#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zal n LYS 3 N 0.00 2.34 -2.55 1.61 2.85 -1.26 -5.10 118.16 116.04 2zal n LYS 3 Ca 0.00 -3.87 -0.37 0.00 -1.05 0.00 0.00 58.31 53.02 2zal n LYS 3 Cb 0.00 -1.77 -0.04 0.00 -0.65 0.00 0.00 35.03 32.57 2zal n LYS 3 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2zal s ALA 4 N -3.39 3.15 0.01 0.58 0.00 -1.26 -5.03 121.76 115.82 2zal s ALA 4 Ca 0.38 0.72 -0.22 0.00 0.00 0.00 0.00 51.96 52.83 2zal s ALA 4 Cb 0.42 -3.27 0.05 0.00 0.00 0.00 0.00 23.12 20.31 2zal s ALA 4 CO -0.06 -0.17 0.50 0.54 0.00 0.00 0.00 175.76 176.57 2zal s VAL 5 N -1.56 0.03 0.01 0.00 0.11 -1.26 -5.05 120.40 112.67 2zal s VAL 5 Ca 0.55 -0.26 0.04 0.00 -2.93 0.00 0.00 61.98 59.38 2zal s VAL 5 Cb -0.23 -0.91 -0.01 0.00 -1.53 0.00 0.00 36.38 33.69 2zal s VAL 5 CO 0.30 -0.14 -0.12 -0.51 -3.33 0.00 0.00 175.10 171.29 2zal s ILE 6 N -1.92 0.97 0.06 7.04 2.07 -1.26 -5.09 121.20 123.06 2zal s ILE 6 Ca -0.08 -0.66 0.06 0.00 -1.41 0.00 0.00 60.65 58.56 2zal s ILE 6 Cb -0.01 -0.84 -0.03 0.00 0.13 0.00 0.00 42.46 41.71 2zal s ILE 6 CO 0.02 0.17 -0.18 0.00 -1.91 0.00 0.00 174.94 173.05 2zal s ALA 7 N -0.47 1.48 0.15 1.50 0.00 -1.26 -5.05 121.76 118.11 2zal s ALA 7 Ca 0.03 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.04 2zal s ALA 7 Cb -0.06 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 2zal s ALA 7 CO 0.00 0.30 -0.10 0.96 0.00 0.00 0.00 175.76 176.91 2zal s ILE 8 N -0.94 1.19 0.05 0.00 -4.36 -1.26 -5.11 121.20 110.77 2zal s ILE 8 Ca 0.04 -2.04 -0.00 0.00 -0.26 0.00 0.00 60.65 58.38 2zal s ILE 8 Cb -0.09 -1.83 -0.04 0.00 1.25 0.00 0.00 42.46 41.76 2zal s ILE 8 CO 0.02 -0.72 -0.04 -1.38 0.24 0.00 0.00 174.94 173.06 2zal s HIS 9 N -3.24 0.55 -0.11 1.37 -3.43 -1.26 -5.05 115.29 104.12 2zal s HIS 9 Ca 0.16 -0.98 0.16 0.00 -0.80 0.00 0.00 55.06 53.60 2zal s HIS 9 Cb 0.02 -0.39 0.36 0.00 -1.43 0.00 0.00 32.58 31.14 2zal s HIS 9 CO 0.01 -0.32 1.17 0.41 -2.00 0.00 0.00 174.74 174.01 2zal n GLY 10 N 0.26 3.36 0.00 -1.38 0.00 -1.26 -5.10 105.19 101.07 2zal n GLY 10 Ca -0.15 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.86 2zal n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zal n GLY 11 N -0.55 2.71 3.49 -0.02 0.00 -1.26 -4.75 105.19 104.81 2zal n GLY 11 Ca 0.13 -1.66 -0.27 0.00 0.00 0.00 0.00 46.02 44.21 2zal n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zal s ALA 12 N -1.56 2.72 0.00 4.61 0.00 -1.26 -4.76 121.76 121.52 2zal s ALA 12 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.45 2zal s ALA 12 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.56 2zal s ALA 12 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.65 2zal n GLY 13 N 0.32 2.44 0.36 0.00 0.00 -1.26 -4.83 105.19 102.22 2zal n GLY 13 Ca -0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.03 2zal n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zal n ALA 14 N -0.62 2.60 -2.61 4.61 0.00 -1.26 -4.94 120.51 118.29 2zal n ALA 14 Ca 0.00 -0.39 -0.34 0.00 0.00 0.00 0.00 53.44 52.72 2zal n ALA 14 Cb 0.00 -1.24 -0.11 0.00 0.00 0.00 0.00 19.45 18.10 2zal n ALA 14 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2zal s ILE 15 N -1.98 3.84 -0.26 0.00 1.01 -1.26 -5.10 121.20 117.45 2zal s ILE 15 Ca 0.39 -0.48 -0.13 0.00 0.00 0.00 0.00 60.65 60.43 2zal s ILE 15 Cb 0.21 -2.60 0.09 0.00 0.01 0.00 0.00 42.46 40.16 2zal s ILE 15 CO 0.33 0.56 0.62 -0.55 0.00 0.00 0.00 174.94 175.91 2zal s SER 16 N -0.95 -0.88 0.32 3.58 0.15 -1.26 -5.08 113.70 109.58 2zal s SER 16 Ca 0.14 1.40 0.04 0.00 0.70 0.00 0.00 55.95 58.23 2zal s SER 16 Cb -0.11 1.48 0.54 0.00 -1.71 0.00 0.00 66.02 66.21 2zal s SER 16 CO 0.03 -0.23 1.81 -0.09 1.20 0.00 0.00 173.24 175.96 2zal h ARG 17 N 7.29 0.47 0.00 5.44 9.65 -1.99 -2.46 114.38 132.77 2zal h ARG 17 Ca -0.28 -0.13 -0.02 0.00 -1.10 0.00 0.00 59.98 58.45 2zal h ARG 17 Cb 1.19 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.72 2zal h ARG 17 CO 0.17 0.60 -0.09 0.00 2.80 0.00 0.00 179.97 183.45 2zal h ALA 18 N 1.43 0.96 -0.03 2.80 0.00 -2.03 -3.19 119.26 119.21 2zal h ALA 18 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2zal h ALA 18 Cb 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2zal h ALA 18 CO 0.03 0.11 -0.14 1.04 0.00 0.00 0.00 179.25 180.29 2zal n GLN 19 N -3.14 1.96 -4.20 0.00 3.00 -0.96 -4.98 117.38 109.06 2zal n GLN 19 Ca 0.03 -1.63 -0.23 0.00 -0.01 0.00 0.00 57.00 55.15 2zal n GLN 19 Cb 0.49 -1.46 -0.07 0.00 0.00 0.00 0.00 30.24 29.21 2zal n GLN 19 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 2zal s MET 20 N -2.11 2.31 0.29 -1.09 -1.94 -1.03 -5.02 119.30 110.72 2zal s MET 20 Ca 0.25 -1.53 0.09 0.00 -1.71 0.00 0.00 55.69 52.78 2zal s MET 20 Cb 0.19 -2.14 -0.04 0.00 2.01 0.00 0.00 34.83 34.85 2zal s MET 20 CO 0.37 0.20 0.06 -1.54 -0.01 0.00 0.00 175.02 174.11 2zal s SER 21 N -3.77 4.69 0.23 3.03 1.04 -1.26 -4.96 113.70 112.70 2zal s SER 21 Ca 0.35 -0.64 -0.08 0.00 0.48 0.00 0.00 55.95 56.06 2zal s SER 21 Cb -0.03 -0.87 0.21 0.00 0.10 0.00 0.00 66.02 65.43 2zal s SER 21 CO 0.21 -0.10 1.89 0.25 0.98 0.00 0.00 173.24 176.48 2zal h LEU 22 N 1.74 1.06 -0.81 2.42 5.85 -1.99 -1.83 115.31 121.75 2zal h LEU 22 Ca -0.44 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 2zal h LEU 22 Cb 1.25 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.97 2zal h LEU 22 CO 0.61 0.80 0.40 1.56 -0.34 0.00 0.00 178.44 181.47 2zal h GLN 23 N 1.23 1.16 -0.48 1.25 1.08 -1.99 0.26 115.11 117.62 2zal h GLN 23 Ca 0.33 -0.17 -0.02 0.00 -1.45 0.00 0.00 58.65 57.34 2zal h GLN 23 Cb -0.09 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.11 2zal h GLN 23 CO -0.06 0.89 0.22 1.96 -0.95 0.00 0.00 178.83 180.89 2zal h GLN 24 N 1.14 0.69 -0.72 1.46 4.20 -1.91 -2.06 115.11 117.91 2zal h GLN 24 Ca 0.28 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.89 2zal h GLN 24 Cb 0.10 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 2zal h GLN 24 CO -0.04 0.58 0.47 0.93 -0.67 0.00 0.00 178.83 180.11 2zal h GLU 25 N 0.63 0.94 -0.62 1.46 5.08 -0.61 -2.29 114.58 119.17 2zal h GLU 25 Ca 0.16 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2zal h GLU 25 Cb 0.13 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2zal h GLU 25 CO -0.02 0.62 0.27 -0.07 -1.00 0.00 0.00 179.01 178.81 2zal h LEU 26 N 0.97 0.83 -0.85 1.33 3.38 -0.78 -1.26 115.31 118.93 2zal h LEU 26 Ca 0.26 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.09 2zal h LEU 26 Cb -0.11 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.38 2zal h LEU 26 CO -0.06 0.76 0.56 0.03 0.09 0.00 0.00 178.44 179.82 2zal h ARG 27 N 0.85 1.11 -0.58 1.13 3.08 -1.08 0.12 114.38 119.02 2zal h ARG 27 Ca 0.21 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 2zal h ARG 27 Cb 0.17 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 2zal h ARG 27 CO -0.02 0.74 0.08 1.88 -1.07 0.00 0.00 179.97 181.57 2zal h TYR 28 N 1.15 1.04 -0.38 3.04 0.05 -1.10 -1.42 116.97 119.35 2zal h TYR 28 Ca 0.32 -0.15 -0.04 0.00 0.05 0.00 0.00 58.73 58.90 2zal h TYR 28 Cb -0.12 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.33 2zal h TYR 28 CO -0.01 0.91 0.07 0.82 -1.05 0.00 0.00 178.16 178.90 2zal h ILE 29 N 0.87 1.24 -0.57 -2.88 2.04 -0.80 -1.18 117.51 116.23 2zal h ILE 29 Ca 0.17 -0.84 0.04 0.00 1.00 0.00 0.00 64.86 65.23 2zal h ILE 29 Cb 0.44 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 2zal h ILE 29 CO 0.01 0.29 0.32 -0.33 0.00 0.00 0.00 178.15 178.44 2zal h GLU 30 N 0.48 0.61 -0.01 2.37 5.08 -0.68 -0.72 114.58 121.70 2zal h GLU 30 Ca 0.12 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2zal h GLU 30 Cb 0.35 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2zal h GLU 30 CO 0.01 0.40 0.00 0.00 -1.00 0.00 0.00 179.01 178.42 2zal h ALA 31 N 1.28 0.01 -0.73 3.43 0.00 -1.01 -1.64 119.26 120.60 2zal h ALA 31 Ca 0.24 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.04 2zal h ALA 31 Cb 0.09 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2zal h ALA 31 CO -0.13 -0.34 0.46 -0.07 0.00 0.00 0.00 179.25 179.16 2zal h LEU 32 N -0.26 0.75 -0.49 0.00 3.38 -1.17 -1.31 115.31 116.21 2zal h LEU 32 Ca 0.00 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2zal h LEU 32 Cb 0.29 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2zal h LEU 32 CO 0.00 0.52 0.00 -1.28 0.09 0.00 0.00 178.44 177.77 2zal h SER 33 N 0.89 0.84 -0.58 -0.43 0.87 -1.08 -1.00 113.55 113.07 2zal h SER 33 Ca 0.29 -0.31 -0.11 0.00 -1.23 0.00 0.00 61.79 60.44 2zal h SER 33 Cb 0.02 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 2zal h SER 33 CO -0.11 0.94 -0.07 0.00 -0.53 0.00 0.00 176.83 177.06 2zal h ALA 34 N 0.93 0.78 -0.05 6.23 0.00 -1.07 -1.74 119.26 124.34 2zal h ALA 34 Ca 0.14 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 2zal h ALA 34 Cb 0.51 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.10 2zal h ALA 34 CO 0.02 0.68 -0.49 0.82 0.00 0.00 0.00 179.25 180.28 2zal h ILE 35 N 0.95 1.41 -0.57 0.00 2.04 -1.15 -2.32 117.51 117.88 2zal h ILE 35 Ca 0.15 -1.91 -0.03 0.00 1.00 0.00 0.00 64.86 64.07 2zal h ILE 35 Cb 0.64 2.40 -0.03 0.00 -0.74 0.00 0.00 36.82 39.09 2zal h ILE 35 CO 0.04 0.56 0.21 1.62 0.00 0.00 0.00 178.15 180.59 2zal h VAL 36 N -0.05 1.21 -0.46 1.67 3.04 -1.20 -1.91 116.25 118.55 2zal h VAL 36 Ca -0.05 -0.66 0.02 0.00 -1.01 0.00 0.00 66.70 65.00 2zal h VAL 36 Cb 1.17 0.55 -0.03 0.00 -2.01 0.00 0.00 31.29 30.96 2zal h VAL 36 CO 0.10 0.26 0.27 -0.08 -1.01 0.00 0.00 177.57 177.11 2zal h GLU 37 N 0.81 0.52 -0.77 4.17 4.81 -1.29 0.11 114.58 122.95 2zal h GLU 37 Ca 0.19 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 2zal h GLU 37 Cb 0.18 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 2zal h GLU 37 CO -0.02 0.35 0.49 1.15 -0.73 0.00 0.00 179.01 180.25 2zal h THR 38 N 0.54 1.11 -0.50 0.32 2.02 -0.89 -1.07 112.91 114.44 2zal h THR 38 Ca 0.18 -0.33 -0.07 0.00 0.77 0.00 0.00 66.41 66.97 2zal h THR 38 Cb 0.02 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 2zal h THR 38 CO -0.09 0.17 0.06 1.23 0.37 0.00 0.00 175.52 177.26 2zal h GLY 39 N 0.95 0.90 0.95 2.16 0.00 -0.76 -1.81 103.07 105.46 2zal h GLY 39 Ca 0.31 -0.62 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 2zal h GLY 39 CO -0.11 0.58 0.08 1.46 0.00 0.00 0.00 176.54 178.54 2zal h GLN 40 N 0.71 0.18 -0.88 4.80 4.20 -0.66 -0.95 115.11 122.51 2zal h GLN 40 Ca 0.15 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 2zal h GLN 40 Cb 0.43 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 2zal h GLN 40 CO 0.01 0.18 0.49 0.87 -0.67 0.00 0.00 178.83 179.71 2zal h LYS 41 N 0.13 1.23 -0.29 1.46 1.57 -1.11 0.21 116.57 119.77 2zal h LYS 41 Ca 0.05 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2zal h LYS 41 Cb 0.05 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 2zal h LYS 41 CO -0.01 0.89 0.14 0.52 -0.57 0.00 0.00 179.45 180.42 2zal h MET 42 N 1.24 0.42 -0.74 3.15 2.86 -1.12 -1.92 114.93 118.82 2zal h MET 42 Ca 0.31 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.90 2zal h MET 42 Cb 0.02 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 2zal h MET 42 CO -0.05 0.40 0.49 -0.07 1.06 0.00 0.00 176.91 178.73 2zal h LEU 43 N 0.34 0.85 -1.26 1.22 3.38 -0.62 -1.92 115.31 117.29 2zal h LEU 43 Ca 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2zal h LEU 43 Cb 0.12 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2zal h LEU 43 CO -0.01 0.62 0.45 -0.33 0.09 0.00 0.00 178.44 179.25 2zal h GLU 44 N 1.00 0.95 0.00 1.13 5.08 -0.82 -2.19 114.58 119.73 2zal h GLU 44 Ca 0.27 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2zal h GLU 44 Cb -0.11 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 28.93 2zal h GLU 44 CO -0.06 0.65 0.00 0.00 -1.00 0.00 0.00 179.01 178.60 2zal n ALA 45 N -2.43 2.66 -0.63 3.43 0.00 -0.74 -4.90 120.51 117.91 2zal n ALA 45 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2zal n ALA 45 Cb 0.05 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.01 2zal n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2zal n GLY 46 N 0.95 0.62 3.79 0.00 0.00 -0.82 -5.06 105.19 104.66 2zal n GLY 46 Ca 0.23 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 2zal n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2zal s GLU 47 N -1.12 3.59 0.56 1.61 0.41 -0.77 -5.01 118.70 117.97 2zal s GLU 47 Ca 0.00 1.42 -0.19 0.00 -0.41 0.00 0.00 54.97 55.78 2zal s GLU 47 Cb 0.00 -2.06 -0.05 0.00 -1.78 0.00 0.00 34.13 30.24 2zal s GLU 47 CO 0.00 -0.61 1.15 -1.54 -0.49 0.00 0.00 175.26 173.76 2zal s SER 48 N -2.03 5.57 0.30 -0.19 1.04 -1.26 -4.61 113.70 112.51 2zal s SER 48 Ca 0.68 2.22 0.04 0.00 0.48 0.00 0.00 55.95 59.37 2zal s SER 48 Cb -0.19 -2.58 0.68 0.00 0.10 0.00 0.00 66.02 64.03 2zal s SER 48 CO 0.24 -1.33 1.80 0.00 0.98 0.00 0.00 173.24 174.93 2zal h ALA 49 N 1.07 1.62 -0.41 5.32 0.00 -1.99 -0.80 119.26 124.07 2zal h ALA 49 Ca -0.50 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2zal h ALA 49 Cb 1.27 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2zal h ALA 49 CO 0.56 0.05 0.19 1.25 0.00 0.00 0.00 179.25 181.30 2zal h LEU 50 N 0.85 0.54 -0.90 0.00 5.85 -1.92 -0.67 115.31 119.05 2zal h LEU 50 Ca 0.55 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 59.04 2zal h LEU 50 Cb 0.76 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 2zal h LEU 50 CO -0.34 0.52 -0.18 0.44 -0.34 0.00 0.00 178.44 178.54 2zal h ASP 51 N 0.51 0.60 -0.17 1.25 3.32 -1.83 -2.42 116.42 117.69 2zal h ASP 51 Ca 0.14 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 2zal h ASP 51 Cb 0.13 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 2zal h ASP 51 CO -0.02 0.79 -0.06 0.58 -1.72 0.00 0.00 179.24 178.81 2zal h VAL 52 N 0.54 1.30 0.00 -1.35 2.07 -0.73 -1.77 116.25 116.31 2zal h VAL 52 Ca 0.09 -1.07 -0.11 0.00 0.82 0.00 0.00 66.70 66.43 2zal h VAL 52 Cb 0.62 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 2zal h VAL 52 CO 0.04 0.32 -0.52 -0.37 0.02 0.00 0.00 177.57 177.06 2zal h VAL 53 N 0.03 1.31 -0.17 2.57 -1.51 -1.13 -0.87 116.25 116.48 2zal h VAL 53 Ca 0.04 -1.84 -0.03 0.00 -1.23 0.00 0.00 66.70 63.64 2zal h VAL 53 Cb 0.52 2.01 -0.01 0.00 -2.13 0.00 0.00 31.29 31.68 2zal h VAL 53 CO 0.02 0.51 0.00 0.74 -1.23 0.00 0.00 177.57 177.62 2zal h THR 54 N 0.00 1.25 -0.36 7.19 2.02 -1.38 -1.87 112.91 119.76 2zal h THR 54 Ca -0.01 -0.85 -0.13 0.00 0.77 0.00 0.00 66.41 66.20 2zal h THR 54 Cb 0.97 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 2zal h THR 54 CO 0.07 0.25 -0.29 -0.08 0.37 0.00 0.00 175.52 175.85 2zal h GLU 55 N 0.05 0.84 -0.39 6.66 4.57 -1.17 -0.03 114.58 125.10 2zal h GLU 55 Ca 0.05 -0.41 -0.01 0.00 -1.18 0.00 0.00 59.36 57.81 2zal h GLU 55 Cb 0.38 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 2zal h GLU 55 CO 0.01 1.05 0.21 0.00 -1.18 0.00 0.00 179.01 179.10 2zal h ALA 56 N 0.77 0.50 -0.32 2.92 0.00 -1.16 -1.44 119.26 120.53 2zal h ALA 56 Ca 0.07 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 2zal h ALA 56 Cb 0.86 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2zal h ALA 56 CO 0.07 0.03 -0.32 0.28 0.00 0.00 0.00 179.25 179.32 2zal h VAL 57 N 0.50 1.28 -0.93 0.00 2.07 -1.25 -1.97 116.25 115.95 2zal h VAL 57 Ca 0.14 -1.46 0.04 0.00 0.82 0.00 0.00 66.70 66.25 2zal h VAL 57 Cb 0.06 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 2zal h VAL 57 CO -0.02 0.47 0.61 -0.09 0.02 0.00 0.00 177.57 178.56 2zal h ARG 58 N 0.59 1.11 -0.22 1.57 2.43 -0.78 0.11 114.38 119.20 2zal h ARG 58 Ca 0.07 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 2zal h ARG 58 Cb 0.83 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2zal h ARG 58 CO 0.07 0.74 -0.47 -0.07 -1.51 0.00 0.00 179.97 178.73 2zal h LEU 59 N 1.15 0.63 -0.66 3.80 3.38 -0.86 -1.29 115.31 121.46 2zal h LEU 59 Ca 0.38 -0.30 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 2zal h LEU 59 Cb 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2zal h LEU 59 CO -0.12 1.00 -0.42 -0.07 0.09 0.00 0.00 178.44 178.92 2zal h LEU 60 N 0.46 0.60 0.22 1.67 3.38 -0.93 -2.10 115.31 118.61 2zal h LEU 60 Ca 0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2zal h LEU 60 Cb 0.99 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2zal h LEU 60 CO 0.09 0.95 -0.12 -0.33 0.09 0.00 0.00 178.44 179.12 2zal h GLU 61 N 0.46 -0.30 -0.01 1.13 5.08 -0.62 -3.04 114.58 117.28 2zal h GLU 61 Ca 0.04 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2zal h GLU 61 Cb 0.92 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2zal h GLU 61 CO 0.08 -0.20 -0.02 0.93 -1.00 0.00 0.00 179.01 178.81 2zal h GLU 62 N -0.31 0.01 -6.05 2.33 4.39 -1.10 -1.72 114.58 112.14 2zal h GLU 62 Ca -0.03 -0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.09 2zal h GLU 62 Cb 0.25 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.83 2zal h GLU 62 CO 0.04 0.03 0.74 0.00 -1.16 0.00 0.00 179.01 178.66 2zal n PRO 64 N 6.32 0.10 0.24 0.00 -0.04 -1.25 -2.82 135.00 137.56 2zal n PRO 64 Ca 0.11 0.23 0.13 0.00 -0.04 0.00 0.00 63.50 63.93 2zal n PRO 64 Cb 0.46 -1.50 0.48 0.00 -0.04 0.00 0.00 33.50 32.90 2zal n PRO 64 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2zal h LEU 65 N 0.00 0.00 -9.08 1.53 3.38 -1.90 -3.40 115.31 105.84 2zal h LEU 65 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 2zal h LEU 65 Cb 0.09 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.65 2zal h LEU 65 CO 0.00 0.10 -0.75 -0.36 0.09 0.00 0.00 178.44 177.52 2zal s PHE 66 N -3.54 2.75 -1.32 1.13 0.08 -1.13 -5.04 117.98 110.92 2zal s PHE 66 Ca 0.02 -0.13 -0.17 0.00 0.12 0.00 0.00 56.93 56.77 2zal s PHE 66 Cb 0.09 -1.56 0.05 0.00 -0.57 0.00 0.00 43.02 41.03 2zal s PHE 66 CO 0.61 0.31 1.87 -1.71 -0.10 0.00 0.00 175.22 176.20 2zal n ASN 67 N 1.63 4.52 -3.64 1.36 5.15 -1.25 -4.27 115.26 118.75 2zal n ASN 67 Ca -0.16 -2.88 -0.06 0.00 -0.60 0.00 0.00 54.58 50.88 2zal n ASN 67 Cb 0.52 -1.71 -0.07 0.00 -0.53 0.00 0.00 39.78 37.99 2zal n ASN 67 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2zal s ALA 68 N 4.45 -2.13 0.00 5.20 0.00 -1.26 -4.86 121.76 123.16 2zal s ALA 68 Ca 0.53 1.85 0.00 0.00 0.00 0.00 0.00 51.96 54.34 2zal s ALA 68 Cb 0.06 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.57 2zal s ALA 68 CO 0.05 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.01 2zal n GLY 69 N 2.20 2.92 3.68 0.00 0.00 -1.26 -4.35 105.19 108.38 2zal n GLY 69 Ca -0.13 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 2zal n GLY 69 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2zal n ILE 70 N 0.00 0.48 -0.14 -0.61 2.08 -0.65 -1.34 119.36 119.18 2zal n ILE 70 Ca 0.00 -0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.22 2zal n ILE 70 Cb 0.00 -2.14 0.00 0.00 -0.75 0.00 0.00 39.64 36.75 2zal n ILE 70 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2zal n GLY 71 N 4.31 0.93 3.74 7.39 0.00 -0.32 -3.92 105.19 117.31 2zal n GLY 71 Ca 0.19 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2zal n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zal s ALA 72 N -2.00 2.54 0.89 4.61 0.00 -0.45 -3.89 121.76 123.46 2zal s ALA 72 Ca 0.00 1.24 -0.11 0.00 0.00 0.00 0.00 51.96 53.09 2zal s ALA 72 Cb 0.00 -3.55 0.13 0.00 0.00 0.00 0.00 23.12 19.70 2zal s ALA 72 CO 0.00 -1.49 1.09 0.14 0.00 0.00 0.00 175.76 175.51 2zal s VAL 73 N -1.37 2.68 -0.08 0.00 -7.23 -1.26 -4.75 120.40 108.39 2zal s VAL 73 Ca 0.78 0.22 -0.08 0.00 -1.81 0.00 0.00 61.98 61.10 2zal s VAL 73 Cb -0.38 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.89 2zal s VAL 73 CO 0.42 -0.29 0.20 -0.36 -0.31 0.00 0.00 175.10 174.76 2zal s PHE 74 N -2.86 3.61 1.16 2.82 0.40 -1.26 -4.65 117.98 117.19 2zal s PHE 74 Ca 0.64 0.58 -0.19 0.00 -0.60 0.00 0.00 56.93 57.36 2zal s PHE 74 Cb -0.19 -1.98 0.27 0.00 0.51 0.00 0.00 43.02 41.63 2zal s PHE 74 CO 0.57 0.70 1.16 0.95 0.70 0.00 0.00 175.22 179.30 2zal s THR 75 N -1.10 1.67 0.50 0.64 -4.23 -0.09 -4.89 115.64 108.15 2zal s THR 75 Ca 0.19 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.89 2zal s THR 75 Cb -0.13 -2.60 0.34 0.00 1.34 0.00 0.00 72.50 71.45 2zal s THR 75 CO 0.08 0.00 2.04 -0.09 -0.54 0.00 0.00 174.62 176.11 2zal h ARG 76 N -2.41 0.10 -0.61 3.99 2.43 -1.99 -2.06 114.38 113.83 2zal h ARG 76 Ca -0.44 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2zal h ARG 76 Cb 1.28 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2zal h ARG 76 CO 0.34 0.07 0.00 -0.25 -1.51 0.00 0.00 179.97 178.62 2zal n ASP 77 N -4.45 3.55 -1.97 -3.80 8.00 -1.26 -4.94 116.55 111.69 2zal n ASP 77 Ca 0.06 -2.16 -0.14 0.00 0.71 0.00 0.00 54.79 53.25 2zal n ASP 77 Cb 0.39 -0.45 0.02 0.00 -0.02 0.00 0.00 41.12 41.06 2zal n ASP 77 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2zal n GLU 78 N 1.09 -2.87 -4.50 -1.24 1.02 -0.77 -5.03 120.64 108.33 2zal n GLU 78 Ca 0.21 0.61 -0.29 0.00 -0.02 0.00 0.00 57.16 57.67 2zal n GLU 78 Cb 0.62 -4.82 -0.09 0.00 -0.02 0.00 0.00 31.44 27.13 2zal n GLU 78 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2zal s THR 79 N -2.91 1.81 -0.05 2.62 -4.23 -1.26 -4.87 115.64 106.75 2zal s THR 79 Ca 0.17 -1.90 0.06 0.00 -1.18 0.00 0.00 61.69 58.84 2zal s THR 79 Cb -0.07 -2.71 -0.01 0.00 1.34 0.00 0.00 72.50 71.04 2zal s THR 79 CO 0.21 0.00 -0.25 -1.00 -0.54 0.00 0.00 174.62 173.04 2zal s HIS 80 N -2.74 2.43 -0.12 3.99 3.76 -1.26 -0.91 115.29 120.44 2zal s HIS 80 Ca 0.28 -0.64 -0.03 0.00 -0.15 0.00 0.00 55.06 54.53 2zal s HIS 80 Cb 0.06 -1.58 0.04 0.00 1.11 0.00 0.00 32.58 32.21 2zal s HIS 80 CO 0.15 -0.16 0.03 -1.21 -0.85 0.00 0.00 174.74 172.70 2zal s GLU 81 N -0.28 0.45 0.08 1.40 2.02 -1.26 -4.46 118.70 116.64 2zal s GLU 81 Ca 0.00 -0.06 0.05 0.00 0.02 0.00 0.00 54.97 54.98 2zal s GLU 81 Cb -0.13 -1.43 -0.04 0.00 0.10 0.00 0.00 34.13 32.64 2zal s GLU 81 CO 0.02 -0.48 -0.05 -0.51 0.02 0.00 0.00 175.26 174.27 2zal s LEU 82 N 1.99 3.26 0.06 1.80 1.43 -0.00 -4.78 118.68 122.43 2zal s LEU 82 Ca 0.03 -0.24 0.05 0.00 -1.03 0.00 0.00 54.13 52.93 2zal s LEU 82 Cb -0.14 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 2zal s LEU 82 CO -0.06 0.20 -0.14 -1.81 0.23 0.00 0.00 176.35 174.77 2zal s ASP 83 N -2.08 1.65 0.14 2.29 1.01 -1.26 -1.47 116.67 116.95 2zal s ASP 83 Ca 0.22 -0.54 -0.20 0.00 0.71 0.00 0.00 52.55 52.74 2zal s ASP 83 Cb -0.11 -0.07 0.05 0.00 1.01 0.00 0.00 42.92 43.80 2zal s ASP 83 CO 0.14 -0.03 0.51 0.00 0.21 0.00 0.00 175.17 176.00 2zal s ALA 84 N -1.09 -1.29 -0.01 5.23 0.00 -0.15 -4.90 121.76 119.56 2zal s ALA 84 Ca -0.01 0.27 -0.08 0.00 0.00 0.00 0.00 51.96 52.15 2zal s ALA 84 Cb -0.09 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.80 2zal s ALA 84 CO 0.02 -0.70 0.15 0.00 0.00 0.00 0.00 175.76 175.23 2zal s VAL 86 N -1.22 0.01 -0.00 0.00 0.11 -0.33 -5.00 120.40 113.96 2zal s VAL 86 Ca -0.13 -0.11 -0.00 0.00 -2.93 0.00 0.00 61.98 58.81 2zal s VAL 86 Cb -0.07 -0.05 0.00 0.00 -1.53 0.00 0.00 36.38 34.73 2zal s VAL 86 CO 0.02 -0.06 0.01 -0.32 -3.33 0.00 0.00 175.10 171.41 2zal s MET 87 N -0.17 0.00 -0.39 1.54 1.75 -1.26 -1.49 119.30 119.28 2zal s MET 87 Ca -0.02 0.02 -0.12 0.00 -1.25 0.00 0.00 55.69 54.33 2zal s MET 87 Cb -0.01 -0.02 0.04 0.00 2.84 0.00 0.00 34.83 37.67 2zal s MET 87 CO -0.00 -0.01 0.24 0.34 -0.65 0.00 0.00 175.02 174.93 2zal s ASP 88 N 0.09 5.79 0.64 1.11 3.68 -0.33 -4.95 116.67 122.70 2zal s ASP 88 Ca -0.01 -1.07 0.39 0.00 2.13 0.00 0.00 52.55 53.99 2zal s ASP 88 Cb -0.01 -2.04 2.19 0.00 -1.45 0.00 0.00 42.92 41.61 2zal s ASP 88 CO -0.00 -0.43 2.33 1.23 0.13 0.00 0.00 175.17 178.43 2zal h GLY 89 N 8.48 0.00 1.75 2.66 0.00 -1.95 0.14 103.07 114.15 2zal h GLY 89 Ca -0.25 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.87 2zal h GLY 89 CO 0.70 0.00 -0.89 -0.57 0.00 0.00 0.00 176.54 175.78 2zal h ASN 90 N 0.00 0.29 0.00 0.19 -1.24 -1.96 -3.36 115.58 109.50 2zal h ASN 90 Ca -0.00 -0.23 0.00 0.00 0.71 0.00 0.00 56.30 56.78 2zal h ASN 90 Cb 0.00 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 38.96 2zal h ASN 90 CO 0.00 1.04 0.00 0.35 -1.29 0.00 0.00 177.43 177.53 2zal n THR 91 N -3.66 0.00 -1.26 -3.57 -2.24 -1.14 -5.00 114.28 97.41 2zal n THR 91 Ca -0.04 -0.48 -0.11 0.00 -2.27 0.00 0.00 64.05 61.15 2zal n THR 91 Cb 0.82 1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 70.01 2zal n THR 91 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2zal n LEU 92 N -0.72 -0.56 -4.76 3.22 4.77 0.48 -4.98 117.00 114.45 2zal n LEU 92 Ca 0.00 0.28 -0.39 0.00 -0.03 0.00 0.00 56.01 55.87 2zal n LEU 92 Cb 0.00 -2.28 0.01 0.00 -2.33 0.00 0.00 43.42 38.83 2zal n LEU 92 CO 0.00 -0.84 1.00 -0.54 -1.33 0.00 0.00 177.39 175.68 2zal s LYS 93 N -2.81 3.67 0.04 3.23 1.02 -1.22 -4.81 119.74 118.85 2zal s LYS 93 Ca 0.00 2.25 -0.08 0.00 0.02 0.00 0.00 55.97 58.16 2zal s LYS 93 Cb 0.00 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.72 2zal s LYS 93 CO 0.00 -0.77 0.17 0.00 -0.92 0.00 0.00 175.35 173.83 2zal s ALA 94 N -1.27 -0.30 -0.02 5.17 0.00 -1.26 -1.19 121.76 122.90 2zal s ALA 94 Ca 0.62 -0.33 -0.05 0.00 0.00 0.00 0.00 51.96 52.20 2zal s ALA 94 Cb -0.40 0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.98 2zal s ALA 94 CO 0.51 -0.34 0.10 0.20 0.00 0.00 0.00 175.76 176.23 2zal s GLY 95 N -2.05 0.02 -0.06 0.00 0.00 -0.56 -4.30 107.32 100.37 2zal s GLY 95 Ca -0.06 -0.00 -0.18 0.00 0.00 0.00 0.00 44.72 44.48 2zal s GLY 95 CO -0.04 -0.09 0.41 0.00 0.00 0.00 0.00 173.10 173.38 2zal s ALA 96 N -0.78 -1.04 0.11 3.20 0.00 0.98 -1.19 121.76 123.05 2zal s ALA 96 Ca -0.09 0.75 0.07 0.00 0.00 0.00 0.00 51.96 52.70 2zal s ALA 96 Cb -0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 2zal s ALA 96 CO 0.01 -0.27 -0.18 0.14 0.00 0.00 0.00 175.76 175.46 2zal s VAL 97 N -0.88 1.55 0.01 0.00 -7.23 -0.52 -1.22 120.40 112.11 2zal s VAL 97 Ca -0.09 -1.62 -0.07 0.00 -1.81 0.00 0.00 61.98 58.39 2zal s VAL 97 Cb -0.04 -1.52 -0.00 0.00 0.56 0.00 0.00 36.38 35.38 2zal s VAL 97 CO 0.04 -0.22 0.13 0.00 -0.31 0.00 0.00 175.10 174.74 2zal s ALA 98 N -1.57 -0.27 -0.99 1.32 0.00 -0.95 -0.98 121.76 118.31 2zal s ALA 98 Ca 0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 51.96 51.81 2zal s ALA 98 Cb -0.08 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.18 2zal s ALA 98 CO 0.04 -0.23 0.05 0.41 0.00 0.00 0.00 175.76 176.04 2zal n GLY 99 N 1.34 -0.10 3.80 0.00 0.00 -0.54 -1.33 105.19 108.35 2zal n GLY 99 Ca -0.22 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 2zal n GLY 99 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2zal s VAL 100 N -2.64 5.34 0.00 1.61 -7.23 -0.77 -3.73 120.40 112.99 2zal s VAL 100 Ca 0.03 0.42 0.00 0.00 -1.81 0.00 0.00 61.98 60.62 2zal s VAL 100 Cb -0.01 -3.54 0.00 0.00 0.56 0.00 0.00 36.38 33.39 2zal s VAL 100 CO 0.03 0.51 0.02 -1.20 -0.31 0.00 0.00 175.10 174.16 2zal n SER 101 N 2.69 0.04 -0.10 4.85 7.64 -1.26 -0.82 113.62 126.65 2zal n SER 101 Ca -0.16 -0.47 0.08 0.00 1.01 0.00 0.00 58.87 59.33 2zal n SER 101 Cb 0.53 0.85 0.11 0.00 -1.01 0.00 0.00 64.21 64.70 2zal n SER 101 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2zal n HIS 102 N -0.85 0.05 -4.25 1.43 8.25 -1.26 -3.58 115.22 115.01 2zal n HIS 102 Ca 0.00 -0.88 -0.33 0.00 -0.26 0.00 0.00 57.72 56.26 2zal n HIS 102 Cb 0.00 -0.13 -0.16 0.00 1.12 0.00 0.00 29.99 30.82 2zal n HIS 102 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2zal s LEU 103 N -2.43 2.15 0.21 2.41 1.43 -1.26 -1.69 118.68 119.51 2zal s LEU 103 Ca 0.25 -0.63 -0.10 0.00 -1.03 0.00 0.00 54.13 52.63 2zal s LEU 103 Cb 0.22 -1.48 0.19 0.00 0.03 0.00 0.00 46.19 45.14 2zal s LEU 103 CO 0.03 0.02 1.88 -0.09 0.23 0.00 0.00 176.35 178.41 2zal h ARG 104 N 7.79 0.98 -3.15 1.70 2.43 -1.93 -3.36 114.38 118.84 2zal h ARG 104 Ca -0.43 -0.06 -0.62 0.00 -0.81 0.00 0.00 59.98 58.06 2zal h ARG 104 Cb 1.15 -0.22 -0.41 0.00 -0.42 0.00 0.00 29.97 30.08 2zal h ARG 104 CO 0.62 0.65 -0.68 -0.80 -1.51 0.00 0.00 179.97 178.24 2zal s ASN 105 N -5.86 3.98 0.32 -3.80 -0.87 -1.26 -4.61 114.94 102.84 2zal s ASN 105 Ca -0.13 -2.89 0.10 0.00 -1.57 0.00 0.00 52.86 48.37 2zal s ASN 105 Cb 0.16 -1.33 0.91 0.00 -0.02 0.00 0.00 41.25 40.97 2zal s ASN 105 CO 0.78 -0.24 1.71 -0.65 -2.57 0.00 0.00 177.10 176.14 2zal h PRO 106 N 6.51 0.51 -0.21 -0.60 0.11 -1.94 -1.17 132.00 135.21 2zal h PRO 106 Ca -0.02 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.00 2zal h PRO 106 Cb 0.90 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 2zal h PRO 106 CO 0.59 0.34 -0.11 -0.24 -0.21 0.00 0.00 178.00 178.37 2zal h VAL 107 N 0.52 1.19 -0.43 3.15 3.04 -1.92 0.81 116.25 122.61 2zal h VAL 107 Ca 0.66 -0.82 -0.12 0.00 -1.01 0.00 0.00 66.70 65.40 2zal h VAL 107 Cb 1.29 1.15 -0.01 0.00 -2.01 0.00 0.00 31.29 31.71 2zal h VAL 107 CO -0.50 0.26 -0.20 -0.07 -1.01 0.00 0.00 177.57 176.05 2zal h LEU 108 N 0.31 0.87 -0.66 3.16 3.38 -1.58 -1.20 115.31 119.61 2zal h LEU 108 Ca 0.06 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 2zal h LEU 108 Cb 0.39 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2zal h LEU 108 CO 0.02 1.05 0.20 0.00 0.09 0.00 0.00 178.44 179.80 2zal h ALA 109 N 1.01 0.86 -0.85 1.53 0.00 -1.03 -1.51 119.26 119.27 2zal h ALA 109 Ca 0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2zal h ALA 109 Cb 0.74 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2zal h ALA 109 CO 0.06 0.54 0.42 0.00 0.00 0.00 0.00 179.25 180.27 2zal h ALA 110 N 1.08 1.14 -0.37 0.00 0.00 -0.69 -1.30 119.26 119.12 2zal h ALA 110 Ca 0.21 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2zal h ALA 110 Cb 0.31 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2zal h ALA 110 CO -0.00 0.66 -0.15 -0.09 0.00 0.00 0.00 179.25 179.66 2zal h ARG 111 N 1.21 0.67 -0.71 0.00 9.65 -0.94 -1.48 114.38 122.78 2zal h ARG 111 Ca 0.29 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 2zal h ARG 111 Cb 0.09 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.58 2zal h ARG 111 CO -0.04 0.79 0.46 1.25 2.80 0.00 0.00 179.97 185.23 2zal h LEU 112 N 0.60 0.83 -0.27 3.80 5.85 -0.97 -0.51 115.31 124.65 2zal h LEU 112 Ca 0.10 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2zal h LEU 112 Cb 0.60 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2zal h LEU 112 CO 0.04 0.62 0.15 0.58 -0.34 0.00 0.00 178.44 179.48 2zal h VAL 113 N 0.97 1.13 -0.34 1.05 2.07 -0.78 0.25 116.25 120.59 2zal h VAL 113 Ca 0.26 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.48 2zal h VAL 113 Cb -0.09 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 2zal h VAL 113 CO -0.05 0.13 0.10 -0.03 0.02 0.00 0.00 177.57 177.74 2zal h MET 114 N 0.32 0.23 0.00 1.57 1.85 -1.06 -3.09 114.93 114.75 2zal h MET 114 Ca 0.10 -0.01 -0.17 0.00 -0.61 0.00 0.00 59.70 59.00 2zal h MET 114 Cb 0.07 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.02 2zal h MET 114 CO -0.01 0.15 -1.80 0.39 -0.40 0.00 0.00 176.91 175.24 2zal n GLU 115 N -5.04 0.65 -0.17 0.39 1.02 -0.22 -4.51 120.64 112.75 2zal n GLU 115 Ca 0.01 0.05 0.06 0.00 -0.02 0.00 0.00 57.16 57.26 2zal n GLU 115 Cb 0.13 -1.66 0.08 0.00 -0.02 0.00 0.00 31.44 29.97 2zal n GLU 115 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2zal n GLN 116 N -2.69 1.07 -4.22 3.49 6.02 0.86 -5.03 117.38 116.89 2zal n GLN 116 Ca -0.14 -1.93 -0.12 0.00 -0.01 0.00 0.00 57.00 54.80 2zal n GLN 116 Cb 0.85 -1.13 -0.10 0.00 1.02 0.00 0.00 30.24 30.88 2zal n GLN 116 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2zal s SER 117 N -2.01 1.14 -0.04 1.08 1.04 -1.17 -4.95 113.70 108.80 2zal s SER 117 Ca 0.18 -1.13 0.06 0.00 0.48 0.00 0.00 55.95 55.54 2zal s SER 117 Cb 0.16 0.12 0.23 0.00 0.10 0.00 0.00 66.02 66.63 2zal s SER 117 CO 0.02 -0.55 1.03 -0.81 0.98 0.00 0.00 173.24 173.91 2zal n PRO 118 N -0.18 1.87 -4.45 4.02 -0.04 -1.26 -4.82 135.00 130.14 2zal n PRO 118 Ca -0.08 -0.90 -0.27 0.00 -0.04 0.00 0.00 63.50 62.21 2zal n PRO 118 Cb 0.63 -1.46 -0.10 0.00 -0.04 0.00 0.00 33.50 32.53 2zal n PRO 118 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2zal s HIS 119 N -1.62 2.55 -0.15 0.54 3.76 -1.26 -5.06 115.29 114.05 2zal s HIS 119 Ca 0.16 -0.64 0.02 0.00 -0.15 0.00 0.00 55.06 54.45 2zal s HIS 119 Cb 0.10 -1.84 -0.10 0.00 1.11 0.00 0.00 32.58 31.85 2zal s HIS 119 CO 0.08 0.36 -0.11 0.28 -0.85 0.00 0.00 174.74 174.49 2zal n VAL 120 N -1.07 0.86 -4.35 -0.90 0.31 -1.26 -4.45 118.33 107.47 2zal n VAL 120 Ca -0.04 -0.35 -0.21 0.00 -0.01 0.00 0.00 64.34 63.73 2zal n VAL 120 Cb 0.66 -0.99 -0.16 0.00 -0.91 0.00 0.00 33.84 32.44 2zal n VAL 120 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 2zal s MET 121 N -2.30 1.06 0.01 5.55 -2.45 -1.26 -0.01 119.30 119.89 2zal s MET 121 Ca -0.18 -0.25 0.05 0.00 -1.25 0.00 0.00 55.69 54.06 2zal s MET 121 Cb 0.05 -0.97 -0.02 0.00 1.25 0.00 0.00 34.83 35.14 2zal s MET 121 CO 0.37 0.03 -0.16 -1.64 1.05 0.00 0.00 175.02 174.66 2zal s MET 122 N 0.54 1.23 0.15 4.11 1.00 -0.36 -4.98 119.30 120.99 2zal s MET 122 Ca -0.09 -0.66 0.09 0.00 0.00 0.00 0.00 55.69 55.02 2zal s MET 122 Cb -0.12 -1.22 -0.04 0.00 0.00 0.00 0.00 34.83 33.45 2zal s MET 122 CO 0.01 0.33 -0.19 0.96 0.00 0.00 0.00 175.02 176.13 2zal s ILE 123 N -0.54 1.82 0.00 2.53 -4.36 -1.26 -2.24 121.20 117.16 2zal s ILE 123 Ca 0.05 -1.85 0.00 0.00 -0.26 0.00 0.00 60.65 58.60 2zal s ILE 123 Cb -0.07 -1.80 0.00 0.00 1.25 0.00 0.00 42.46 41.84 2zal s ILE 123 CO 0.00 -0.26 0.00 0.61 0.24 0.00 0.00 174.94 175.54 2zal n GLY 124 N 0.45 1.72 0.26 6.27 0.00 -0.45 -2.06 105.19 111.39 2zal n GLY 124 Ca -0.14 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.45 2zal n GLY 124 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2zal h GLU 125 N 0.00 0.00 -0.47 1.61 4.81 -1.93 -1.44 114.58 117.16 2zal h GLU 125 Ca 0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 2zal h GLU 125 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2zal h GLU 125 CO 0.00 0.00 -0.23 0.78 -0.73 0.00 0.00 179.01 178.83 2zal h GLY 126 N 0.00 1.07 1.01 1.92 0.00 -1.96 0.17 103.07 105.28 2zal h GLY 126 Ca 0.00 -0.96 -0.04 0.00 0.00 0.00 0.00 47.33 46.33 2zal h GLY 126 CO -0.00 0.87 0.25 0.00 0.00 0.00 0.00 176.54 177.66 2zal h ALA 127 N 0.88 0.83 -0.25 3.60 0.00 -0.78 -1.19 119.26 122.33 2zal h ALA 127 Ca 0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2zal h ALA 127 Cb 0.81 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2zal h ALA 127 CO 0.07 0.45 0.07 0.93 0.00 0.00 0.00 179.25 180.77 2zal h GLU 128 N 0.90 0.40 -0.78 0.00 5.08 -1.14 -1.71 114.58 117.33 2zal h GLU 128 Ca 0.21 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 2zal h GLU 128 Cb 0.22 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 2zal h GLU 128 CO -0.02 0.49 0.31 -0.91 -1.00 0.00 0.00 179.01 177.88 2zal h ASN 129 N 0.24 1.08 -0.35 1.42 2.35 -0.88 0.88 115.58 120.32 2zal h ASN 129 Ca 0.08 -0.17 0.03 0.00 -0.55 0.00 0.00 56.30 55.69 2zal h ASN 129 Cb 0.26 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 2zal h ASN 129 CO -0.00 0.96 0.16 0.15 -1.65 0.00 0.00 177.43 177.05 2zal h PHE 130 N 1.14 0.28 -0.38 1.19 3.57 -1.12 -1.72 116.94 119.90 2zal h PHE 130 Ca 0.26 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.72 2zal h PHE 130 Cb 0.22 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 2zal h PHE 130 CO 0.02 0.14 0.02 0.00 -2.23 0.00 0.00 178.31 176.26 2zal h ALA 131 N 1.20 0.51 -0.57 2.41 0.00 -0.58 -2.44 119.26 119.79 2zal h ALA 131 Ca 0.15 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2zal h ALA 131 Cb 0.09 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2zal h ALA 131 CO -0.13 0.27 0.35 0.74 0.00 0.00 0.00 179.25 180.48 2zal h PHE 132 N 0.49 0.74 0.00 0.00 0.04 -0.73 -1.24 116.94 116.25 2zal h PHE 132 Ca 0.11 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.80 2zal h PHE 132 Cb 0.44 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 2zal h PHE 132 CO 0.03 0.49 -0.39 0.00 -0.60 0.00 0.00 178.31 177.84 2zal h ALA 133 N 1.60 1.06 -0.26 2.45 0.00 -0.98 -2.61 119.26 120.52 2zal h ALA 133 Ca 0.21 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2zal h ALA 133 Cb -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2zal h ALA 133 CO -0.04 0.49 0.00 0.54 0.00 0.00 0.00 179.25 180.24 2zal n ARG 134 N -3.65 1.93 -0.24 0.00 5.12 -0.63 -4.92 116.66 114.27 2zal n ARG 134 Ca -0.01 -1.07 0.00 0.00 -1.93 0.00 0.00 57.85 54.84 2zal n ARG 134 Cb 0.49 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.38 2zal n ARG 134 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2zal n GLY 135 N 0.71 0.76 3.78 -0.13 0.00 -0.98 -5.06 105.19 104.26 2zal n GLY 135 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2zal n GLY 135 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2zal s MET 136 N -0.67 3.86 0.35 1.61 0.00 -0.56 -4.98 119.30 118.90 2zal s MET 136 Ca 0.00 1.57 -0.16 0.00 0.00 0.00 0.00 55.69 57.10 2zal s MET 136 Cb 0.00 -2.33 -0.09 0.00 0.00 0.00 0.00 34.83 32.41 2zal s MET 136 CO 0.00 -0.42 0.78 -2.00 0.00 0.00 0.00 175.02 173.38 2zal s GLU 137 N -2.82 4.03 -0.20 4.11 2.12 -1.26 -4.13 118.70 120.54 2zal s GLU 137 Ca 0.64 0.74 -0.13 0.00 0.36 0.00 0.00 54.97 56.57 2zal s GLU 137 Cb -0.23 -2.38 -0.05 0.00 0.26 0.00 0.00 34.13 31.74 2zal s GLU 137 CO 0.28 0.11 0.27 0.50 -0.54 0.00 0.00 175.26 175.87 2zal s ARG 138 N -3.09 4.17 0.30 4.30 3.52 -1.26 -4.61 118.95 122.29 2zal s ARG 138 Ca 0.55 -0.01 0.11 0.00 -0.13 0.00 0.00 55.73 56.25 2zal s ARG 138 Cb -0.10 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 29.75 2zal s ARG 138 CO 0.18 0.11 -0.14 0.14 -0.81 0.00 0.00 175.30 174.78 2zal s VAL 139 N 0.88 2.48 0.18 7.11 -7.23 -0.68 -5.04 120.40 118.10 2zal s VAL 139 Ca 0.14 -2.27 -0.29 0.00 -1.81 0.00 0.00 61.98 57.74 2zal s VAL 139 Cb -0.13 -2.49 -0.08 0.00 0.56 0.00 0.00 36.38 34.24 2zal s VAL 139 CO 0.05 -0.32 0.91 -0.55 -0.31 0.00 0.00 175.10 174.88 2zal s SER 140 N -3.57 7.55 0.26 4.85 0.15 -1.26 -4.48 113.70 117.20 2zal s SER 140 Ca 0.31 1.84 0.19 0.00 0.70 0.00 0.00 55.95 58.99 2zal s SER 140 Cb -0.02 -2.58 0.99 0.00 -1.71 0.00 0.00 66.02 62.69 2zal s SER 140 CO 0.16 0.09 1.59 -0.81 1.20 0.00 0.00 173.24 175.48 2zal n PRO 141 N 1.96 0.13 -0.33 5.44 -0.04 -1.24 -1.91 135.00 139.01 2zal n PRO 141 Ca -0.01 0.56 0.24 0.00 -0.04 0.00 0.00 63.50 64.25 2zal n PRO 141 Cb 0.48 -1.88 0.52 0.00 -0.04 0.00 0.00 33.50 32.59 2zal n PRO 141 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2zal h GLU 142 N 0.00 0.35 0.00 0.54 4.81 -1.92 -2.79 114.58 115.57 2zal h GLU 142 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2zal h GLU 142 Cb 0.09 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2zal h GLU 142 CO 0.00 0.23 0.00 -0.84 -0.73 0.00 0.00 179.01 177.67 2zal h ILE 143 N 0.36 0.00 0.00 2.32 3.07 -1.79 -2.65 117.51 118.83 2zal h ILE 143 Ca 0.60 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 66.77 2zal h ILE 143 Cb 1.58 1.18 0.00 0.00 -0.27 0.00 0.00 36.82 39.31 2zal h ILE 143 CO -0.29 0.00 -0.36 -0.26 -1.05 0.00 0.00 178.15 176.19 2zal h PHE 144 N 0.00 0.00 -3.30 0.16 0.04 -1.73 -3.44 116.94 108.67 2zal h PHE 144 Ca 0.00 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.24 2zal h PHE 144 Cb 0.26 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.42 2zal h PHE 144 CO 0.00 0.00 0.57 -1.12 -0.60 0.00 0.00 178.31 177.16 2zal s SER 145 N -5.24 7.07 0.15 2.17 0.01 -1.00 -1.17 113.70 115.69 2zal s SER 145 Ca 0.06 2.12 0.07 0.00 1.31 0.00 0.00 55.95 59.51 2zal s SER 145 Cb 0.09 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 2zal s SER 145 CO 0.69 -0.44 -0.15 0.42 0.41 0.00 0.00 173.24 174.18 2zal s THR 146 N 0.60 1.51 0.27 1.44 -4.23 -1.26 -4.86 115.64 109.12 2zal s THR 146 Ca 0.57 -1.91 0.03 0.00 -1.18 0.00 0.00 61.69 59.19 2zal s THR 146 Cb -0.31 -1.75 0.05 0.00 1.34 0.00 0.00 72.50 71.83 2zal s THR 146 CO 0.32 -0.47 1.70 0.77 -0.54 0.00 0.00 174.62 176.40 2zal h SER 147 N 3.16 0.45 -0.08 3.99 4.64 -1.99 -2.39 113.55 121.33 2zal h SER 147 Ca -0.40 -0.17 0.04 0.00 -0.47 0.00 0.00 61.79 60.80 2zal h SER 147 Cb 1.20 -0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 63.11 2zal h SER 147 CO 0.55 0.74 -0.29 0.25 -0.87 0.00 0.00 176.83 177.21 2zal h LEU 148 N 0.38 -0.89 -0.67 5.97 5.85 -1.98 -0.67 115.31 123.30 2zal h LEU 148 Ca 0.05 0.13 -0.14 0.00 0.84 0.00 0.00 57.88 58.75 2zal h LEU 148 Cb 0.74 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 2zal h LEU 148 CO 0.06 -0.34 -0.63 0.03 -0.34 0.00 0.00 178.44 177.21 2zal h ARG 149 N -0.39 0.14 -0.37 1.25 2.47 -1.89 -2.02 114.38 113.56 2zal h ARG 149 Ca 0.08 -0.10 -0.03 0.00 -1.26 0.00 0.00 59.98 58.68 2zal h ARG 149 Cb 0.52 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.84 2zal h ARG 149 CO -0.30 0.72 0.12 -0.92 0.56 0.00 0.00 179.97 180.15 2zal h TYR 150 N 0.10 0.58 -0.18 3.04 3.20 -1.14 -1.06 116.97 121.52 2zal h TYR 150 Ca -0.01 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.75 2zal h TYR 150 Cb 1.13 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 2zal h TYR 150 CO 0.01 0.55 -0.15 1.49 -1.64 0.00 0.00 178.16 178.43 2zal h GLU 151 N 0.44 0.30 -0.11 1.82 4.81 -0.97 -1.52 114.58 119.36 2zal h GLU 151 Ca 0.12 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 2zal h GLU 151 Cb 0.24 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2zal h GLU 151 CO -0.01 0.45 -0.44 1.96 -0.73 0.00 0.00 179.01 180.24 2zal h GLN 152 N 0.28 0.26 -0.23 1.92 4.20 -0.96 -2.21 115.11 118.36 2zal h GLN 152 Ca 0.05 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2zal h GLN 152 Cb 0.44 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 2zal h GLN 152 CO 0.03 0.66 0.12 1.25 -0.67 0.00 0.00 178.83 180.21 2zal h LEU 153 N 0.21 0.30 -1.46 1.46 5.85 -0.18 -1.66 115.31 119.84 2zal h LEU 153 Ca 0.02 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2zal h LEU 153 Cb 0.87 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 2zal h LEU 153 CO 0.07 0.32 0.18 -0.07 -0.34 0.00 0.00 178.44 178.61 2zal h LEU 154 N 0.25 0.49 -0.56 2.25 -0.00 -1.33 -2.41 115.31 114.00 2zal h LEU 154 Ca 0.08 -0.04 -0.14 0.00 -0.00 0.00 0.00 57.88 57.78 2zal h LEU 154 Cb 0.10 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.63 2zal h LEU 154 CO -0.01 0.43 -0.41 0.00 -0.00 0.00 0.00 178.44 178.45 2zal h ALA 155 N 1.65 0.74 0.00 1.53 0.00 -1.09 -2.68 119.26 119.41 2zal h ALA 155 Ca 0.14 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2zal h ALA 155 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2zal h ALA 155 CO -0.02 0.66 -0.20 0.00 0.00 0.00 0.00 179.25 179.69 2zal h ALA 156 N 0.97 1.31 -0.00 0.00 0.00 -0.98 -3.51 119.26 117.05 2zal h ALA 156 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2zal h ALA 156 Cb 0.95 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2zal h ALA 156 CO 0.09 0.25 0.00 0.54 0.00 0.00 0.00 179.25 180.12