0.03 0.00 0.12 0.00 0.00 56.93 57.83 2vlu s PHE 41 Cb -0.18 -3.68 -0.06 0.00 -0.57 0.00 0.00 43.02 38.53 2vlu s PHE 41 CO 0.13 -0.89 0.07 -0.08 -0.10 0.00 0.00 175.22 174.36 2vlu s THR 42 N 3.45 1.00 -0.01 0.64 -1.32 -0.07 -1.92 115.64 117.41 2vlu s THR 42 Ca 0.36 -2.00 -0.04 0.00 -1.21 0.00 0.00 61.69 58.80 2vlu s THR 42 Cb -0.12 -2.74 -0.00 0.00 -1.51 0.00 0.00 72.50 68.13 2vlu s THR 42 CO 0.21 0.00 0.08 0.00 -2.21 0.00 0.00 174.62 172.69 2vlu s ALA 43 N -3.42 -0.17 0.41 11.08 0.00 -1.26 -1.50 121.76 126.90 2vlu s ALA 43 Ca 0.37 -0.08 0.14 0.00 0.00 0.00 0.00 51.96 52.39 2vlu s ALA 43 Cb 0.08 0.01 0.88 0.00 0.00 0.00 0.00 23.12 24.09 2vlu s ALA 43 CO 0.15 -0.13 1.91 0.66 0.00 0.00 0.00 175.76 178.35 2vlu h SER 44 N 5.10 0.00 -0.28 0.00 4.64 -2.01 -2.88 113.55 118.12 2vlu h SER 44 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2vlu h SER 44 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2vlu h SER 44 CO 0.43 0.28 0.00 -2.67 -0.87 0.00 0.00 176.83 173.99 2vlu n TRP 45 N -4.18 0.38 -3.76 4.77 4.27 -1.26 -4.89 117.44 112.77 2vlu n TRP 45 Ca -0.02 -0.19 -0.37 0.00 -3.89 0.00 0.00 57.50 53.03 2vlu n TRP 45 Cb 0.33 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.15 2vlu n TRP 45 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2vlu h GLY 47 N 8.13 -0.63 0.64 0.00 0.00 -1.90 -2.91 103.07 106.40 2vlu h GLY 47 Ca -0.38 0.23 0.19 0.00 0.00 0.00 0.00 47.33 47.38 2vlu h GLY 47 CO 0.58 -0.23 0.49 -2.55 0.00 0.00 0.00 176.54 174.83 2vlu h PRO 48 N -0.80 0.05 -0.64 4.80 0.11 -1.95 -1.20 132.00 132.37 2vlu h PRO 48 Ca -0.06 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.96 2vlu h PRO 48 Cb 0.55 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.63 2vlu h PRO 48 CO 0.10 0.03 0.08 0.00 -0.21 0.00 0.00 178.00 178.01 2vlu h ARG 50 N 0.99 0.73 -0.37 0.00 3.08 -1.04 -2.09 114.38 115.68 2vlu h ARG 50 Ca 0.19 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 2vlu h ARG 50 Cb 0.45 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 2vlu h ARG 50 CO 0.02 0.86 0.20 0.82 -1.07 0.00 0.00 179.97 180.79 2vlu h ILE 51 N 0.65 1.15 0.00 2.04 2.04 -1.27 -3.18 117.51 118.94 2vlu h ILE 51 Ca 0.10 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2vlu h ILE 51 Cb 0.65 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2vlu h ILE 51 CO 0.05 0.15 0.00 0.24 0.00 0.00 0.00 178.15 178.59 2vlu h MET 52 N 0.47 0.00 -0.02 2.37 2.86 -1.23 -3.37 114.93 116.01 2vlu h MET 52 Ca 0.13 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.80 2vlu h MET 52 Cb 0.07 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.67 2vlu h MET 52 CO -0.02 0.00 -0.31 0.00 1.06 0.00 0.00 176.91 177.64 2vlu h ALA 53 N 2.27 -0.43 -0.27 6.32 0.00 -1.35 0.10 119.26 125.89 2vlu h ALA 53 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2vlu h ALA 53 Cb 0.81 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2vlu h ALA 53 CO 0.00 -0.82 -0.05 -1.00 0.00 0.00 0.00 179.25 177.38 2vlu h PRO 54 N -0.45 0.43 -0.41 0.00 0.13 -1.77 -1.53 132.00 128.40 2vlu h PRO 54 Ca 0.07 -0.10 -0.02 0.00 -0.87 0.00 0.00 66.00 65.08 2vlu h PRO 54 Cb 0.55 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 2vlu h PRO 54 CO -0.28 0.50 0.18 0.28 -0.23 0.00 0.00 178.00 178.46 2vlu h VAL 55 N 0.41 1.18 -0.50 1.56 2.07 -1.59 -0.92 116.25 118.46 2vlu h VAL 55 Ca 0.09 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 2vlu h VAL 55 Cb 0.36 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2vlu h VAL 55 CO 0.02 0.20 -0.01 0.15 0.02 0.00 0.00 177.57 177.95 2vlu h PHE 56 N 0.52 0.97 -0.70 1.57 3.57 -0.58 -2.17 116.94 120.12 2vlu h PHE 56 Ca 0.14 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 2vlu h PHE 56 Cb 0.14 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 2vlu h PHE 56 CO -0.01 0.91 0.35 0.00 -2.23 0.00 0.00 178.31 177.33 2vlu h ALA 57 N 0.93 0.90 -0.50 2.41 0.00 -1.16 -2.02 119.26 119.83 2vlu h ALA 57 Ca 0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2vlu h ALA 57 Cb 0.53 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2vlu h ALA 57 CO 0.03 0.46 0.18 0.22 0.00 0.00 0.00 179.25 180.14 2vlu h ASP 58 N 0.98 0.70 -0.60 0.00 1.82 -1.04 -2.68 116.42 115.59 2vlu h ASP 58 Ca 0.24 -0.18 -0.03 0.00 -0.39 0.00 0.00 57.03 56.67 2vlu h ASP 58 Cb 0.10 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 39.90 2vlu h ASP 58 CO -0.03 0.69 0.26 -0.07 -1.61 0.00 0.00 179.24 178.48 2vlu h LEU 59 N 0.66 0.84 -0.94 2.28 3.38 -1.27 -2.15 115.31 118.13 2vlu h LEU 59 Ca 0.16 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.06 2vlu h LEU 59 Cb 0.22 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 2vlu h LEU 59 CO -0.01 0.75 0.61 0.00 0.09 0.00 0.00 178.44 179.88 2vlu h ALA 60 N 1.37 1.24 0.00 1.53 0.00 -1.04 -0.66 119.26 121.70 2vlu h ALA 60 Ca 0.22 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2vlu h ALA 60 Cb 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2vlu h ALA 60 CO -0.02 0.49 -0.37 1.57 0.00 0.00 0.00 179.25 180.92 2vlu h LYS 61 N 1.18 0.00 0.00 0.00 2.10 -1.26 -3.20 116.57 115.39 2vlu h LYS 61 Ca 0.37 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.01 2vlu h LYS 61 Cb -0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.32 2vlu h LYS 61 CO -0.12 0.37 -0.07 0.87 -2.00 0.00 0.00 179.45 178.50 2vlu h LYS 62 N 0.00 0.00 -2.20 0.07 1.57 -0.74 -3.39 116.57 111.88 2vlu h LYS 62 Ca -0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.19 2vlu h LYS 62 Cb 1.26 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.17 2vlu h LYS 62 CO 0.05 0.07 -0.86 1.19 -0.57 0.00 0.00 179.45 179.33 2vlu n PHE 63 N -3.12 1.37 0.30 -1.35 3.01 -0.31 -4.96 117.46 112.39 2vlu n PHE 63 Ca 0.04 -3.82 0.19 0.00 1.01 0.00 0.00 57.45 54.86 2vlu n PHE 63 Cb 0.54 -0.39 0.87 0.00 -0.01 0.00 0.00 39.48 40.50 2vlu n PHE 63 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2vlu h PRO 64 N 4.36 0.00 -0.00 -1.08 0.13 -1.75 -2.24 132.00 131.41 2vlu h PRO 64 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2vlu h PRO 64 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2vlu h PRO 64 CO 0.61 0.01 -0.04 0.09 -0.23 0.00 0.00 178.00 178.45 2vlu n ASN 65 N -3.13 0.12 -4.70 1.44 3.02 -1.26 -4.78 115.26 105.96 2vlu n ASN 65 Ca -0.01 -0.25 -0.29 0.00 -0.03 0.00 0.00 54.58 54.00 2vlu n ASN 65 Cb 0.22 -0.22 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 2vlu n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2vlu s ALA 66 N -2.56 3.33 -0.28 5.41 0.00 -0.84 -4.48 121.76 122.34 2vlu s ALA 66 Ca 0.28 -1.14 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 2vlu s ALA 66 Cb 0.20 -1.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.06 2vlu s ALA 66 CO 0.47 0.67 0.21 0.08 0.00 0.00 0.00 175.76 177.19 2vlu s VAL 67 N -1.40 5.30 -0.30 0.00 1.01 0.42 -4.98 120.40 120.45 2vlu s VAL 67 Ca 0.27 0.21 -0.08 0.00 0.00 0.00 0.00 61.98 62.38 2vlu s VAL 67 Cb -0.11 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.72 2vlu s VAL 67 CO 0.19 0.24 0.11 -0.36 0.00 0.00 0.00 175.10 175.28 2vlu s PHE 68 N 1.78 3.16 0.04 5.22 0.40 -1.26 -0.57 117.98 126.75 2vlu s PHE 68 Ca 0.08 -0.77 0.05 0.00 -0.60 0.00 0.00 56.93 55.69 2vlu s PHE 68 Cb -0.16 -2.30 -0.03 0.00 0.51 0.00 0.00 43.02 41.04 2vlu s PHE 68 CO 0.11 -0.51 -0.11 -0.51 0.70 0.00 0.00 175.22 174.89 2vlu s LEU 69 N 1.55 2.94 -0.15 -0.37 1.43 -0.01 -0.61 118.68 123.47 2vlu s LEU 69 Ca 0.04 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 2vlu s LEU 69 Cb -0.17 -1.72 -0.00 0.00 0.03 0.00 0.00 46.19 44.33 2vlu s LEU 69 CO 0.04 0.25 -0.16 -0.75 0.23 0.00 0.00 176.35 175.97 2vlu s LYS 70 N -1.59 3.22 -0.11 1.70 2.20 0.12 -0.21 119.74 125.07 2vlu s LYS 70 Ca 0.17 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 55.03 2vlu s LYS 70 Cb -0.11 -2.61 0.02 0.00 -1.51 0.00 0.00 37.83 33.63 2vlu s LYS 70 CO 0.08 0.04 -0.09 0.08 -0.36 0.00 0.00 175.35 175.10 2vlu s VAL 71 N 0.75 1.14 -0.15 4.02 1.01 -0.20 -1.08 120.40 125.89 2vlu s VAL 71 Ca -0.06 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 2vlu s VAL 71 Cb -0.15 -1.12 -0.00 0.00 0.00 0.00 0.00 36.38 35.10 2vlu s VAL 71 CO 0.01 0.38 1.01 -0.62 0.00 0.00 0.00 175.10 175.88 2vlu s ASP 72 N 1.51 7.19 0.51 3.32 -1.08 -1.26 -0.89 116.67 125.96 2vlu s ASP 72 Ca 0.02 1.47 0.28 0.00 -0.52 0.00 0.00 52.55 53.79 2vlu s ASP 72 Cb -0.13 -2.55 1.33 0.00 -1.46 0.00 0.00 42.92 40.11 2vlu s ASP 72 CO -0.07 -0.52 2.00 -0.37 0.52 0.00 0.00 175.17 176.74 2vlu h VAL 73 N 5.22 0.49 0.02 1.11 -1.51 -1.58 -1.64 116.25 118.36 2vlu h VAL 73 Ca -0.27 -0.69 -0.23 0.00 -1.23 0.00 0.00 66.70 64.28 2vlu h VAL 73 Cb 1.12 1.47 -0.03 0.00 -2.13 0.00 0.00 31.29 31.72 2vlu h VAL 73 CO 0.89 0.14 -1.15 0.44 -1.23 0.00 0.00 177.57 176.66 2vlu h ASP 74 N 0.00 0.06 0.04 4.19 3.32 -1.92 -3.27 116.42 118.84 2vlu h ASP 74 Ca -0.00 -0.08 -0.20 0.00 0.02 0.00 0.00 57.03 56.77 2vlu h ASP 74 Cb 0.46 -0.02 0.02 0.00 0.22 0.00 0.00 39.33 40.01 2vlu h ASP 74 CO 0.02 1.06 -0.82 -0.08 -1.72 0.00 0.00 179.24 177.70 2vlu h GLU 75 N 0.01 0.49 -2.19 3.56 4.81 -1.78 -3.39 114.58 116.10 2vlu h GLU 75 Ca -0.07 -0.58 -0.59 0.00 -0.13 0.00 0.00 59.36 57.98 2vlu h GLU 75 Cb 1.84 0.18 -0.42 0.00 0.63 0.00 0.00 28.75 30.98 2vlu h GLU 75 CO 0.13 1.21 -0.64 1.28 -0.73 0.00 0.00 179.01 180.26 2vlu n LEU 76 N -4.07 3.56 -0.18 1.64 4.77 -0.68 -4.96 117.00 117.09 2vlu n LEU 76 Ca -0.11 -5.42 -0.04 0.00 -0.03 0.00 0.00 56.01 50.41 2vlu n LEU 76 Cb 0.79 -0.54 0.06 0.00 -2.33 0.00 0.00 43.42 41.40 2vlu n LEU 76 CO 0.51 2.10 1.04 0.11 -1.33 0.00 0.00 177.39 179.82 2vlu h LYS 77 N 3.99 0.54 -0.76 3.23 1.57 -1.76 -2.54 116.57 120.84 2vlu h LYS 77 Ca 0.18 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.03 2vlu h LYS 77 Cb 0.66 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 2vlu h LYS 77 CO 0.80 0.36 0.50 -1.35 -0.57 0.00 0.00 179.45 179.19 2vlu h PRO 78 N 0.55 0.60 -0.14 3.15 0.11 -1.93 0.11 132.00 134.47 2vlu h PRO 78 Ca 0.24 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.22 2vlu h PRO 78 Cb 0.14 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2vlu h PRO 78 CO -0.16 0.40 -0.29 0.82 -0.21 0.00 0.00 178.00 178.56 2vlu h ILE 79 N 0.62 1.37 -0.60 4.15 1.08 -1.87 -1.49 117.51 120.78 2vlu h ILE 79 Ca 0.36 -1.56 -0.03 0.00 -0.39 0.00 0.00 64.86 63.23 2vlu h ILE 79 Cb 0.54 2.03 -0.03 0.00 -3.07 0.00 0.00 36.82 36.29 2vlu h ILE 79 CO -0.13 0.46 0.26 0.00 -0.69 0.00 0.00 178.15 178.05 2vlu h ALA 80 N 0.54 0.78 -0.44 1.87 0.00 -1.17 -3.03 119.26 117.82 2vlu h ALA 80 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 2vlu h ALA 80 Cb 0.89 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2vlu h ALA 80 CO 0.06 0.37 -0.12 0.93 0.00 0.00 0.00 179.25 180.49 2vlu h GLU 81 N 0.83 0.80 -0.97 0.00 5.08 -0.80 -1.22 114.58 118.29 2vlu h GLU 81 Ca 0.20 -0.27 0.16 0.00 -1.00 0.00 0.00 59.36 58.45 2vlu h GLU 81 Cb 0.17 -0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.26 2vlu h GLU 81 CO -0.02 0.88 0.59 0.37 -1.00 0.00 0.00 179.01 179.83 2vlu h GLN 82 N 0.72 0.80 -0.67 2.33 4.15 -1.14 -1.00 115.11 120.29 2vlu h GLN 82 Ca 0.12 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.49 2vlu h GLN 82 Cb 0.61 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.12 2vlu h GLN 82 CO 0.04 0.53 0.00 1.19 -1.93 0.00 0.00 178.83 178.66 2vlu n PHE 83 N -4.73 1.22 -3.76 3.99 3.01 -1.11 -4.96 117.46 111.11 2vlu n PHE 83 Ca 0.21 -0.56 -0.22 0.00 1.01 0.00 0.00 57.45 57.88 2vlu n PHE 83 Cb 0.47 -0.13 0.02 0.00 -0.01 0.00 0.00 39.48 39.83 2vlu n PHE 83 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2vlu n SER 84 N 1.32 -1.02 -4.53 4.37 7.64 -0.38 -4.92 113.62 116.08 2vlu n SER 84 Ca 0.25 -0.87 -0.43 0.00 1.01 0.00 0.00 58.87 58.83 2vlu n SER 84 Cb 0.75 -3.81 -0.05 0.00 -1.01 0.00 0.00 64.21 60.09 2vlu n SER 84 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2vlu s VAL 85 N -3.74 4.61 0.00 0.44 1.01 -0.49 -4.81 120.40 117.42 2vlu s VAL 85 Ca 0.01 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2vlu s VAL 85 Cb -0.00 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 32.01 2vlu s VAL 85 CO 0.83 -0.80 0.66 -0.62 0.00 0.00 0.00 175.10 175.17 2vlu n GLU 86 N 6.84 1.09 -4.53 2.72 -0.58 -1.26 -4.78 120.64 120.13 2vlu n GLU 86 Ca 0.02 -0.88 -0.21 0.00 -0.42 0.00 0.00 57.16 55.67 2vlu n GLU 86 Cb 0.48 -0.83 -0.15 0.00 -0.57 0.00 0.00 31.44 30.37 2vlu n GLU 86 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2vlu s ALA 87 N -0.44 1.03 0.02 0.62 0.00 -1.26 -5.16 121.76 116.58 2vlu s ALA 87 Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.52 2vlu s ALA 87 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 2vlu s ALA 87 CO 0.00 0.22 -0.13 -1.64 0.00 0.00 0.00 175.76 174.20 2vlu s MET 88 N -0.10 0.97 0.36 0.00 -1.94 -1.26 -3.54 119.30 113.79 2vlu s MET 88 Ca 0.01 -0.64 -0.25 0.00 -1.71 0.00 0.00 55.69 53.10 2vlu s MET 88 Cb -0.07 -0.96 -0.09 0.00 2.01 0.00 0.00 34.83 35.72 2vlu s MET 88 CO 0.00 0.25 1.01 -1.25 -0.01 0.00 0.00 175.02 175.02 2vlu s PRO 89 N -0.82 4.36 -0.14 2.03 0.04 -1.26 -4.72 135.00 134.49 2vlu s PRO 89 Ca 0.03 1.45 0.01 0.00 0.04 0.00 0.00 61.00 62.53 2vlu s PRO 89 Cb -0.07 -2.68 -0.00 0.00 0.04 0.00 0.00 34.50 31.79 2vlu s PRO 89 CO 0.01 0.05 -0.16 0.99 0.04 0.00 0.00 177.00 177.92 2vlu s THR 90 N -1.62 2.64 -0.23 1.26 2.01 -0.81 -0.79 115.64 118.09 2vlu s THR 90 Ca 0.54 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.67 2vlu s THR 90 Cb -0.21 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 2vlu s THR 90 CO 0.27 0.53 0.09 -0.36 -0.69 0.00 0.00 174.62 174.45 2vlu s PHE 91 N 0.62 3.15 -0.09 4.92 0.08 0.55 -0.25 117.98 126.95 2vlu s PHE 91 Ca -0.09 -0.20 0.02 0.00 0.12 0.00 0.00 56.93 56.78 2vlu s PHE 91 Cb -0.16 -2.21 -0.02 0.00 -0.57 0.00 0.00 43.02 40.06 2vlu s PHE 91 CO 0.03 -0.19 -0.13 -1.17 -0.10 0.00 0.00 175.22 173.66 2vlu s LEU 92 N 1.29 2.74 -0.21 -0.37 2.96 -0.10 -0.63 118.68 124.37 2vlu s LEU 92 Ca 0.05 -0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 53.66 2vlu s LEU 92 Cb -0.15 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 2vlu s LEU 92 CO 0.04 0.25 -0.01 -0.36 -1.32 0.00 0.00 176.35 174.96 2vlu s PHE 93 N -0.18 3.02 0.05 5.38 0.40 -0.35 -0.52 117.98 125.79 2vlu s PHE 93 Ca -0.00 -0.56 0.05 0.00 -0.60 0.00 0.00 56.93 55.82 2vlu s PHE 93 Cb -0.13 -2.09 -0.02 0.00 0.51 0.00 0.00 43.02 41.28 2vlu s PHE 93 CO 0.03 -0.31 -0.14 -1.64 0.70 0.00 0.00 175.22 173.86 2vlu s MET 94 N 1.12 0.88 -0.17 0.44 -1.94 0.54 -0.06 119.30 120.11 2vlu s MET 94 Ca 0.02 -0.81 -0.06 0.00 -1.71 0.00 0.00 55.69 53.13 2vlu s MET 94 Cb -0.14 -0.88 0.08 0.00 2.01 0.00 0.00 34.83 35.89 2vlu s MET 94 CO 0.01 0.21 0.36 0.21 -0.01 0.00 0.00 175.02 175.80 2vlu s LYS 95 N -1.33 0.27 -1.41 2.03 2.20 -0.31 -0.08 119.74 121.12 2vlu s LYS 95 Ca 0.00 0.88 -0.04 0.00 -0.36 0.00 0.00 55.97 56.45 2vlu s LYS 95 Cb -0.08 0.14 0.03 0.00 -1.51 0.00 0.00 37.83 36.41 2vlu s LYS 95 CO 0.02 -0.24 0.70 0.39 -0.36 0.00 0.00 175.35 175.86 2vlu n GLU 96 N 5.14 -4.57 -1.00 4.03 1.02 -1.26 -1.88 120.64 122.12 2vlu n GLU 96 Ca -0.11 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 2vlu n GLU 96 Cb 0.51 -5.09 0.00 0.00 -0.02 0.00 0.00 31.44 26.84 2vlu n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2vlu n GLY 97 N -1.69 0.83 3.30 0.62 0.00 -1.26 -5.01 105.19 101.97 2vlu n GLY 97 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2vlu n GLY 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2vlu s ASP 98 N -2.66 3.86 -0.14 1.61 2.15 -0.79 -5.08 116.67 115.61 2vlu s ASP 98 Ca 0.00 -0.42 -0.29 0.00 0.43 0.00 0.00 52.55 52.27 2vlu s ASP 98 Cb 0.00 -1.60 -0.02 0.00 -0.30 0.00 0.00 42.92 41.00 2vlu s ASP 98 CO 0.00 0.09 1.27 -0.69 -0.17 0.00 0.00 175.17 175.67 2vlu s VAL 99 N 0.78 4.24 -0.20 1.11 1.01 -1.26 -1.17 120.40 124.91 2vlu s VAL 99 Ca -0.05 1.51 0.16 0.00 0.00 0.00 0.00 61.98 63.60 2vlu s VAL 99 Cb -0.15 -3.98 -0.24 0.00 0.00 0.00 0.00 36.38 32.01 2vlu s VAL 99 CO 0.01 -0.10 0.06 0.29 0.00 0.00 0.00 175.10 175.35 2vlu n LYS 100 N 6.33 0.68 -3.68 2.72 4.76 0.91 -4.98 118.16 124.90 2vlu n LYS 100 Ca 0.13 0.03 -0.05 0.00 -2.87 0.00 0.00 58.31 55.55 2vlu n LYS 100 Cb 0.45 -1.53 -0.02 0.00 -1.84 0.00 0.00 35.03 32.09 2vlu n LYS 100 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2vlu s ASP 101 N -5.66 -0.23 -0.03 4.39 -1.08 -1.22 -5.01 116.67 107.84 2vlu s ASP 101 Ca -0.13 -0.28 -0.08 0.00 -0.52 0.00 0.00 52.55 51.54 2vlu s ASP 101 Cb 0.06 0.45 0.01 0.00 -1.46 0.00 0.00 42.92 41.98 2vlu s ASP 101 CO 0.80 -0.80 0.19 -0.13 0.52 0.00 0.00 175.17 175.75 2vlu s ARG 102 N -3.21 0.42 -0.12 4.34 0.52 -1.26 -1.21 118.95 118.43 2vlu s ARG 102 Ca 0.10 -0.11 0.02 0.00 -0.52 0.00 0.00 55.73 55.23 2vlu s ARG 102 Cb -0.01 0.18 0.01 0.00 0.52 0.00 0.00 34.95 35.65 2vlu s ARG 102 CO -0.01 -0.09 -0.18 0.08 0.02 0.00 0.00 175.30 175.11 2vlu s VAL 103 N -0.80 1.74 -0.22 3.52 1.01 0.20 -4.98 120.40 120.87 2vlu s VAL 103 Ca -0.09 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 2vlu s VAL 103 Cb -0.05 -1.56 -0.00 0.00 0.00 0.00 0.00 36.38 34.77 2vlu s VAL 103 CO 0.01 0.49 -0.05 -0.69 0.00 0.00 0.00 175.10 174.86 2vlu s VAL 104 N 0.86 3.22 0.00 2.92 1.01 -1.26 -0.33 120.40 126.82 2vlu s VAL 104 Ca -0.08 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.30 2vlu s VAL 104 Cb -0.15 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.74 2vlu s VAL 104 CO -0.01 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.10 2vlu n GLY 105 N 4.77 0.91 2.66 4.51 0.00 0.03 -4.73 105.19 113.34 2vlu n GLY 105 Ca -0.18 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.36 2vlu n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vlu n ALA 106 N 1.48 5.94 -3.55 4.61 0.00 -1.26 -4.72 120.51 123.01 2vlu n ALA 106 Ca 0.00 -3.88 -0.41 0.00 0.00 0.00 0.00 53.44 49.15 2vlu n ALA 106 Cb 0.00 -3.41 -0.07 0.00 0.00 0.00 0.00 19.45 15.97 2vlu n ALA 106 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2vlu s ILE 107 N 2.51 4.49 0.14 0.00 1.01 -1.26 -4.96 121.20 123.13 2vlu s ILE 107 Ca 0.50 -2.68 -0.17 0.00 0.00 0.00 0.00 60.65 58.30 2vlu s ILE 107 Cb 0.14 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.75 2vlu s ILE 107 CO -0.07 -0.93 1.77 0.11 0.00 0.00 0.00 174.94 175.82 2vlu h LYS 108 N 7.43 0.31 -0.73 2.79 1.57 -2.00 -1.94 116.57 124.00 2vlu h LYS 108 Ca 0.01 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2vlu h LYS 108 Cb 1.00 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.20 2vlu h LYS 108 CO 0.74 0.20 0.39 1.05 -0.57 0.00 0.00 179.45 181.27 2vlu h GLU 109 N 0.32 1.02 -0.26 3.15 -0.00 -1.99 -1.53 114.58 115.29 2vlu h GLU 109 Ca 0.13 -0.12 -0.11 0.00 -0.00 0.00 0.00 59.36 59.26 2vlu h GLU 109 Cb 0.06 -0.20 -0.00 0.00 -0.00 0.00 0.00 28.75 28.61 2vlu h GLU 109 CO -0.10 0.77 -0.26 1.49 -0.00 0.00 0.00 179.01 180.91 2vlu h GLU 110 N 1.01 0.63 -0.06 1.06 4.81 -1.96 -1.41 114.58 118.66 2vlu h GLU 110 Ca 0.26 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2vlu h GLU 110 Cb 0.05 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 2vlu h GLU 110 CO -0.04 0.93 0.04 1.25 -0.73 0.00 0.00 179.01 180.46 2vlu h LEU 111 N 0.35 0.07 -0.41 1.64 5.85 -1.23 -0.65 115.31 120.92 2vlu h LEU 111 Ca 0.04 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2vlu h LEU 111 Cb 0.82 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 2vlu h LEU 111 CO 0.06 0.06 0.26 0.74 -0.34 0.00 0.00 178.44 179.22 2vlu h THR 112 N 0.07 1.11 -0.62 1.05 2.02 -1.27 -0.68 112.91 114.61 2vlu h THR 112 Ca 0.02 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 2vlu h THR 112 Cb -0.00 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 2vlu h THR 112 CO -0.00 0.11 0.35 0.00 0.37 0.00 0.00 175.52 176.34 2vlu h ALA 113 N 1.14 0.79 -0.06 6.16 0.00 -1.13 -2.03 119.26 124.13 2vlu h ALA 113 Ca 0.15 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 2vlu h ALA 113 Cb -0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2vlu h ALA 113 CO -0.03 0.30 -0.75 0.87 0.00 0.00 0.00 179.25 179.64 2vlu h LYS 114 N 0.84 0.37 -0.04 0.00 1.57 -0.81 -1.19 116.57 117.30 2vlu h LYS 114 Ca 0.22 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2vlu h LYS 114 Cb 0.03 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 2vlu h LYS 114 CO -0.04 0.96 0.03 0.28 -0.57 0.00 0.00 179.45 180.11 2vlu h VAL 115 N 0.25 1.03 -0.97 0.50 2.07 -1.05 -1.15 116.25 116.92 2vlu h VAL 115 Ca -0.03 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.44 2vlu h VAL 115 Cb 1.33 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 32.04 2vlu h VAL 115 CO 0.13 0.03 0.64 1.23 0.02 0.00 0.00 177.57 179.61 2vlu h GLY 116 N 0.04 1.41 0.70 2.17 0.00 -1.21 -0.27 103.07 105.91 2vlu h GLY 116 Ca 0.02 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2vlu h GLY 116 CO -0.00 0.43 -0.11 -2.00 0.00 0.00 0.00 176.54 174.86 2vlu h LEU 117 N 1.24 -0.26 -0.11 3.11 5.85 -1.11 -3.21 115.31 120.82 2vlu h LEU 117 Ca 0.38 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 2vlu h LEU 117 Cb -0.03 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2vlu h LEU 117 CO -0.11 0.07 -0.32 0.45 -0.34 0.00 0.00 178.44 178.18 2vlu h HIS 118 N -0.61 0.00 0.00 1.25 3.86 -1.08 -3.19 115.15 115.37 2vlu h HIS 118 Ca -0.03 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.06 2vlu h HIS 118 Cb 0.44 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 2vlu h HIS 118 CO 0.02 0.32 -0.56 0.00 0.86 0.00 0.00 177.93 178.57 2vlu h ALA 119 N 1.68 0.79 0.00 2.45 0.00 -1.16 -3.24 119.26 119.78 2vlu h ALA 119 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2vlu h ALA 119 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2vlu h ALA 119 CO 0.04 0.70 -0.26 0.00 0.00 0.00 0.00 179.25 179.73 2vlu n ALA 120 N -2.30 2.55 -2.26 0.00 0.00 -1.21 -4.85 120.51 112.44 2vlu n ALA 120 Ca 0.00 -0.11 -0.43 0.00 0.00 0.00 0.00 53.44 52.90 2vlu n ALA 120 Cb 0.67 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 2vlu n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vlu s ALA 121 N -3.13 3.33 0.00 0.00 0.00 -1.22 -5.13 121.76 115.61 2vlu s ALA 121 Ca 0.09 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.36 2vlu s ALA 121 Cb 0.13 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2vlu s ALA 121 CO 0.65 -1.83 0.00 0.94 0.00 0.00 0.00 175.76 175.52