#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zw3 s TRP 3 N 0.00 3.02 0.00 2.11 0.23 -1.26 -4.15 118.94 118.90 2zw3 s TRP 3 Ca 0.00 -0.21 0.00 0.00 -2.03 0.00 0.00 56.10 53.86 2zw3 s TRP 3 Cb 0.00 -3.51 0.00 0.00 0.03 0.00 0.00 33.47 29.99 2zw3 s TRP 3 CO 0.00 -0.99 0.00 0.41 0.96 0.00 0.00 176.95 177.33 2zw3 n GLY 4 N 5.09 2.93 0.31 0.98 0.00 -1.26 -4.90 105.19 108.34 2zw3 n GLY 4 Ca -0.03 -0.83 0.07 0.00 0.00 0.00 0.00 46.02 45.24 2zw3 n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zw3 h THR 5 N 0.00 1.02 0.03 2.61 1.03 -2.02 -3.19 112.91 112.39 2zw3 h THR 5 Ca 0.00 -0.13 -0.28 0.00 -0.01 0.00 0.00 66.41 65.99 2zw3 h THR 5 Cb 0.00 0.60 -0.03 0.00 -1.07 0.00 0.00 68.15 67.65 2zw3 h THR 5 CO 0.00 0.07 -1.48 -0.07 -0.01 0.00 0.00 175.52 174.03 2zw3 h LEU 6 N 0.38 0.11 -2.21 0.00 3.38 -1.91 -3.22 115.31 111.85 2zw3 h LEU 6 Ca 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2zw3 h LEU 6 Cb 0.14 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2zw3 h LEU 6 CO -0.04 1.15 0.00 1.56 0.09 0.00 0.00 178.44 181.21 2zw3 h GLN 7 N 0.02 0.00 0.00 1.13 7.50 -1.84 -2.30 115.11 119.62 2zw3 h GLN 7 Ca -0.20 0.00 -0.20 0.00 0.50 0.00 0.00 58.65 58.75 2zw3 h GLN 7 Cb 1.95 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 29.44 2zw3 h GLN 7 CO 0.11 0.00 -1.61 2.41 -1.50 0.00 0.00 178.83 178.24 2zw3 n THR 8 N -3.08 1.19 -0.19 -0.54 -1.04 -1.23 -0.47 114.28 108.92 2zw3 n THR 8 Ca -0.01 -0.71 0.03 0.00 -2.04 0.00 0.00 64.05 61.32 2zw3 n THR 8 Cb 0.19 -0.70 0.30 0.00 -1.82 0.00 0.00 70.33 68.30 2zw3 n THR 8 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2zw3 h ILE 9 N 0.00 1.12 0.00 12.58 2.04 -1.42 0.23 117.51 132.06 2zw3 h ILE 9 Ca -0.22 -0.31 -0.24 0.00 1.00 0.00 0.00 64.86 65.10 2zw3 h ILE 9 Cb 1.69 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 2zw3 h ILE 9 CO 0.05 0.16 -2.04 0.18 0.00 0.00 0.00 178.15 176.50 2zw3 n LEU 10 N -4.45 0.00 0.00 1.44 4.77 -1.22 -4.67 117.00 112.88 2zw3 n LEU 10 Ca 0.09 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.92 2zw3 n LEU 10 Cb 0.11 0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 2zw3 n LEU 10 CO 0.35 0.33 0.29 1.23 -1.33 0.00 0.00 177.39 178.25 2zw3 h GLY 11 N 3.14 0.74 -6.66 -0.72 0.00 -0.70 -3.32 103.07 95.55 2zw3 h GLY 11 Ca -0.36 -1.05 -0.76 0.00 0.00 0.00 0.00 47.33 45.15 2zw3 h GLY 11 CO 0.02 0.94 1.74 0.61 0.00 0.00 0.00 176.54 179.84 2zw3 n GLY 12 N 0.67 4.68 3.60 4.60 0.00 0.80 -4.96 105.19 114.58 2zw3 n GLY 12 Ca -0.07 -2.19 -0.29 0.00 0.00 0.00 0.00 46.02 43.48 2zw3 n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2zw3 s VAL 13 N -0.03 2.07 0.08 1.61 1.01 -1.25 -4.83 120.40 119.05 2zw3 s VAL 13 Ca 0.38 0.02 -0.36 0.00 0.00 0.00 0.00 61.98 62.03 2zw3 s VAL 13 Cb 0.07 -2.32 -0.18 0.00 0.00 0.00 0.00 36.38 33.96 2zw3 s VAL 13 CO 0.02 -0.03 1.56 0.78 0.00 0.00 0.00 175.10 177.42 2zw3 h ASN 14 N -2.21 -1.32 -0.48 3.32 4.21 -1.94 -3.43 115.58 113.73 2zw3 h ASN 14 Ca -0.57 0.09 -0.22 0.00 1.21 0.00 0.00 56.30 56.81 2zw3 h ASN 14 Cb 1.33 0.41 -0.16 0.00 -1.12 0.00 0.00 38.32 38.78 2zw3 h ASN 14 CO 0.54 -0.71 -0.53 0.29 -1.29 0.00 0.00 177.43 175.73 2zw3 n LYS 15 N -5.54 0.68 -0.10 0.81 4.76 -1.26 -5.07 118.16 112.44 2zw3 n LYS 15 Ca -0.13 -1.94 -0.20 0.00 -2.87 0.00 0.00 58.31 53.17 2zw3 n LYS 15 Cb 0.48 -1.46 -0.11 0.00 -1.84 0.00 0.00 35.03 32.10 2zw3 n LYS 15 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 2zw3 h HIS 16 N 4.36 0.00 -3.35 2.13 2.07 -2.02 -3.50 115.15 114.84 2zw3 h HIS 16 Ca -0.06 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.46 2zw3 h HIS 16 Cb 1.05 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.96 2zw3 h HIS 16 CO 0.06 1.35 0.05 -1.54 -3.07 0.00 0.00 177.93 174.78 2zw3 s SER 17 N -6.73 -0.16 -0.60 3.10 1.04 -1.26 -5.13 113.70 103.95 2zw3 s SER 17 Ca -0.27 -0.79 0.04 0.00 0.48 0.00 0.00 55.95 55.41 2zw3 s SER 17 Cb 0.05 0.66 0.16 0.00 0.10 0.00 0.00 66.02 66.99 2zw3 s SER 17 CO 0.56 -1.25 0.40 0.42 0.98 0.00 0.00 173.24 174.36 2zw3 s THR 18 N -3.94 2.31 0.00 2.02 -4.23 -1.26 -4.86 115.64 105.68 2zw3 s THR 18 Ca 0.17 -3.69 0.00 0.00 -1.18 0.00 0.00 61.69 56.99 2zw3 s THR 18 Cb -0.03 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.26 2zw3 s THR 18 CO 0.08 -0.99 0.04 -1.54 -0.54 0.00 0.00 174.62 171.67 2zw3 n SER 19 N 2.47 0.08 0.00 3.99 3.41 -1.26 -5.01 113.62 117.30 2zw3 n SER 19 Ca 0.17 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 2zw3 n SER 19 Cb 0.36 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2zw3 n SER 19 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2zw3 n ILE 20 N -0.04 0.00 0.03 -1.33 5.41 -1.26 -4.71 119.36 117.46 2zw3 n ILE 20 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.81 2zw3 n ILE 20 Cb 0.14 -0.52 0.12 0.00 -0.71 0.00 0.00 39.64 38.68 2zw3 n ILE 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2zw3 n GLY 21 N -1.61 1.77 0.08 7.39 0.00 -1.26 -4.17 105.19 107.39 2zw3 n GLY 21 Ca 0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.51 2zw3 n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2zw3 h LYS 22 N 2.14 0.08 0.03 1.61 1.79 -1.94 -3.15 116.57 117.12 2zw3 h LYS 22 Ca 0.00 -0.09 -0.07 0.00 -2.18 0.00 0.00 60.65 58.30 2zw3 h LYS 22 Cb 0.65 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.33 2zw3 h LYS 22 CO 0.00 0.91 -0.36 -0.84 -1.08 0.00 0.00 179.45 178.09 2zw3 h ILE 23 N -0.72 1.61 -0.94 1.86 3.07 -1.99 -3.33 117.51 117.06 2zw3 h ILE 23 Ca -0.02 -2.36 0.19 0.00 1.55 0.00 0.00 64.86 64.22 2zw3 h ILE 23 Cb 0.97 3.19 -0.18 0.00 -0.27 0.00 0.00 36.82 40.53 2zw3 h ILE 23 CO 0.03 0.59 -0.23 0.79 -1.05 0.00 0.00 178.15 178.28 2zw3 n TRP 24 N -4.48 0.35 -0.14 0.16 7.02 -1.26 0.40 117.44 119.49 2zw3 n TRP 24 Ca -0.14 1.15 -0.01 0.00 -1.02 0.00 0.00 57.50 57.48 2zw3 n TRP 24 Cb 0.58 -1.05 0.23 0.00 -2.42 0.00 0.00 31.31 28.64 2zw3 n TRP 24 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 2zw3 h LEU 25 N 0.00 0.76 0.00 -0.99 6.46 -1.70 -2.45 115.31 117.39 2zw3 h LEU 25 Ca 0.46 -0.10 -0.21 0.00 -0.12 0.00 0.00 57.88 57.91 2zw3 h LEU 25 Cb 0.70 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 2zw3 h LEU 25 CO -0.97 0.69 -1.15 0.74 -0.62 0.00 0.00 178.44 177.13 2zw3 h THR 26 N 0.83 1.20 -0.72 1.05 2.02 -0.16 -1.96 112.91 115.17 2zw3 h THR 26 Ca 0.20 -2.87 -0.03 0.00 0.77 0.00 0.00 66.41 64.48 2zw3 h THR 26 Cb 0.16 2.57 -0.03 0.00 -1.74 0.00 0.00 68.15 69.11 2zw3 h THR 26 CO -0.02 0.69 0.35 0.58 0.37 0.00 0.00 175.52 177.49 2zw3 h VAL 27 N 0.00 1.23 0.07 3.16 2.07 -0.01 -1.11 116.25 121.66 2zw3 h VAL 27 Ca -0.10 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 2zw3 h VAL 27 Cb 1.75 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2zw3 h VAL 27 CO 0.10 0.27 -0.03 -0.07 0.02 0.00 0.00 177.57 177.85 2zw3 h LEU 28 N 1.02 -0.08 -0.95 2.57 3.38 -1.45 -0.42 115.31 119.39 2zw3 h LEU 28 Ca 0.25 -0.32 0.27 0.00 0.09 0.00 0.00 57.88 58.17 2zw3 h LEU 28 Cb 0.10 0.02 -0.17 0.00 0.09 0.00 0.00 40.66 40.70 2zw3 h LEU 28 CO -0.03 0.29 0.15 0.15 0.09 0.00 0.00 178.44 179.08 2zw3 h PHE 29 N -0.46 0.17 0.65 1.13 3.57 -1.06 1.37 116.94 122.30 2zw3 h PHE 29 Ca -0.01 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 2zw3 h PHE 29 Cb 0.40 0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.23 2zw3 h PHE 29 CO 0.05 -0.37 -0.31 0.82 -2.23 0.00 0.00 178.31 176.27 2zw3 h ILE 30 N 0.07 0.00 -0.99 1.41 2.04 -1.15 -2.66 117.51 116.23 2zw3 h ILE 30 Ca 0.61 -0.35 0.27 0.00 1.00 0.00 0.00 64.86 66.39 2zw3 h ILE 30 Cb 1.29 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 37.19 2zw3 h ILE 30 CO -0.82 0.00 -0.00 0.33 0.00 0.00 0.00 178.15 177.66 2zw3 n PHE 31 N -5.30 0.61 0.19 1.37 7.35 0.16 -0.50 117.46 121.34 2zw3 n PHE 31 Ca -0.11 1.19 0.05 0.00 -0.76 0.00 0.00 57.45 57.82 2zw3 n PHE 31 Cb 0.34 -1.23 0.39 0.00 0.35 0.00 0.00 39.48 39.33 2zw3 n PHE 31 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 2zw3 h ARG 32 N 0.00 0.00 0.00 -4.13 2.43 0.17 0.23 114.38 113.08 2zw3 h ARG 32 Ca 0.59 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.76 2zw3 h ARG 32 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2zw3 h ARG 32 CO -0.94 0.36 -0.41 1.51 -1.51 0.00 0.00 179.97 178.98 2zw3 n ILE 33 N -3.74 0.29 -0.03 1.20 0.13 0.34 -3.06 119.36 114.49 2zw3 n ILE 33 Ca -0.01 -0.19 -0.16 0.00 -1.10 0.00 0.00 62.75 61.29 2zw3 n ILE 33 Cb 0.45 -0.18 -0.13 0.00 -0.84 0.00 0.00 39.64 38.93 2zw3 n ILE 33 CO 0.00 0.00 0.00 0.24 2.80 0.00 0.00 176.55 179.59 2zw3 h MET 34 N 0.00 0.12 -0.91 9.51 2.86 0.26 -2.27 114.93 124.50 2zw3 h MET 34 Ca 0.00 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 2zw3 h MET 34 Cb 0.67 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.35 2zw3 h MET 34 CO 0.00 1.05 0.51 0.97 1.06 0.00 0.00 176.91 180.50 2zw3 h ILE 35 N -0.72 1.26 -0.09 -1.22 2.10 -1.12 -2.56 117.51 115.16 2zw3 h ILE 35 Ca -0.05 -0.62 -0.18 0.00 1.08 0.00 0.00 64.86 65.09 2zw3 h ILE 35 Cb 1.18 0.02 -0.01 0.00 -1.09 0.00 0.00 36.82 36.92 2zw3 h ILE 35 CO 0.05 0.29 -0.69 0.25 -1.08 0.00 0.00 178.15 176.97 2zw3 h LEU 36 N 1.27 0.46 0.00 2.19 6.46 -1.66 -1.55 115.31 122.48 2zw3 h LEU 36 Ca 0.32 -0.29 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2zw3 h LEU 36 Cb 0.01 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 39.80 2zw3 h LEU 36 CO -0.05 1.02 0.00 0.55 -0.62 0.00 0.00 178.44 179.33 2zw3 n VAL 37 N -3.85 0.00 -0.07 1.05 3.14 -0.85 -1.96 118.33 115.78 2zw3 n VAL 37 Ca -0.04 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.22 2zw3 n VAL 37 Cb 0.68 -0.20 -0.04 0.00 -1.06 0.00 0.00 33.84 33.23 2zw3 n VAL 37 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2zw3 n VAL 38 N -0.63 1.26 -0.06 1.55 0.31 -0.97 -4.78 118.33 115.01 2zw3 n VAL 38 Ca 0.05 0.02 -0.02 0.00 -0.01 0.00 0.00 64.34 64.39 2zw3 n VAL 38 Cb 0.02 -1.96 -0.01 0.00 -0.91 0.00 0.00 33.84 30.98 2zw3 n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2zw3 h ALA 39 N -0.67 -0.12 -1.57 3.52 0.00 -1.31 -3.24 119.26 115.86 2zw3 h ALA 39 Ca -0.20 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2zw3 h ALA 39 Cb 0.98 1.02 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2zw3 h ALA 39 CO -0.12 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 178.95 2zw3 n ALA 40 N -3.00 -0.02 0.26 0.00 0.00 -0.83 0.31 120.51 117.23 2zw3 n ALA 40 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 2zw3 n ALA 40 Cb 0.04 0.34 0.81 0.00 0.00 0.00 0.00 19.45 20.64 2zw3 n ALA 40 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2zw3 h LYS 41 N 0.00 0.00 0.00 0.00 1.79 -1.83 -2.89 116.57 113.64 2zw3 h LYS 41 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2zw3 h LYS 41 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2zw3 h LYS 41 CO 0.00 0.00 -0.69 -1.91 -1.08 0.00 0.00 179.45 175.77 2zw3 n GLU 42 N -2.60 0.38 0.02 3.15 4.07 -0.39 -4.58 120.64 120.69 2zw3 n GLU 42 Ca -0.01 0.17 0.12 0.00 -0.06 0.00 0.00 57.16 57.38 2zw3 n GLU 42 Cb 0.09 -1.19 0.20 0.00 -0.06 0.00 0.00 31.44 30.48 2zw3 n GLU 42 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 2zw3 n VAL 43 N -3.91 0.15 -0.04 6.31 0.24 0.15 -4.32 118.33 116.91 2zw3 n VAL 43 Ca -0.10 -0.13 0.04 0.00 -2.04 0.00 0.00 64.34 62.12 2zw3 n VAL 43 Cb 0.36 0.10 -0.17 0.00 -1.47 0.00 0.00 33.84 32.67 2zw3 n VAL 43 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 2zw3 n TRP 44 N -1.78 0.01 -0.33 6.34 7.02 -1.09 -4.19 117.44 123.43 2zw3 n TRP 44 Ca 0.04 0.00 0.19 0.00 -1.02 0.00 0.00 57.50 56.71 2zw3 n TRP 44 Cb 0.39 -0.66 0.36 0.00 -2.42 0.00 0.00 31.31 28.97 2zw3 n TRP 44 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2zw3 n GLY 45 N 1.41 -1.17 0.26 6.99 0.00 -1.26 0.36 105.19 111.79 2zw3 n GLY 45 Ca -0.13 0.91 0.12 0.00 0.00 0.00 0.00 46.02 46.91 2zw3 n GLY 45 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2zw3 h ASP 46 N 0.00 0.00 -0.98 1.61 3.32 -1.84 -3.36 116.42 115.18 2zw3 h ASP 46 Ca 0.64 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.79 2zw3 h ASP 46 Cb 1.45 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.88 2zw3 h ASP 46 CO -0.87 0.12 -0.56 -1.84 -1.72 0.00 0.00 179.24 174.37 2zw3 n GLU 47 N -3.77 -0.41 -0.07 3.56 0.28 0.16 -1.44 120.64 118.93 2zw3 n GLU 47 Ca -0.02 1.48 -0.15 0.00 -0.16 0.00 0.00 57.16 58.32 2zw3 n GLU 47 Cb 0.22 -2.18 -0.13 0.00 1.43 0.00 0.00 31.44 30.78 2zw3 n GLU 47 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 2zw3 h GLN 48 N 0.00 0.00 0.00 3.44 5.75 -1.76 -3.29 115.11 119.26 2zw3 h GLN 48 Ca 0.17 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 2zw3 h GLN 48 Cb 0.42 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.97 2zw3 h GLN 48 CO -0.93 0.98 0.00 0.00 -2.65 0.00 0.00 178.83 176.23 2zw3 n ALA 49 N -2.71 -0.01 0.70 3.38 0.00 -0.88 -1.92 120.51 119.07 2zw3 n ALA 49 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2zw3 n ALA 49 Cb 0.49 0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.12 2zw3 n ALA 49 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2zw3 n ASP 50 N -0.92 0.97 -4.52 0.00 10.43 -0.52 -4.68 116.55 117.31 2zw3 n ASP 50 Ca 0.00 -1.39 -0.42 0.00 2.57 0.00 0.00 54.79 55.54 2zw3 n ASP 50 Cb 0.00 -0.35 -0.04 0.00 1.84 0.00 0.00 41.12 42.58 2zw3 n ASP 50 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 2zw3 s PHE 51 N -0.75 2.62 -0.30 1.24 5.36 -0.81 -4.42 117.98 120.92 2zw3 s PHE 51 Ca 0.00 -0.07 -0.10 0.00 -0.96 0.00 0.00 56.93 55.80 2zw3 s PHE 51 Cb 0.00 -4.32 -0.02 0.00 -0.34 0.00 0.00 43.02 38.34 2zw3 s PHE 51 CO 0.00 -1.62 0.16 0.14 -1.46 0.00 0.00 175.22 172.44 2zw3 s VAL 52 N 4.53 4.81 -0.24 3.12 -7.23 -0.51 -4.87 120.40 120.02 2zw3 s VAL 52 Ca 0.32 -0.22 -0.11 0.00 -1.81 0.00 0.00 61.98 60.16 2zw3 s VAL 52 Cb -0.12 -3.39 -0.05 0.00 0.56 0.00 0.00 36.38 33.39 2zw3 s VAL 52 CO 0.17 0.14 0.17 0.00 -0.31 0.00 0.00 175.10 175.27 2zw3 n ASN 54 N 4.33 3.60 -3.50 0.00 2.85 -0.94 -4.85 115.26 116.74 2zw3 n ASN 54 Ca -0.15 -2.78 -0.14 0.00 -0.11 0.00 0.00 54.58 51.40 2zw3 n ASN 54 Cb 0.52 -1.60 -0.04 0.00 1.24 0.00 0.00 39.78 39.90 2zw3 n ASN 54 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2zw3 s THR 55 N 6.69 0.01 -2.80 -0.44 -1.32 -1.26 -4.50 115.64 112.02 2zw3 s THR 55 Ca 0.59 -0.10 0.22 0.00 -1.21 0.00 0.00 61.69 61.19 2zw3 s THR 55 Cb 0.06 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.23 2zw3 s THR 55 CO 0.08 -0.05 1.21 0.18 -2.21 0.00 0.00 174.62 173.83 2zw3 n LEU 56 N 0.23 2.87 -4.57 9.08 4.32 -1.26 -4.93 117.00 122.75 2zw3 n LEU 56 Ca -0.18 -1.00 -0.41 0.00 -0.02 0.00 0.00 56.01 54.40 2zw3 n LEU 56 Cb 0.61 -0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.38 2zw3 n LEU 56 CO 0.18 0.49 1.30 -1.58 -1.22 0.00 0.00 177.39 176.56 2zw3 s GLN 57 N -1.87 3.20 0.03 3.23 2.00 -1.26 -4.93 119.66 120.06 2zw3 s GLN 57 Ca 0.26 0.42 -0.05 0.00 -2.00 0.00 0.00 55.36 53.99 2zw3 s GLN 57 Cb 0.19 -4.17 -0.01 0.00 0.80 0.00 0.00 33.01 29.82 2zw3 s GLN 57 CO 0.28 -2.07 0.81 -2.30 -0.50 0.00 0.00 175.29 171.51 2zw3 n PRO 58 N 8.81 -0.07 -0.27 1.67 -0.02 -1.26 -1.63 135.00 142.23 2zw3 n PRO 58 Ca 0.13 0.80 0.07 0.00 -2.02 0.00 0.00 63.50 62.48 2zw3 n PRO 58 Cb 0.49 -1.20 0.18 0.00 -0.02 0.00 0.00 33.50 32.96 2zw3 n PRO 58 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2zw3 h GLY 59 N 0.00 0.94 -0.39 -1.23 0.00 -1.92 -3.34 103.07 97.13 2zw3 h GLY 59 Ca 0.03 0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.48 2zw3 h GLY 59 CO -0.16 -0.31 -0.23 0.00 0.00 0.00 0.00 176.54 175.84 2zw3 h LYS 61 N 0.00 0.16 -0.33 0.00 3.64 -1.78 0.48 116.57 118.73 2zw3 h LYS 61 Ca 0.06 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 2zw3 h LYS 61 Cb 0.16 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 2zw3 h LYS 61 CO -0.37 0.10 0.16 -0.91 -2.27 0.00 0.00 179.45 176.16 2zw3 h ASN 62 N 0.16 0.22 -0.12 4.20 4.21 -1.82 -0.03 115.58 122.40 2zw3 h ASN 62 Ca 0.21 0.02 -0.06 0.00 1.21 0.00 0.00 56.30 57.68 2zw3 h ASN 62 Cb 0.28 -0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.45 2zw3 h ASN 62 CO -0.31 0.17 -0.10 0.58 -1.29 0.00 0.00 177.43 176.47 2zw3 h VAL 63 N 0.33 1.22 0.00 2.81 2.07 -1.34 -2.00 116.25 119.34 2zw3 h VAL 63 Ca 0.14 -0.93 -0.13 0.00 0.82 0.00 0.00 66.70 66.60 2zw3 h VAL 63 Cb 0.07 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2zw3 h VAL 63 CO -0.11 0.31 -0.62 0.00 0.02 0.00 0.00 177.57 177.16 2zw3 h TYR 65 N 0.00 -0.18 0.57 0.00 3.20 -0.78 -3.26 116.97 116.53 2zw3 h TYR 65 Ca -0.01 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 2zw3 h TYR 65 Cb 1.19 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.52 2zw3 h TYR 65 CO 0.00 0.26 -0.32 0.22 -1.64 0.00 0.00 178.16 176.68 2zw3 h ASP 66 N -0.73 -0.79 0.00 -2.11 -0.00 -1.31 1.69 116.42 113.17 2zw3 h ASP 66 Ca -0.02 0.04 0.00 0.00 -0.00 0.00 0.00 57.03 57.05 2zw3 h ASP 66 Cb 0.52 0.22 0.00 0.00 -0.00 0.00 0.00 39.33 40.07 2zw3 h ASP 66 CO 0.03 -0.51 0.54 -0.74 -0.00 0.00 0.00 179.24 178.56 2zw3 h HIS 67 N -0.82 0.00 0.00 0.28 2.76 -1.39 -1.45 115.15 114.53 2zw3 h HIS 67 Ca -0.08 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.09 2zw3 h HIS 67 Cb 0.65 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.61 2zw3 h HIS 67 CO 0.01 0.00 -0.99 0.66 -1.30 0.00 0.00 177.93 176.31 2zw3 n TYR 68 N -2.06 0.00 -3.33 5.26 4.01 -0.05 -4.82 117.16 116.17 2zw3 n TYR 68 Ca -0.01 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.48 2zw3 n TYR 68 Cb 0.55 -0.06 -0.08 0.00 -0.31 0.00 0.00 39.34 39.44 2zw3 n TYR 68 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2zw3 n PHE 69 N -1.52 0.49 0.27 -0.72 3.01 0.56 -5.01 117.46 114.54 2zw3 n PHE 69 Ca -0.00 -3.67 -0.12 0.00 1.01 0.00 0.00 57.45 54.67 2zw3 n PHE 69 Cb 0.07 -0.27 -0.06 0.00 -0.01 0.00 0.00 39.48 39.21 2zw3 n PHE 69 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 2zw3 h PRO 70 N 4.50 -0.71 -4.57 -1.08 0.11 -1.78 -3.37 132.00 125.10 2zw3 h PRO 70 Ca 0.14 0.05 -0.68 0.00 0.11 0.00 0.00 66.00 65.62 2zw3 h PRO 70 Cb 0.84 0.16 -0.37 0.00 0.11 0.00 0.00 31.00 31.74 2zw3 h PRO 70 CO 0.53 -0.44 -0.62 0.42 -0.21 0.00 0.00 178.00 177.68 2zw3 s ILE 71 N -4.18 2.89 0.66 4.15 1.01 -1.26 -5.07 121.20 119.39 2zw3 s ILE 71 Ca -0.12 -2.16 -0.17 0.00 0.00 0.00 0.00 60.65 58.20 2zw3 s ILE 71 Cb 0.01 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 2zw3 s ILE 71 CO 0.38 -0.65 0.74 -1.54 0.00 0.00 0.00 174.94 173.87 2zw3 n SER 72 N 4.46 -0.28 -0.23 3.58 3.41 -1.26 -4.60 113.62 118.71 2zw3 n SER 72 Ca 0.00 0.69 0.03 0.00 -0.26 0.00 0.00 58.87 59.33 2zw3 n SER 72 Cb 0.42 -1.30 0.14 0.00 -0.26 0.00 0.00 64.21 63.21 2zw3 n SER 72 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2zw3 h HIS 73 N -0.02 0.06 0.00 7.33 -0.00 -1.98 -1.47 115.15 119.07 2zw3 h HIS 73 Ca -0.47 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 59.95 2zw3 h HIS 73 Cb 1.36 0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.85 2zw3 h HIS 73 CO 0.36 -0.15 0.00 1.51 -0.00 0.00 0.00 177.93 179.64 2zw3 n ILE 74 N -5.25 0.82 0.30 2.45 0.13 -1.26 -0.40 119.36 116.14 2zw3 n ILE 74 Ca 0.12 0.23 0.11 0.00 -1.10 0.00 0.00 62.75 62.12 2zw3 n ILE 74 Cb 0.41 -1.18 0.01 0.00 -0.84 0.00 0.00 39.64 38.05 2zw3 n ILE 74 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2zw3 n ARG 75 N -2.29 0.47 0.03 9.51 1.74 -0.60 -2.57 116.66 122.95 2zw3 n ARG 75 Ca 0.02 0.04 -0.02 0.00 -0.77 0.00 0.00 57.85 57.12 2zw3 n ARG 75 Cb 0.23 -1.70 -0.01 0.00 -1.02 0.00 0.00 32.46 29.96 2zw3 n ARG 75 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2zw3 h LEU 76 N 0.00 -0.10 -0.73 0.55 3.38 -0.70 -1.97 115.31 115.74 2zw3 h LEU 76 Ca 0.00 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.25 2zw3 h LEU 76 Cb 0.88 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.53 2zw3 h LEU 76 CO 0.00 0.13 0.28 0.79 0.09 0.00 0.00 178.44 179.73 2zw3 n TRP 77 N -3.46 0.73 0.18 1.13 5.03 0.46 0.23 117.44 121.75 2zw3 n TRP 77 Ca -0.01 0.86 -0.14 0.00 3.03 0.00 0.00 57.50 61.24 2zw3 n TRP 77 Cb 0.05 -1.21 -0.08 0.00 -1.03 0.00 0.00 31.31 29.04 2zw3 n TRP 77 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2zw3 h ALA 78 N 1.45 -0.48 -0.90 6.99 0.00 -1.55 -2.13 119.26 122.65 2zw3 h ALA 78 Ca 0.56 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.42 2zw3 h ALA 78 Cb 1.41 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 19.30 2zw3 h ALA 78 CO -0.60 -0.62 0.52 -0.07 0.00 0.00 0.00 179.25 178.48 2zw3 h LEU 79 N -0.77 0.71 0.29 0.00 3.38 0.59 0.40 115.31 119.91 2zw3 h LEU 79 Ca -0.05 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2zw3 h LEU 79 Cb 0.51 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2zw3 h LEU 79 CO 0.08 0.35 -0.39 -0.61 0.09 0.00 0.00 178.44 177.97 2zw3 h GLN 80 N 0.79 -0.67 -0.13 1.13 4.15 -0.66 0.15 115.11 119.87 2zw3 h GLN 80 Ca 0.46 0.05 0.04 0.00 0.77 0.00 0.00 58.65 59.97 2zw3 h GLN 80 Cb 0.54 0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.38 2zw3 h GLN 80 CO -0.30 -0.45 0.16 -0.07 -1.93 0.00 0.00 178.83 176.24 2zw3 h LEU 81 N -0.70 0.00 0.16 -2.39 -0.00 -0.62 -0.81 115.31 110.95 2zw3 h LEU 81 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 2zw3 h LEU 81 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.29 2zw3 h LEU 81 CO -0.10 0.00 -0.08 0.40 -0.00 0.00 0.00 178.44 178.66 2zw3 h ILE 82 N 0.00 0.69 0.26 1.22 2.04 0.09 -2.25 117.51 119.56 2zw3 h ILE 82 Ca 0.06 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 2zw3 h ILE 82 Cb 0.38 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2zw3 h ILE 82 CO -0.00 0.19 -0.12 -0.26 0.00 0.00 0.00 178.15 177.96 2zw3 h PHE 83 N -0.93 -0.32 0.00 1.37 -1.00 -0.05 -0.83 116.94 115.18 2zw3 h PHE 83 Ca -0.02 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.75 2zw3 h PHE 83 Cb 0.48 0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.15 2zw3 h PHE 83 CO 0.08 -0.17 0.00 0.28 -1.61 0.00 0.00 178.31 176.89 2zw3 h VAL 84 N -0.38 0.00 0.03 -0.55 2.07 -1.35 0.16 116.25 116.23 2zw3 h VAL 84 Ca -0.04 -0.10 -0.22 0.00 0.82 0.00 0.00 66.70 67.17 2zw3 h VAL 84 Cb 0.29 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2zw3 h VAL 84 CO 0.06 0.00 -1.00 -1.28 0.02 0.00 0.00 177.57 175.37 2zw3 h SER 85 N 0.00 0.20 0.24 0.57 0.87 -0.70 -3.39 113.55 111.34 2zw3 h SER 85 Ca 0.00 -0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 60.37 2zw3 h SER 85 Cb 0.14 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 2zw3 h SER 85 CO 0.00 1.08 -0.18 0.74 -0.53 0.00 0.00 176.83 177.94 2zw3 h THR 86 N 0.06 0.62 -0.68 2.23 2.02 0.43 -2.45 112.91 115.14 2zw3 h THR 86 Ca -0.05 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.21 2zw3 h THR 86 Cb 1.70 0.62 -0.06 0.00 -1.74 0.00 0.00 68.15 68.67 2zw3 h THR 86 CO 0.15 0.00 0.35 -0.65 0.37 0.00 0.00 175.52 175.74 2zw3 h PRO 87 N -0.42 0.60 -0.72 6.66 0.11 -1.77 0.45 132.00 136.91 2zw3 h PRO 87 Ca -0.02 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 66.17 2zw3 h PRO 87 Cb 0.37 -0.14 -0.08 0.00 0.11 0.00 0.00 31.00 31.26 2zw3 h PRO 87 CO 0.00 0.40 0.32 0.00 -0.21 0.00 0.00 178.00 178.51 2zw3 h ALA 88 N 1.39 0.99 0.00 -0.75 0.00 -1.71 -1.39 119.26 117.80 2zw3 h ALA 88 Ca 0.32 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2zw3 h ALA 88 Cb 0.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2zw3 h ALA 88 CO -0.23 -0.13 -1.05 1.28 0.00 0.00 0.00 179.25 179.12 2zw3 n LEU 89 N -4.93 0.61 -0.01 0.00 4.77 -0.91 -2.77 117.00 113.77 2zw3 n LEU 89 Ca 0.12 0.06 -0.18 0.00 -0.03 0.00 0.00 56.01 55.98 2zw3 n LEU 89 Cb 0.33 -0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.24 2zw3 n LEU 89 CO 0.22 -0.00 0.25 0.25 -1.33 0.00 0.00 177.39 176.78 2zw3 h LEU 90 N 0.00 0.78 0.72 2.23 7.12 0.15 -2.11 115.31 124.20 2zw3 h LEU 90 Ca 0.00 -0.68 -0.04 0.00 0.13 0.00 0.00 57.88 57.30 2zw3 h LEU 90 Cb 0.79 -0.23 0.01 0.00 -0.53 0.00 0.00 40.66 40.69 2zw3 h LEU 90 CO 0.00 1.34 -0.35 0.58 -0.13 0.00 0.00 178.44 179.88 2zw3 h VAL 91 N 0.29 0.04 -0.91 1.05 2.07 -1.39 0.26 116.25 117.65 2zw3 h VAL 91 Ca -0.07 -0.28 0.26 0.00 0.82 0.00 0.00 66.70 67.43 2zw3 h VAL 91 Cb 1.38 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 2zw3 h VAL 91 CO 0.15 0.00 0.77 0.00 0.02 0.00 0.00 177.57 178.52 2zw3 h ALA 92 N -1.21 2.77 0.19 1.67 0.00 -1.64 0.80 119.26 121.85 2zw3 h ALA 92 Ca -0.10 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.47 2zw3 h ALA 92 Cb 0.75 0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.63 2zw3 h ALA 92 CO 0.16 -1.24 -1.42 1.98 0.00 0.00 0.00 179.25 178.73 2zw3 h MET 93 N 0.00 0.41 -0.01 0.00 -1.53 -1.13 -2.83 114.93 109.84 2zw3 h MET 93 Ca 0.43 -0.70 -0.05 0.00 -3.44 0.00 0.00 59.70 55.94 2zw3 h MET 93 Cb 1.97 0.26 -0.01 0.00 -0.55 0.00 0.00 31.60 33.28 2zw3 h MET 93 CO -0.00 1.33 -0.22 1.25 0.14 0.00 0.00 176.91 179.40 2zw3 h HIS 94 N 0.11 0.01 0.03 1.39 6.17 0.40 -2.89 115.15 120.38 2zw3 h HIS 94 Ca -0.22 -0.00 -0.00 0.00 0.71 0.00 0.00 60.37 60.86 2zw3 h HIS 94 Cb 2.08 -0.00 0.00 0.00 2.52 0.00 0.00 27.41 32.01 2zw3 h HIS 94 CO 0.10 0.24 -0.02 -0.24 0.71 0.00 0.00 177.93 178.72 2zw3 h VAL 95 N 0.01 0.00 0.00 5.26 3.04 -0.67 -2.61 116.25 121.29 2zw3 h VAL 95 Ca 0.00 -0.71 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 2zw3 h VAL 95 Cb 0.40 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 29.68 2zw3 h VAL 95 CO 0.03 0.00 0.08 0.00 -1.01 0.00 0.00 177.57 176.67 2zw3 h ALA 96 N -1.27 1.06 0.00 3.17 0.00 -1.59 0.21 119.26 120.83 2zw3 h ALA 96 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2zw3 h ALA 96 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2zw3 h ALA 96 CO 0.01 -0.06 -0.25 -0.92 0.00 0.00 0.00 179.25 178.02 2zw3 h TYR 97 N 0.00 0.00 -0.48 0.00 3.20 -1.64 -3.28 116.97 114.77 2zw3 h TYR 97 Ca 0.00 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.89 2zw3 h TYR 97 Cb 0.17 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 2zw3 h TYR 97 CO 0.00 0.00 0.32 0.00 -1.64 0.00 0.00 178.16 176.84 2zw3 h ARG 98 N -0.66 0.54 -0.09 1.82 3.08 -1.04 0.11 114.38 118.14 2zw3 h ARG 98 Ca 0.00 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.87 2zw3 h ARG 98 Cb 0.25 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.19 2zw3 h ARG 98 CO 0.00 0.36 -0.53 -0.09 -1.07 0.00 0.00 179.97 178.64 2zw3 h ARG 99 N 0.56 0.52 -0.25 0.04 2.43 -0.83 -1.84 114.38 115.01 2zw3 h ARG 99 Ca 0.19 -0.44 -0.07 0.00 -0.81 0.00 0.00 59.98 58.85 2zw3 h ARG 99 Cb 0.06 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2zw3 h ARG 99 CO -0.05 1.07 -0.14 1.25 -1.51 0.00 0.00 179.97 180.59 2zw3 h HIS 100 N 0.11 0.45 0.11 2.20 2.76 -1.55 -2.89 115.15 116.35 2zw3 h HIS 100 Ca -0.04 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.06 2zw3 h HIS 100 Cb 1.18 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.02 2zw3 h HIS 100 CO 0.12 0.54 -0.05 1.49 -1.30 0.00 0.00 177.93 178.73 2zw3 h GLU 101 N 0.39 -0.15 -0.99 5.26 4.57 -0.74 -2.99 114.58 119.93 2zw3 h GLU 101 Ca 0.07 0.01 0.23 0.00 -1.18 0.00 0.00 59.36 58.49 2zw3 h GLU 101 Cb 0.48 0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 29.01 2zw3 h GLU 101 CO 0.03 -0.10 0.63 0.87 -1.18 0.00 0.00 179.01 179.26 2zw3 h LYS 102 N -0.25 0.51 0.67 1.92 1.57 -1.45 -2.59 116.57 116.94 2zw3 h LYS 102 Ca -0.02 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2zw3 h LYS 102 Cb 0.12 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.32 2zw3 h LYS 102 CO 0.03 0.34 -0.32 -0.22 -0.57 0.00 0.00 179.45 178.70 2zw3 h LYS 103 N 0.52 -0.86 0.00 3.15 3.64 -1.62 -2.96 116.57 118.44 2zw3 h LYS 103 Ca 0.56 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 60.00 2zw3 h LYS 103 Cb 1.22 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 2zw3 h LYS 103 CO -0.30 -0.57 0.00 -2.13 -2.27 0.00 0.00 179.45 174.17 2zw3 n ARG 104 N -5.05 0.82 -0.05 1.90 0.63 -1.12 -2.57 116.66 111.22 2zw3 n ARG 104 Ca -0.11 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.79 2zw3 n ARG 104 Cb 0.35 -1.29 -0.12 0.00 0.45 0.00 0.00 32.46 31.85 2zw3 n ARG 104 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2zw3 n LYS 105 N -0.79 1.29 -0.25 -0.14 5.02 -0.99 -4.54 118.16 117.75 2zw3 n LYS 105 Ca 0.11 -0.05 0.06 0.00 -2.02 0.00 0.00 58.31 56.42 2zw3 n LYS 105 Cb 0.05 -1.38 0.18 0.00 -0.02 0.00 0.00 35.03 33.86 2zw3 n LYS 105 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2zw3 n PHE 106 N -2.40 0.58 -0.01 2.13 3.72 -1.12 -3.38 117.46 116.97 2zw3 n PHE 106 Ca -0.18 -0.65 -0.15 0.00 -0.05 0.00 0.00 57.45 56.43 2zw3 n PHE 106 Cb 0.82 -0.13 -0.14 0.00 -0.94 0.00 0.00 39.48 39.08 2zw3 n PHE 106 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 2zw3 n ILE 107 N 0.00 1.68 -0.09 4.37 3.06 -1.06 -4.58 119.36 122.75 2zw3 n ILE 107 Ca 0.14 -0.73 -0.14 0.00 -2.50 0.00 0.00 62.75 59.52 2zw3 n ILE 107 Cb 0.58 -1.34 -0.08 0.00 0.54 0.00 0.00 39.64 39.34 2zw3 n ILE 107 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 2zw3 n LYS 108 N -3.24 0.45 0.00 9.51 5.02 -1.26 -5.13 118.16 123.50 2zw3 n LYS 108 Ca -0.25 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 2zw3 n LYS 108 Cb 1.05 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.73 2zw3 n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2zw3 n GLY 109 N 2.47 1.29 0.00 0.72 0.00 -1.22 -5.16 105.19 103.30 2zw3 n GLY 109 Ca -0.33 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2zw3 n GLY 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2zw3 n LYS 125 N 0.00 0.64 0.20 1.61 5.02 -1.26 -4.65 118.16 119.71 2zw3 n LYS 125 Ca 0.00 -0.73 0.11 0.00 -2.02 0.00 0.00 58.31 55.67 2zw3 n LYS 125 Cb 0.00 -0.82 0.14 0.00 -0.02 0.00 0.00 35.03 34.33 2zw3 n LYS 125 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2zw3 h VAL 126 N 0.72 0.05 -0.00 -0.18 2.07 -2.03 -3.11 116.25 113.77 2zw3 h VAL 126 Ca 0.00 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.44 2zw3 h VAL 126 Cb 0.43 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2zw3 h VAL 126 CO 0.00 0.03 -0.84 -1.14 0.02 0.00 0.00 177.57 175.64 2zw3 n ARG 127 N -3.05 1.03 0.10 1.57 3.00 -1.26 -2.17 116.66 115.88 2zw3 n ARG 127 Ca 0.03 -0.03 -0.15 0.00 -0.00 0.00 0.00 57.85 57.71 2zw3 n ARG 127 Cb 0.55 -1.35 -0.11 0.00 0.00 0.00 0.00 32.46 31.54 2zw3 n ARG 127 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 2zw3 h ILE 128 N 0.06 1.48 0.00 5.15 2.10 -1.98 -0.93 117.51 123.39 2zw3 h ILE 128 Ca 0.00 -2.92 -0.02 0.00 1.08 0.00 0.00 64.86 63.01 2zw3 h ILE 128 Cb 0.43 2.81 -0.00 0.00 -1.09 0.00 0.00 36.82 38.97 2zw3 h ILE 128 CO 0.00 0.85 -1.04 -0.08 -1.08 0.00 0.00 178.15 176.80 2zw3 h GLU 129 N 0.11 0.00 0.00 2.19 4.81 -1.71 -3.25 114.58 116.73 2zw3 h GLU 129 Ca -0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2zw3 h GLU 129 Cb 1.86 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.24 2zw3 h GLU 129 CO 0.19 0.03 0.00 0.41 -0.73 0.00 0.00 179.01 178.91 2zw3 n GLY 130 N 1.20 0.19 0.13 1.92 0.00 -0.92 -3.40 105.19 104.31 2zw3 n GLY 130 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 2zw3 n GLY 130 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2zw3 h SER 131 N 0.00 -0.10 0.15 1.61 0.02 -1.39 -2.30 113.55 111.53 2zw3 h SER 131 Ca 0.00 0.06 -0.30 0.00 -0.84 0.00 0.00 61.79 60.71 2zw3 h SER 131 Cb 0.00 0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2zw3 h SER 131 CO 0.00 -0.02 -1.50 0.25 -1.14 0.00 0.00 176.83 174.42 2zw3 h LEU 132 N 0.08 0.48 -0.68 5.07 7.12 -1.67 -2.34 115.31 123.37 2zw3 h LEU 132 Ca 0.13 -0.89 0.00 0.00 0.13 0.00 0.00 57.88 57.25 2zw3 h LEU 132 Cb 0.17 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.14 2zw3 h LEU 132 CO -0.22 1.67 0.00 0.79 -0.13 0.00 0.00 178.44 180.56 2zw3 n TRP 133 N -3.81 0.72 -0.02 1.25 5.03 -1.22 -1.59 117.44 117.80 2zw3 n TRP 133 Ca -0.24 0.29 -0.21 0.00 3.03 0.00 0.00 57.50 60.37 2zw3 n TRP 133 Cb 0.96 -0.97 -0.13 0.00 -1.03 0.00 0.00 31.31 30.14 2zw3 n TRP 133 CO 0.00 0.00 0.00 2.35 -0.03 0.00 0.00 177.69 180.01 2zw3 h TRP 134 N 0.00 0.33 -0.21 -5.99 -0.00 -1.44 -3.14 115.95 105.50 2zw3 h TRP 134 Ca 0.00 -0.24 -0.09 0.00 -0.00 0.00 0.00 58.89 58.56 2zw3 h TRP 134 Cb 0.32 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.16 29.46 2zw3 h TRP 134 CO 0.00 1.50 -0.25 1.79 -0.00 0.00 0.00 178.44 181.48 2zw3 h THR 135 N -0.47 1.26 -0.63 2.65 1.35 -1.30 -2.23 112.91 113.54 2zw3 h THR 135 Ca -0.29 -1.22 -0.00 0.00 -0.55 0.00 0.00 66.41 64.35 2zw3 h THR 135 Cb 1.63 1.37 -0.03 0.00 -1.73 0.00 0.00 68.15 69.39 2zw3 h THR 135 CO 0.01 0.38 0.38 0.22 -0.25 0.00 0.00 175.52 176.26 2zw3 h TYR 136 N 0.36 0.82 -0.49 4.73 3.20 -1.46 0.39 116.97 124.52 2zw3 h TYR 136 Ca 0.05 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.81 2zw3 h TYR 136 Cb 0.63 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 2zw3 h TYR 136 CO 0.02 0.55 -0.15 0.00 -1.64 0.00 0.00 178.16 176.93 2zw3 h THR 137 N 0.86 1.27 0.00 1.81 1.03 -1.36 -1.35 112.91 115.18 2zw3 h THR 137 Ca 0.23 -1.30 -0.09 0.00 -0.01 0.00 0.00 66.41 65.24 2zw3 h THR 137 Cb -0.04 1.09 -0.01 0.00 -1.07 0.00 0.00 68.15 68.12 2zw3 h THR 137 CO -0.04 0.45 -0.41 0.28 -0.01 0.00 0.00 175.52 175.78 2zw3 h SER 138 N 0.82 0.00 0.89 0.00 0.02 -1.08 -2.43 113.55 111.76 2zw3 h SER 138 Ca 0.12 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 2zw3 h SER 138 Cb 0.72 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.26 2zw3 h SER 138 CO 0.05 0.41 -0.43 -1.28 -1.14 0.00 0.00 176.83 174.45 2zw3 h SER 139 N 0.00 -1.01 -1.06 3.07 0.87 -0.03 0.18 113.55 115.57 2zw3 h SER 139 Ca -0.00 0.03 0.28 0.00 -1.23 0.00 0.00 61.79 60.87 2zw3 h SER 139 Cb 1.01 0.26 -0.09 0.00 -0.44 0.00 0.00 62.40 63.14 2zw3 h SER 139 CO 0.05 -0.68 0.70 0.40 -0.53 0.00 0.00 176.83 176.77 2zw3 h ILE 140 N -1.27 0.50 -0.16 2.23 2.04 -1.16 1.01 117.51 120.69 2zw3 h ILE 140 Ca -0.12 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 2zw3 h ILE 140 Cb 0.92 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2zw3 h ILE 140 CO 0.20 0.06 0.01 0.15 0.00 0.00 0.00 178.15 178.57 2zw3 h PHE 141 N 0.31 0.30 -0.35 1.37 3.57 -1.21 -2.82 116.94 118.11 2zw3 h PHE 141 Ca 0.59 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 62.07 2zw3 h PHE 141 Cb 1.66 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 40.29 2zw3 h PHE 141 CO -0.00 0.47 0.18 0.74 -2.23 0.00 0.00 178.31 177.46 2zw3 h PHE 142 N 0.04 0.32 -0.25 0.41 0.04 0.38 -0.56 116.94 117.33 2zw3 h PHE 142 Ca 0.05 0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.89 2zw3 h PHE 142 Cb 0.34 -0.10 -0.07 0.00 2.20 0.00 0.00 35.95 38.32 2zw3 h PHE 142 CO 0.03 0.17 -0.28 0.00 -0.60 0.00 0.00 178.31 177.63 2zw3 h ARG 143 N 0.36 -0.28 0.00 1.51 3.08 0.15 0.04 114.38 119.25 2zw3 h ARG 143 Ca 0.15 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2zw3 h ARG 143 Cb 0.06 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2zw3 h ARG 143 CO -0.10 -0.19 0.00 0.28 -1.07 0.00 0.00 179.97 178.89 2zw3 h VAL 144 N -0.29 0.00 -0.08 2.04 2.07 -1.36 0.87 116.25 119.50 2zw3 h VAL 144 Ca 0.13 -0.45 -0.19 0.00 0.82 0.00 0.00 66.70 67.01 2zw3 h VAL 144 Cb 0.50 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2zw3 h VAL 144 CO -0.41 0.00 -0.74 -0.29 0.02 0.00 0.00 177.57 176.14 2zw3 h ILE 145 N 0.00 1.37 0.00 4.57 2.10 0.52 -3.04 117.51 123.03 2zw3 h ILE 145 Ca 0.00 -2.14 -0.00 0.00 1.08 0.00 0.00 64.86 63.80 2zw3 h ILE 145 Cb 0.59 2.11 -0.00 0.00 -1.09 0.00 0.00 36.82 38.44 2zw3 h ILE 145 CO 0.00 0.65 -0.04 -0.26 -1.08 0.00 0.00 178.15 177.42 2zw3 h PHE 146 N 0.30 0.00 -0.95 2.19 0.05 -0.61 -0.93 116.94 116.99 2zw3 h PHE 146 Ca -0.03 0.00 0.28 0.00 3.82 0.00 0.00 57.97 62.03 2zw3 h PHE 146 Cb 1.33 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 39.24 2zw3 h PHE 146 CO 0.05 0.19 1.06 0.93 -0.18 0.00 0.00 178.31 180.36 2zw3 h GLU 147 N -1.00 0.00 0.00 1.51 4.39 -1.00 0.37 114.58 118.86 2zw3 h GLU 147 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2zw3 h GLU 147 Cb 0.21 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2zw3 h GLU 147 CO -0.00 0.00 -1.69 0.00 -1.16 0.00 0.00 179.01 176.15 2zw3 n ALA 148 N -2.31 2.55 -0.10 3.43 0.00 -1.15 -3.24 120.51 119.70 2zw3 n ALA 148 Ca 0.21 -0.37 -0.07 0.00 0.00 0.00 0.00 53.44 53.22 2zw3 n ALA 148 Cb 1.36 -0.51 0.11 0.00 0.00 0.00 0.00 19.45 20.41 2zw3 n ALA 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2zw3 h ALA 149 N 1.37 0.95 0.00 0.00 0.00 0.12 -2.45 119.26 119.26 2zw3 h ALA 149 Ca -0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 2zw3 h ALA 149 Cb 0.70 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2zw3 h ALA 149 CO 0.00 0.61 -0.61 0.74 0.00 0.00 0.00 179.25 180.00 2zw3 h PHE 150 N 0.70 0.00 -1.22 0.00 -1.00 -1.55 -3.07 116.94 110.80 2zw3 h PHE 150 Ca 0.11 0.00 0.41 0.00 2.81 0.00 0.00 57.97 61.30 2zw3 h PHE 150 Cb 0.63 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 40.09 2zw3 h PHE 150 CO 0.03 0.78 0.81 -0.12 -1.61 0.00 0.00 178.31 178.20 2zw3 n MET 151 N -4.57 -0.02 0.22 1.51 0.00 -1.20 -0.22 117.12 112.84 2zw3 n MET 151 Ca -0.16 1.00 -0.09 0.00 -0.00 0.00 0.00 57.70 58.45 2zw3 n MET 151 Cb 0.43 -2.03 -0.04 0.00 0.00 0.00 0.00 33.22 31.57 2zw3 n MET 151 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 2zw3 h TYR 152 N 0.00 -0.56 -0.12 1.12 3.20 -1.51 -3.18 116.97 115.93 2zw3 h TYR 152 Ca 0.73 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.63 2zw3 h TYR 152 Cb 2.47 0.18 -0.07 0.00 1.54 0.00 0.00 36.73 40.86 2zw3 h TYR 152 CO -0.00 -0.35 -0.43 0.28 -1.64 0.00 0.00 178.16 176.02 2zw3 h VAL 153 N -0.89 0.13 0.00 1.81 2.07 -0.50 0.52 116.25 119.39 2zw3 h VAL 153 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2zw3 h VAL 153 Cb 0.46 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2zw3 h VAL 153 CO 0.10 0.00 0.44 0.49 0.02 0.00 0.00 177.57 178.62 2zw3 n PHE 154 N -5.44 0.14 -0.02 1.57 3.01 0.69 0.11 117.46 117.51 2zw3 n PHE 154 Ca -0.04 0.07 -0.02 0.00 1.01 0.00 0.00 57.45 58.47 2zw3 n PHE 154 Cb 0.36 -0.27 -0.04 0.00 -0.01 0.00 0.00 39.48 39.52 2zw3 n PHE 154 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 2zw3 n TYR 155 N -1.59 0.00 -0.07 1.38 9.36 -0.57 -4.52 117.16 121.15 2zw3 n TYR 155 Ca -0.00 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 61.00 2zw3 n TYR 155 Cb 0.45 -0.23 -0.12 0.00 -0.63 0.00 0.00 39.34 38.80 2zw3 n TYR 155 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2zw3 n VAL 156 N -2.15 1.62 -0.23 2.97 0.31 0.25 -4.32 118.33 116.78 2zw3 n VAL 156 Ca -0.08 -0.47 -0.03 0.00 -0.01 0.00 0.00 64.34 63.76 2zw3 n VAL 156 Cb 0.62 -1.73 0.16 0.00 -0.91 0.00 0.00 33.84 31.98 2zw3 n VAL 156 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 2zw3 h MET 157 N -0.31 1.04 -2.42 5.55 1.85 0.52 -3.38 114.93 117.78 2zw3 h MET 157 Ca -0.49 -0.14 -0.71 0.00 -0.61 0.00 0.00 59.70 57.74 2zw3 h MET 157 Cb 1.80 -0.19 -0.34 0.00 0.43 0.00 0.00 31.60 33.30 2zw3 h MET 157 CO -0.09 0.81 0.24 0.66 -0.40 0.00 0.00 176.91 178.12 2zw3 n TYR 158 N -4.33 3.12 -4.08 1.39 4.02 -1.25 -4.95 117.16 111.09 2zw3 n TYR 158 Ca 0.07 -3.24 -0.41 0.00 -0.01 0.00 0.00 57.90 54.31 2zw3 n TYR 158 Cb 0.14 -0.91 0.00 0.00 -0.02 0.00 0.00 39.34 38.55 2zw3 n TYR 158 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2zw3 n ASP 159 N 0.44 -3.06 0.00 7.72 8.00 -1.26 -4.36 116.55 124.03 2zw3 n ASP 159 Ca 0.34 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.65 2zw3 n ASP 159 Cb 0.34 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.01 2zw3 n ASP 159 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2zw3 n GLY 160 N -2.06 -1.14 0.75 0.44 0.00 -1.26 -4.59 105.19 97.33 2zw3 n GLY 160 Ca -0.13 -1.70 0.10 0.00 0.00 0.00 0.00 46.02 44.29 2zw3 n GLY 160 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2zw3 n PHE 161 N 0.00 0.00 -2.76 1.61 1.16 -1.26 -4.74 117.46 111.47 2zw3 n PHE 161 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2zw3 n PHE 161 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 2zw3 n PHE 161 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 2zw3 n SER 162 N 0.89 0.00 -4.06 5.98 3.41 -1.26 -4.87 113.62 113.70 2zw3 n SER 162 Ca 0.11 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.53 2zw3 n SER 162 Cb 0.51 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.31 2zw3 n SER 162 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2zw3 s MET 163 N 1.00 0.86 0.81 4.33 0.23 -1.26 -4.80 119.30 120.46 2zw3 s MET 163 Ca 0.00 -0.43 -0.12 0.00 -1.03 0.00 0.00 55.69 54.11 2zw3 s MET 163 Cb 0.00 -0.83 0.08 0.00 -1.53 0.00 0.00 34.83 32.55 2zw3 s MET 163 CO 0.00 0.22 1.14 -0.65 -2.03 0.00 0.00 175.02 173.71 2zw3 s GLN 164 N -0.38 1.98 0.11 3.16 -0.21 -1.26 -4.73 119.66 118.33 2zw3 s GLN 164 Ca 0.03 0.29 -0.14 0.00 0.02 0.00 0.00 55.36 55.56 2zw3 s GLN 164 Cb -0.05 -1.94 -0.09 0.00 1.00 0.00 0.00 33.01 31.94 2zw3 s GLN 164 CO -0.00 -1.62 1.41 0.00 -2.12 0.00 0.00 175.29 172.96 2zw3 h ARG 165 N -1.08 0.75 -6.07 2.91 3.08 -1.96 -3.44 114.38 108.59 2zw3 h ARG 165 Ca -0.47 -0.43 -0.54 0.00 0.07 0.00 0.00 59.98 58.61 2zw3 h ARG 165 Cb 1.31 0.03 -0.21 0.00 0.08 0.00 0.00 29.97 31.18 2zw3 h ARG 165 CO 0.64 1.06 -0.82 -0.48 -1.07 0.00 0.00 179.97 179.30 2zw3 s LEU 166 N -8.87 2.32 0.10 3.04 2.34 -1.26 -1.68 118.68 114.67 2zw3 s LEU 166 Ca -0.12 -0.71 0.10 0.00 0.06 0.00 0.00 54.13 53.46 2zw3 s LEU 166 Cb 0.09 -0.85 -0.04 0.00 -0.56 0.00 0.00 46.19 44.84 2zw3 s LEU 166 CO 0.85 0.03 -0.27 0.54 -1.06 0.00 0.00 176.35 176.44 2zw3 s VAL 167 N -1.33 2.20 -0.56 1.48 0.11 -0.41 -4.97 120.40 116.92 2zw3 s VAL 167 Ca 0.07 -1.64 -0.18 0.00 -2.93 0.00 0.00 61.98 57.30 2zw3 s VAL 167 Cb -0.09 -1.93 0.10 0.00 -1.53 0.00 0.00 36.38 32.93 2zw3 s VAL 167 CO 0.04 0.17 0.64 -0.54 -3.33 0.00 0.00 175.10 172.08 2zw3 s LYS 168 N -1.80 3.04 -0.22 1.54 3.01 -1.26 -1.27 119.74 122.77 2zw3 s LYS 168 Ca 0.13 -1.35 -0.08 0.00 -1.01 0.00 0.00 55.97 53.66 2zw3 s LYS 168 Cb -0.10 -4.25 -0.04 0.00 -1.01 0.00 0.00 37.83 32.43 2zw3 s LYS 168 CO 0.05 -1.43 0.09 0.00 0.51 0.00 0.00 175.35 174.56 2zw3 n ASN 170 N 4.18 5.58 -4.46 0.00 4.05 -1.26 -3.21 115.26 120.13 2zw3 n ASN 170 Ca -0.16 -2.93 -0.44 0.00 0.45 0.00 0.00 54.58 51.51 2zw3 n ASN 170 Cb 0.52 -0.69 -0.01 0.00 1.23 0.00 0.00 39.78 40.84 2zw3 n ASN 170 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2zw3 n ALA 171 N 0.57 -1.62 -0.27 5.20 0.00 -1.26 -4.82 120.51 118.31 2zw3 n ALA 171 Ca 0.28 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2zw3 n ALA 171 Cb 1.19 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.87 2zw3 n ALA 171 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 2zw3 n TRP 172 N -0.45 0.00 1.05 0.00 -0.00 -1.26 -2.48 117.44 114.30 2zw3 n TRP 172 Ca 0.12 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.64 2zw3 n TRP 172 Cb 0.35 -0.24 0.08 0.00 -0.00 0.00 0.00 31.31 31.49 2zw3 n TRP 172 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2zw3 n PRO 173 N -2.08 1.59 -2.72 5.87 -0.04 -1.26 -4.72 135.00 131.64 2zw3 n PRO 173 Ca 0.00 -0.61 -0.34 0.00 -0.04 0.00 0.00 63.50 62.51 2zw3 n PRO 173 Cb 0.00 -1.40 -0.06 0.00 -0.04 0.00 0.00 33.50 32.01 2zw3 n PRO 173 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2zw3 s PRO 175 N -3.09 3.67 3.61 0.00 0.02 -1.26 -4.87 135.00 133.08 2zw3 s PRO 175 Ca 0.63 1.14 0.00 0.00 0.02 0.00 0.00 61.00 62.78 2zw3 s PRO 175 Cb -0.12 -4.00 0.00 0.00 0.02 0.00 0.00 34.50 30.40 2zw3 s PRO 175 CO 0.16 -1.44 0.00 0.09 -0.33 0.00 0.00 177.00 175.49 2zw3 n ASN 176 N 8.56 0.00 -4.56 2.53 3.02 -1.26 -4.31 115.26 119.24 2zw3 n ASN 176 Ca 0.17 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.32 2zw3 n ASN 176 Cb 0.47 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.54 2zw3 n ASN 176 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2zw3 s THR 177 N 0.00 5.21 0.26 3.41 2.01 -1.26 -4.77 115.64 120.49 2zw3 s THR 177 Ca 0.00 0.14 0.09 0.00 0.31 0.00 0.00 61.69 62.23 2zw3 s THR 177 Cb 0.00 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 2zw3 s THR 177 CO 0.00 0.03 0.06 0.68 -0.69 0.00 0.00 174.62 174.69 2zw3 s VAL 178 N 1.95 3.76 0.35 3.82 -7.23 -1.20 -4.97 120.40 116.88 2zw3 s VAL 178 Ca 0.11 -1.73 -0.03 0.00 -1.81 0.00 0.00 61.98 58.51 2zw3 s VAL 178 Cb -0.16 -3.01 -0.04 0.00 0.56 0.00 0.00 36.38 33.72 2zw3 s VAL 178 CO 0.11 -0.35 0.60 -1.81 -0.31 0.00 0.00 175.10 173.34 2zw3 s ASP 179 N -3.68 6.36 0.17 4.85 1.11 -1.26 -1.48 116.67 122.73 2zw3 s ASP 179 Ca 0.32 0.66 -0.11 0.00 0.18 0.00 0.00 52.55 53.60 2zw3 s ASP 179 Cb -0.07 -2.12 0.00 0.00 1.07 0.00 0.00 42.92 41.80 2zw3 s ASP 179 CO 0.21 -0.31 0.35 0.00 1.18 0.00 0.00 175.17 176.60 2zw3 s PHE 181 N -3.94 0.31 0.66 0.00 0.40 0.12 -1.28 117.98 114.25 2zw3 s PHE 181 Ca 0.14 -0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.36 2zw3 s PHE 181 Cb 0.02 -0.20 0.10 0.00 0.51 0.00 0.00 43.02 43.45 2zw3 s PHE 181 CO -0.01 -0.02 0.92 0.08 0.70 0.00 0.00 175.22 176.88 2zw3 s VAL 182 N -0.28 2.25 -0.17 -0.44 1.01 -0.68 -1.42 120.40 120.68 2zw3 s VAL 182 Ca -0.01 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.24 2zw3 s VAL 182 Cb -0.03 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 2zw3 s VAL 182 CO -0.00 0.00 0.03 -0.94 0.00 0.00 0.00 175.10 174.19 2zw3 s SER 183 N -4.66 5.41 -1.63 3.32 1.04 -1.26 -4.65 113.70 111.28 2zw3 s SER 183 Ca 0.64 0.04 -0.05 0.00 0.48 0.00 0.00 55.95 57.05 2zw3 s SER 183 Cb -0.06 -1.89 0.05 0.00 0.10 0.00 0.00 66.02 64.22 2zw3 s SER 183 CO 0.42 0.19 0.14 -2.11 0.98 0.00 0.00 173.24 172.86 2zw3 n ARG 184 N 3.41 -0.89 0.29 4.02 1.85 -1.26 -4.77 116.66 119.31 2zw3 n ARG 184 Ca -0.17 0.10 0.16 0.00 -1.00 0.00 0.00 57.85 56.94 2zw3 n ARG 184 Cb 0.52 -3.84 0.84 0.00 -1.05 0.00 0.00 32.46 28.94 2zw3 n ARG 184 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 177.63 176.27 2zw3 h PRO 185 N -1.58 0.00 0.13 2.89 0.11 -1.86 0.11 132.00 131.79 2zw3 h PRO 185 Ca -0.65 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.46 2zw3 h PRO 185 Cb 1.40 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.51 2zw3 h PRO 185 CO 0.75 0.00 -0.06 1.79 -0.21 0.00 0.00 178.00 180.27 2zw3 h THR 186 N 0.00 0.51 -1.00 -1.15 1.35 -1.86 -2.06 112.91 108.71 2zw3 h THR 186 Ca 0.00 -1.16 0.23 0.00 -0.55 0.00 0.00 66.41 64.94 2zw3 h THR 186 Cb 0.35 0.92 -0.09 0.00 -1.73 0.00 0.00 68.15 67.60 2zw3 h THR 186 CO 0.00 0.15 0.64 -0.08 -0.25 0.00 0.00 175.52 175.98 2zw3 h GLU 187 N -0.99 0.46 -0.45 4.72 4.81 -1.71 0.83 114.58 122.26 2zw3 h GLU 187 Ca -0.02 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.08 2zw3 h GLU 187 Cb 0.39 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2zw3 h GLU 187 CO 0.03 0.31 -0.12 0.87 -0.73 0.00 0.00 179.01 179.36 2zw3 h LYS 188 N 0.48 0.83 0.15 1.92 1.57 -0.90 -2.75 116.57 117.87 2zw3 h LYS 188 Ca 0.56 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 2zw3 h LYS 188 Cb 1.28 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2zw3 h LYS 188 CO -0.29 0.91 -0.07 1.15 -0.57 0.00 0.00 179.45 180.58 2zw3 h THR 189 N 0.74 0.59 -0.37 -0.16 2.02 0.98 -2.47 112.91 114.25 2zw3 h THR 189 Ca 0.12 -1.15 0.05 0.00 0.77 0.00 0.00 66.41 66.20 2zw3 h THR 189 Cb 0.63 1.05 -0.06 0.00 -1.74 0.00 0.00 68.15 68.03 2zw3 h THR 189 CO 0.04 0.17 -0.16 0.52 0.37 0.00 0.00 175.52 176.46 2zw3 n VAL 190 N -4.89 -0.21 0.62 3.16 0.31 0.23 0.35 118.33 117.90 2zw3 n VAL 190 Ca -0.06 0.87 0.12 0.00 -0.01 0.00 0.00 64.34 65.26 2zw3 n VAL 190 Cb 0.22 -1.13 0.46 0.00 -0.91 0.00 0.00 33.84 32.47 2zw3 n VAL 190 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2zw3 n PHE 191 N -4.52 0.51 0.07 3.52 0.99 -1.04 -2.21 117.46 114.77 2zw3 n PHE 191 Ca 0.03 0.17 -0.12 0.00 -0.00 0.00 0.00 57.45 57.53 2zw3 n PHE 191 Cb 0.13 -0.78 -0.13 0.00 -1.00 0.00 0.00 39.48 37.70 2zw3 n PHE 191 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 2zw3 h THR 192 N 0.00 1.42 0.00 4.37 2.02 0.65 -3.03 112.91 118.34 2zw3 h THR 192 Ca 0.00 -3.08 0.00 0.00 0.77 0.00 0.00 66.41 64.10 2zw3 h THR 192 Cb 0.48 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 2zw3 h THR 192 CO 0.00 0.86 0.00 0.52 0.37 0.00 0.00 175.52 177.27 2zw3 n VAL 193 N -3.40 0.00 -0.26 3.16 0.31 0.65 -0.91 118.33 117.87 2zw3 n VAL 193 Ca -0.08 1.48 -0.08 0.00 -0.01 0.00 0.00 64.34 65.64 2zw3 n VAL 193 Cb 1.00 -2.42 -0.04 0.00 -0.91 0.00 0.00 33.84 31.47 2zw3 n VAL 193 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2zw3 h PHE 194 N 0.00 -1.42 0.00 3.52 -1.00 -1.61 1.21 116.94 117.64 2zw3 h PHE 194 Ca 0.00 0.09 -0.01 0.00 2.81 0.00 0.00 57.97 60.87 2zw3 h PHE 194 Cb 0.00 0.72 -0.00 0.00 3.61 0.00 0.00 35.95 40.28 2zw3 h PHE 194 CO 0.10 -0.42 -0.04 0.52 -1.61 0.00 0.00 178.31 176.86 2zw3 h MET 195 N -0.17 0.00 0.00 1.51 2.86 -1.62 0.14 114.93 117.64 2zw3 h MET 195 Ca 0.19 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.55 2zw3 h MET 195 Cb 0.54 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.16 2zw3 h MET 195 CO -0.77 0.04 -1.61 0.97 1.06 0.00 0.00 176.91 176.61 2zw3 h ILE 196 N 0.00 0.89 0.43 -1.22 6.09 0.19 -2.75 117.51 121.15 2zw3 h ILE 196 Ca -0.00 -2.70 -0.02 0.00 -1.37 0.00 0.00 64.86 60.77 2zw3 h ILE 196 Cb 0.22 2.42 0.00 0.00 0.47 0.00 0.00 36.82 39.93 2zw3 h ILE 196 CO 0.01 0.51 -0.21 0.00 -3.07 0.00 0.00 178.15 175.39 2zw3 h ALA 197 N 1.04 -0.58 -0.02 0.18 0.00 0.22 -2.19 119.26 117.91 2zw3 h ALA 197 Ca -0.25 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.49 2zw3 h ALA 197 Cb 1.95 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.96 2zw3 h ALA 197 CO 0.08 -0.61 0.09 0.28 0.00 0.00 0.00 179.25 179.09 2zw3 h VAL 198 N -1.01 0.11 0.00 0.00 2.07 -0.96 0.19 116.25 116.65 2zw3 h VAL 198 Ca -0.06 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 2zw3 h VAL 198 Cb 0.55 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2zw3 h VAL 198 CO 0.10 0.00 -0.29 -1.28 0.02 0.00 0.00 177.57 176.12 2zw3 h SER 199 N 0.00 0.00 0.00 0.57 0.87 -1.22 -2.09 113.55 111.67 2zw3 h SER 199 Ca 0.01 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.45 2zw3 h SER 199 Cb 0.19 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 2zw3 h SER 199 CO -0.00 0.29 -0.67 1.23 -0.53 0.00 0.00 176.83 177.15 2zw3 h GLY 200 N 2.89 0.00 -0.08 5.77 0.00 -0.09 -3.19 103.07 108.38 2zw3 h GLY 200 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 2zw3 h GLY 200 CO 0.04 0.00 -0.38 -2.22 0.00 0.00 0.00 176.54 173.98 2zw3 h ILE 201 N -1.00 0.19 0.00 2.60 2.04 -1.12 0.39 117.51 120.61 2zw3 h ILE 201 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2zw3 h ILE 201 Cb 1.09 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2zw3 h ILE 201 CO -0.11 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.04 2zw3 h ILE 203 N 0.00 1.74 -0.12 0.00 2.04 -0.24 -3.25 117.51 117.68 2zw3 h ILE 203 Ca 0.00 -2.39 -0.00 0.00 1.00 0.00 0.00 64.86 63.47 2zw3 h ILE 203 Cb 0.06 3.36 -0.01 0.00 -0.74 0.00 0.00 36.82 39.49 2zw3 h ILE 203 CO 0.00 0.63 0.06 -0.07 0.00 0.00 0.00 178.15 178.78 2zw3 h LEU 204 N -0.87 0.16 -0.74 1.44 3.38 -0.12 0.20 115.31 118.76 2zw3 h LEU 204 Ca -0.03 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 57.92 2zw3 h LEU 204 Cb 1.14 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 2zw3 h LEU 204 CO 0.03 0.21 0.40 -0.07 0.09 0.00 0.00 178.44 179.10 2zw3 h LEU 205 N 0.09 0.56 -0.85 1.67 3.38 -1.65 0.82 115.31 119.33 2zw3 h LEU 205 Ca 0.04 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2zw3 h LEU 205 Cb 0.09 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2zw3 h LEU 205 CO -0.01 0.33 0.53 0.78 0.09 0.00 0.00 178.44 180.16 2zw3 h ASN 206 N 0.69 1.02 1.32 -0.43 2.35 -1.45 -1.97 115.58 117.10 2zw3 h ASN 206 Ca 0.35 -0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.94 2zw3 h ASN 206 Cb 0.31 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2zw3 h ASN 206 CO -0.24 0.77 -0.49 1.62 -1.65 0.00 0.00 177.43 177.45 2zw3 h VAL 207 N 1.17 0.89 -0.39 2.81 3.04 0.74 -2.12 116.25 122.39 2zw3 h VAL 207 Ca 0.31 -2.09 -0.13 0.00 -1.01 0.00 0.00 66.70 63.78 2zw3 h VAL 207 Cb -0.07 2.32 -0.01 0.00 -2.01 0.00 0.00 31.29 31.52 2zw3 h VAL 207 CO -0.06 0.48 -0.28 0.74 -1.01 0.00 0.00 177.57 177.44 2zw3 h THR 208 N 0.00 1.27 0.00 3.17 2.02 0.80 0.29 112.91 120.46 2zw3 h THR 208 Ca -0.00 -1.42 -0.11 0.00 0.77 0.00 0.00 66.41 65.65 2zw3 h THR 208 Cb 1.28 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 2zw3 h THR 208 CO 0.06 0.48 -0.51 -0.33 0.37 0.00 0.00 175.52 175.59 2zw3 h GLU 209 N 0.71 0.00 0.00 6.66 3.07 -1.28 0.27 114.58 124.01 2zw3 h GLU 209 Ca 0.08 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.90 2zw3 h GLU 209 Cb 0.82 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 2zw3 h GLU 209 CO 0.07 0.51 -0.22 1.25 -1.40 0.00 0.00 179.01 179.21 2zw3 h LEU 210 N 0.00 0.00 -0.01 1.33 5.85 -1.19 -3.09 115.31 118.20 2zw3 h LEU 210 Ca -0.01 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 2zw3 h LEU 210 Cb 1.02 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.06 2zw3 h LEU 210 CO 0.07 0.22 -0.52 0.00 -0.34 0.00 0.00 178.44 177.86 2zw3 h TYR 212 N -0.15 0.00 -0.01 0.00 -1.99 -1.03 0.67 116.97 114.46 2zw3 h TYR 212 Ca -0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.67 2zw3 h TYR 212 Cb 1.23 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.96 2zw3 h TYR 212 CO 0.15 0.10 -0.16 1.28 -0.00 0.00 0.00 178.16 179.52 2zw3 n LEU 213 N -3.44 1.57 -0.01 3.88 4.77 -1.17 -3.57 117.00 119.03 2zw3 n LEU 213 Ca -0.01 -0.50 0.10 0.00 -0.03 0.00 0.00 56.01 55.56 2zw3 n LEU 213 Cb 0.25 -0.05 -0.15 0.00 -2.33 0.00 0.00 43.42 41.14 2zw3 n LEU 213 CO 0.29 0.27 -0.68 0.18 -1.33 0.00 0.00 177.39 176.12 2zw3 n LEU 214 N -0.02 0.07 0.07 2.23 4.77 -0.16 -3.82 117.00 120.13 2zw3 n LEU 214 Ca 0.15 -0.04 -0.06 0.00 -0.03 0.00 0.00 56.01 56.02 2zw3 n LEU 214 Cb 0.40 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 2zw3 n LEU 214 CO 0.21 0.02 0.19 0.40 -1.33 0.00 0.00 177.39 176.88 2zw3 h ILE 215 N 0.00 0.26 -0.21 -0.08 2.04 -1.03 -3.34 117.51 115.16 2zw3 h ILE 215 Ca 0.00 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.93 2zw3 h ILE 215 Cb 0.87 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 2zw3 h ILE 215 CO 0.00 0.08 0.00 -2.11 0.00 0.00 0.00 178.15 176.12 2zw3 n ARG 216 N -4.95 1.81 -0.56 2.37 1.85 -1.23 -5.12 116.66 110.84 2zw3 n ARG 216 Ca -0.05 -1.22 0.00 0.00 -1.00 0.00 0.00 57.85 55.58 2zw3 n ARG 216 Cb 0.17 -1.39 0.00 0.00 -1.05 0.00 0.00 32.46 30.18 2zw3 n ARG 216 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60