#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cw2 s VAL 3 N 0.00 5.28 0.11 -3.33 1.01 -1.26 -5.07 120.40 117.14 2cw2 s VAL 3 Ca 0.00 -2.37 0.03 0.00 0.00 0.00 0.00 61.98 59.64 2cw2 s VAL 3 Cb 0.00 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2cw2 s VAL 3 CO 0.00 -0.98 0.15 0.42 0.00 0.00 0.00 175.10 174.69 2cw2 s THR 4 N 0.38 4.81 -3.70 3.92 -4.23 -1.26 -5.04 115.64 110.53 2cw2 s THR 4 Ca 0.15 -0.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 2cw2 s THR 4 Cb -0.15 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.31 2cw2 s THR 4 CO -0.06 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 2cw2 n GLY 5 N 0.09 -1.27 0.21 3.99 0.00 -1.26 -4.88 105.19 102.08 2cw2 n GLY 5 Ca -0.08 -1.10 0.12 0.00 0.00 0.00 0.00 46.02 44.96 2cw2 n GLY 5 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cw2 h PRO 6 N 0.00 0.00 -6.98 1.61 0.13 -1.96 -3.46 132.00 121.34 2cw2 h PRO 6 Ca 0.00 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.68 2cw2 h PRO 6 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2cw2 h PRO 6 CO 0.00 0.02 0.33 -0.06 -0.23 0.00 0.00 178.00 178.06 2cw2 s PHE 7 N -3.20 3.45 0.18 1.56 0.08 -1.26 -5.07 117.98 113.71 2cw2 s PHE 7 Ca 0.07 1.65 0.07 0.00 0.12 0.00 0.00 56.93 58.84 2cw2 s PHE 7 Cb 0.05 -2.86 -0.04 0.00 -0.57 0.00 0.00 43.02 39.60 2cw2 s PHE 7 CO 0.68 0.01 -0.15 -0.65 -0.10 0.00 0.00 175.22 175.01 2cw2 s GLN 8 N -2.77 1.24 -0.43 0.44 -1.52 -1.26 -4.95 119.66 110.40 2cw2 s GLN 8 Ca 0.57 -1.48 -0.15 0.00 -1.95 0.00 0.00 55.36 52.36 2cw2 s GLN 8 Cb -0.12 -1.08 0.04 0.00 -0.22 0.00 0.00 33.01 31.63 2cw2 s GLN 8 CO 0.17 0.19 0.32 0.00 -0.25 0.00 0.00 175.29 175.72 2cw2 s PRO 10 N 1.65 3.54 0.62 0.00 0.02 -1.26 -4.96 135.00 134.61 2cw2 s PRO 10 Ca 0.04 2.27 -0.17 0.00 0.02 0.00 0.00 61.00 63.17 2cw2 s PRO 10 Cb -0.21 -2.52 -0.02 0.00 0.02 0.00 0.00 34.50 31.78 2cw2 s PRO 10 CO 0.08 -0.88 1.12 -1.25 -0.33 0.00 0.00 177.00 175.74 2cw2 s PRO 11 N -2.59 2.97 0.38 5.54 0.04 -1.26 -4.97 135.00 135.10 2cw2 s PRO 11 Ca 0.64 1.48 -0.27 0.00 0.04 0.00 0.00 61.00 62.89 2cw2 s PRO 11 Cb -0.41 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.06 2cw2 s PRO 11 CO 0.51 -1.13 1.37 1.28 0.04 0.00 0.00 177.00 179.06 2cw2 n LEU 12 N -2.04 4.22 -0.04 -3.56 4.32 -1.26 -4.90 117.00 113.73 2cw2 n LEU 12 Ca 0.11 1.18 0.00 0.00 -0.02 0.00 0.00 56.01 57.28 2cw2 n LEU 12 Cb 0.52 -1.54 0.00 0.00 -1.62 0.00 0.00 43.42 40.77 2cw2 n LEU 12 CO 0.46 -0.28 0.44 -0.81 -1.22 0.00 0.00 177.39 175.98 2cw2 n PRO 13 N 0.33 0.92 -3.75 3.23 -0.04 -1.26 -4.83 135.00 129.59 2cw2 n PRO 13 Ca 0.04 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.40 2cw2 n PRO 13 Cb 0.38 -1.04 -0.05 0.00 -0.04 0.00 0.00 33.50 32.76 2cw2 n PRO 13 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2cw2 s TYR 14 N -1.92 -0.04 0.84 0.54 -0.85 -1.26 -5.05 117.35 109.60 2cw2 s TYR 14 Ca 0.00 -0.30 -0.12 0.00 -0.52 0.00 0.00 57.07 56.14 2cw2 s TYR 14 Cb 0.00 0.26 0.10 0.00 0.38 0.00 0.00 41.96 42.70 2cw2 s TYR 14 CO 0.00 -0.81 1.11 0.14 -1.52 0.00 0.00 175.55 174.47 2cw2 s VAL 15 N -3.87 2.64 0.45 -3.49 -7.23 -1.26 -4.95 120.40 102.69 2cw2 s VAL 15 Ca 0.09 0.21 0.13 0.00 -1.81 0.00 0.00 61.98 60.59 2cw2 s VAL 15 Cb 0.01 -2.96 0.21 0.00 0.56 0.00 0.00 36.38 34.20 2cw2 s VAL 15 CO -0.05 -0.27 2.02 0.11 -0.31 0.00 0.00 175.10 176.60 2cw2 h LYS 16 N -1.25 0.10 -0.55 4.82 1.79 -1.99 -2.33 116.57 117.17 2cw2 h LYS 16 Ca -0.48 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 2cw2 h LYS 16 Cb 1.29 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 2cw2 h LYS 16 CO 0.60 0.20 0.00 0.27 -1.08 0.00 0.00 179.45 179.44 2cw2 n ASN 17 N -4.38 2.94 0.23 0.86 0.23 -1.26 -3.41 115.26 110.46 2cw2 n ASN 17 Ca -0.02 -2.00 0.11 0.00 -0.53 0.00 0.00 54.58 52.15 2cw2 n ASN 17 Cb 0.20 -0.37 0.45 0.00 -2.08 0.00 0.00 39.78 37.98 2cw2 n ASN 17 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2cw2 h ALA 18 N 4.01 0.99 -0.46 -2.53 0.00 -1.76 -2.79 119.26 116.72 2cw2 h ALA 18 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2cw2 h ALA 18 Cb 0.73 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2cw2 h ALA 18 CO 0.00 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.73 2cw2 n LEU 19 N -3.27 3.57 -4.77 0.00 4.77 -1.26 -4.42 117.00 111.62 2cw2 n LEU 19 Ca 0.01 -1.61 -0.36 0.00 -0.03 0.00 0.00 56.01 54.01 2cw2 n LEU 19 Cb 0.43 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 2cw2 n LEU 19 CO 0.32 0.80 0.80 -1.61 -1.33 0.00 0.00 177.39 176.37 2cw2 s GLU 20 N -1.37 3.69 0.00 3.23 8.01 -1.05 -1.55 118.70 129.65 2cw2 s GLU 20 Ca 0.41 1.67 0.25 0.00 0.01 0.00 0.00 54.97 57.31 2cw2 s GLU 20 Cb 0.23 -2.28 0.92 0.00 -4.31 0.00 0.00 34.13 28.69 2cw2 s GLU 20 CO 0.32 -0.59 1.66 -0.35 0.01 0.00 0.00 175.26 176.31 2cw2 n PRO 21 N -0.72 1.72 -0.12 0.39 -0.04 -1.26 -4.88 135.00 130.09 2cw2 n PRO 21 Ca 0.08 -1.06 -0.05 0.00 -0.04 0.00 0.00 63.50 62.43 2cw2 n PRO 21 Cb 0.49 -1.45 0.14 0.00 -0.04 0.00 0.00 33.50 32.64 2cw2 n PRO 21 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cw2 h HIS 22 N 2.42 0.88 -3.47 0.54 3.86 -1.66 -3.42 115.15 114.30 2cw2 h HIS 22 Ca 0.00 -0.13 -0.29 0.00 -1.16 0.00 0.00 60.37 58.79 2cw2 h HIS 22 Cb 0.52 -0.24 -0.34 0.00 1.06 0.00 0.00 27.41 28.41 2cw2 h HIS 22 CO 0.04 0.81 -0.71 1.41 0.86 0.00 0.00 177.93 180.34 2cw2 s MET 23 N -4.97 -0.02 0.63 2.45 -2.45 -0.59 -4.93 119.30 109.42 2cw2 s MET 23 Ca -0.10 0.22 -0.11 0.00 -1.25 0.00 0.00 55.69 54.46 2cw2 s MET 23 Cb 0.14 -0.25 -0.03 0.00 1.25 0.00 0.00 34.83 35.95 2cw2 s MET 23 CO 0.82 -0.18 1.04 -1.54 1.05 0.00 0.00 175.02 176.21 2cw2 s SER 24 N 1.13 6.10 0.33 1.11 1.04 -1.26 -2.86 113.70 119.29 2cw2 s SER 24 Ca -0.09 1.39 0.01 0.00 0.48 0.00 0.00 55.95 57.75 2cw2 s SER 24 Cb -0.13 -2.41 0.58 0.00 0.10 0.00 0.00 66.02 64.17 2cw2 s SER 24 CO -0.03 -0.95 1.97 0.00 0.98 0.00 0.00 173.24 175.21 2cw2 h ALA 25 N -0.38 1.53 -0.67 5.32 0.00 -1.90 -1.89 119.26 121.28 2cw2 h ALA 25 Ca -0.44 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 2cw2 h ALA 25 Cb 1.20 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2cw2 h ALA 25 CO 0.62 0.40 0.24 1.49 0.00 0.00 0.00 179.25 182.00 2cw2 h GLU 26 N 0.94 1.02 -0.00 0.00 4.81 -1.93 -0.56 114.58 118.85 2cw2 h GLU 26 Ca 0.30 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2cw2 h GLU 26 Cb 0.01 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 2cw2 h GLU 26 CO -0.08 0.86 0.00 1.15 -0.73 0.00 0.00 179.01 180.22 2cw2 h THR 27 N 0.96 1.05 -0.65 0.32 2.02 -1.84 -1.64 112.91 113.13 2cw2 h THR 27 Ca 0.22 -0.15 0.02 0.00 0.77 0.00 0.00 66.41 67.28 2cw2 h THR 27 Cb 0.25 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 2cw2 h THR 27 CO -0.01 0.04 0.43 -0.07 0.37 0.00 0.00 175.52 176.27 2cw2 h LEU 28 N -0.05 0.69 0.15 2.58 3.38 -1.15 0.21 115.31 121.12 2cw2 h LEU 28 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2cw2 h LEU 28 Cb 0.06 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2cw2 h LEU 28 CO -0.00 0.49 -0.07 0.74 0.09 0.00 0.00 178.44 179.68 2cw2 h THR 29 N 0.81 0.97 -0.28 0.22 2.02 -0.83 -1.11 112.91 114.71 2cw2 h THR 29 Ca 0.25 -0.60 -0.06 0.00 0.77 0.00 0.00 66.41 66.77 2cw2 h THR 29 Cb 0.01 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 2cw2 h THR 29 CO -0.06 0.14 -0.08 1.88 0.37 0.00 0.00 175.52 177.77 2cw2 h TYR 30 N -0.50 0.62 -0.23 3.16 0.05 -1.10 0.15 116.97 119.12 2cw2 h TYR 30 Ca -0.02 -0.14 -0.04 0.00 0.05 0.00 0.00 58.73 58.59 2cw2 h TYR 30 Cb 0.39 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 2cw2 h TYR 30 CO 0.02 0.75 0.00 1.25 -1.05 0.00 0.00 178.16 179.14 2cw2 h HIS 31 N 0.30 0.44 0.00 4.88 2.76 -0.63 -0.70 115.15 122.20 2cw2 h HIS 31 Ca 0.07 -0.07 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 2cw2 h HIS 31 Cb 0.56 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 2cw2 h HIS 31 CO 0.05 0.57 -0.31 1.25 -1.30 0.00 0.00 177.93 178.20 2cw2 h HIS 32 N 0.18 0.00 0.00 5.26 -0.00 -1.27 -0.49 115.15 118.83 2cw2 h HIS 32 Ca 0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.37 2cw2 h HIS 32 Cb 0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.80 2cw2 h HIS 32 CO 0.03 0.54 -0.33 -0.44 -0.00 0.00 0.00 177.93 177.73 2cw2 h ASP 33 N -1.00 0.00 0.00 3.26 3.32 -0.79 -1.14 116.42 120.06 2cw2 h ASP 33 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2cw2 h ASP 33 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2cw2 h ASP 33 CO -0.03 0.33 -0.43 0.29 -1.72 0.00 0.00 179.24 177.67 2cw2 n LYS 34 N -3.39 0.23 0.36 3.56 4.76 -0.51 -4.46 118.16 118.70 2cw2 n LYS 34 Ca 0.00 0.09 -0.16 0.00 -2.87 0.00 0.00 58.31 55.37 2cw2 n LYS 34 Cb 0.52 -0.90 -0.08 0.00 -1.84 0.00 0.00 35.03 32.74 2cw2 n LYS 34 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2cw2 h HIS 35 N -0.43 -0.87 0.32 2.13 3.86 -1.14 -0.42 115.15 118.60 2cw2 h HIS 35 Ca 0.00 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2cw2 h HIS 35 Cb 0.43 0.29 -0.01 0.00 1.06 0.00 0.00 27.41 29.18 2cw2 h HIS 35 CO -0.19 -0.51 -0.26 1.25 0.86 0.00 0.00 177.93 179.09 2cw2 h HIS 36 N -1.14 -0.68 -0.78 2.45 -0.00 -1.02 -1.51 115.15 112.47 2cw2 h HIS 36 Ca -0.10 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.30 2cw2 h HIS 36 Cb 0.75 0.26 -0.04 0.00 -0.00 0.00 0.00 27.41 28.37 2cw2 h HIS 36 CO -0.00 -0.38 0.51 0.37 -0.00 0.00 0.00 177.93 178.43 2cw2 h GLN 37 N -0.58 0.94 -0.27 5.26 5.75 -1.25 -1.91 115.11 123.05 2cw2 h GLN 37 Ca -0.02 -0.06 -0.12 0.00 -0.15 0.00 0.00 58.65 58.30 2cw2 h GLN 37 Cb 0.51 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 2cw2 h GLN 37 CO -0.02 0.62 -0.33 1.15 -2.65 0.00 0.00 178.83 177.60 2cw2 h THR 38 N 0.97 1.29 -0.73 2.39 2.02 -0.75 -0.02 112.91 118.08 2cw2 h THR 38 Ca 0.30 -1.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.03 2cw2 h THR 38 Cb 0.02 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 2cw2 h THR 38 CO -0.08 0.46 0.44 1.88 0.37 0.00 0.00 175.52 178.59 2cw2 h TYR 39 N 0.49 0.96 -0.26 3.16 0.05 -0.50 -0.50 116.97 120.36 2cw2 h TYR 39 Ca 0.06 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 2cw2 h TYR 39 Cb 0.81 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 2cw2 h TYR 39 CO 0.03 0.65 0.06 0.28 -1.05 0.00 0.00 178.16 178.13 2cw2 h VAL 40 N 1.00 1.22 -0.54 -2.88 2.07 -1.04 -1.43 116.25 114.64 2cw2 h VAL 40 Ca 0.26 -0.73 0.10 0.00 0.82 0.00 0.00 66.70 67.16 2cw2 h VAL 40 Cb -0.03 1.20 -0.08 0.00 -1.52 0.00 0.00 31.29 30.85 2cw2 h VAL 40 CO -0.05 0.23 0.07 0.44 0.02 0.00 0.00 177.57 178.28 2cw2 h ASP 41 N 0.25 -0.09 -0.37 0.57 3.45 -0.65 -0.77 116.42 118.81 2cw2 h ASP 41 Ca 0.08 0.11 -0.07 0.00 0.43 0.00 0.00 57.03 57.58 2cw2 h ASP 41 Cb 0.30 0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.23 2cw2 h ASP 41 CO 0.00 -0.02 -0.04 0.74 -1.57 0.00 0.00 179.24 178.35 2cw2 h THR 42 N 0.19 1.27 -0.71 0.35 2.02 -0.99 -1.59 112.91 113.45 2cw2 h THR 42 Ca 0.28 -1.06 0.08 0.00 0.77 0.00 0.00 66.41 66.47 2cw2 h THR 42 Cb 0.41 1.22 -0.06 0.00 -1.74 0.00 0.00 68.15 67.97 2cw2 h THR 42 CO -0.40 0.35 0.38 0.25 0.37 0.00 0.00 175.52 176.48 2cw2 h LEU 43 N 0.48 0.54 -1.15 2.58 5.85 -1.05 -1.54 115.31 121.02 2cw2 h LEU 43 Ca 0.10 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2cw2 h LEU 43 Cb 0.52 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 2cw2 h LEU 43 CO 0.03 0.32 0.32 0.78 -0.34 0.00 0.00 178.44 179.55 2cw2 h ASN 44 N 0.67 0.82 -0.78 1.25 2.35 -0.85 0.25 115.58 119.28 2cw2 h ASN 44 Ca 0.34 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 56.01 2cw2 h ASN 44 Cb 0.29 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 2cw2 h ASN 44 CO -0.23 0.69 0.51 -1.28 -1.65 0.00 0.00 177.43 175.47 2cw2 h SER 45 N 0.91 0.90 -0.29 5.81 0.87 -0.34 0.02 113.55 121.43 2cw2 h SER 45 Ca 0.23 -0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.61 2cw2 h SER 45 Cb 0.08 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2cw2 h SER 45 CO -0.03 0.66 -0.38 0.40 -0.53 0.00 0.00 176.83 176.95 2cw2 h ILE 46 N 1.06 1.30 -0.55 2.23 2.04 -0.71 -3.13 117.51 119.75 2cw2 h ILE 46 Ca 0.28 -1.57 0.05 0.00 1.00 0.00 0.00 64.86 64.62 2cw2 h ILE 46 Cb -0.11 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 2cw2 h ILE 46 CO -0.06 0.51 0.36 0.00 0.00 0.00 0.00 178.15 178.96 2cw2 h ALA 47 N 0.69 1.79 0.00 1.87 0.00 -0.04 -0.43 119.26 123.14 2cw2 h ALA 47 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2cw2 h ALA 47 Cb 0.97 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2cw2 h ALA 47 CO 0.09 0.13 -0.11 0.00 0.00 0.00 0.00 179.25 179.36 2cw2 h ALA 48 N 1.69 1.43 -0.14 0.00 0.00 -0.94 -2.83 119.26 118.47 2cw2 h ALA 48 Ca 0.23 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2cw2 h ALA 48 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2cw2 h ALA 48 CO -0.06 0.14 0.00 0.39 0.00 0.00 0.00 179.25 179.72 2cw2 n GLU 49 N -3.84 2.32 -3.42 0.00 1.02 -0.39 -4.87 120.64 111.45 2cw2 n GLU 49 Ca -0.02 -1.59 -0.22 0.00 -0.02 0.00 0.00 57.16 55.31 2cw2 n GLU 49 Cb 0.21 -1.13 -0.10 0.00 -0.02 0.00 0.00 31.44 30.40 2cw2 n GLU 49 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2cw2 s ASN 50 N -0.89 2.13 0.50 1.62 3.84 -0.31 -5.00 114.94 116.83 2cw2 s ASN 50 Ca 0.10 -1.45 0.27 0.00 0.21 0.00 0.00 52.86 52.00 2cw2 s ASN 50 Cb 0.06 0.17 1.32 0.00 -0.55 0.00 0.00 41.25 42.24 2cw2 s ASN 50 CO 0.08 -0.34 2.00 0.77 -2.79 0.00 0.00 177.10 176.82 2cw2 h SER 51 N 7.60 0.00 0.07 -4.21 4.64 -1.87 -0.68 113.55 119.10 2cw2 h SER 51 Ca -0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2cw2 h SER 51 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2cw2 h SER 51 CO 0.29 0.14 -0.03 0.74 -0.87 0.00 0.00 176.83 177.10 2cw2 h THR 52 N 0.00 1.12 -0.71 2.95 2.02 -1.94 -0.92 112.91 115.43 2cw2 h THR 52 Ca -0.00 -0.66 -0.06 0.00 0.77 0.00 0.00 66.41 66.46 2cw2 h THR 52 Cb 0.46 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 2cw2 h THR 52 CO 0.02 0.16 0.22 0.40 0.37 0.00 0.00 175.52 176.69 2cw2 h ILE 53 N -0.39 1.26 -0.01 3.11 2.04 -1.74 -2.57 117.51 119.21 2cw2 h ILE 53 Ca -0.01 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 64.96 2cw2 h ILE 53 Cb 0.34 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2cw2 h ILE 53 CO 0.01 0.35 0.01 0.00 0.00 0.00 0.00 178.15 178.52 2cw2 h ALA 55 N 1.18 1.73 0.00 1.87 0.00 -0.97 -2.12 119.26 120.95 2cw2 h ALA 55 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2cw2 h ALA 55 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2cw2 h ALA 55 CO -0.01 -0.01 -0.07 -1.13 0.00 0.00 0.00 179.25 178.04 2cw2 n SER 56 N -4.14 0.45 -4.83 0.00 3.41 -0.37 -4.88 113.62 103.28 2cw2 n SER 56 Ca -0.03 0.47 -0.34 0.00 -0.26 0.00 0.00 58.87 58.71 2cw2 n SER 56 Cb 0.09 -0.56 -0.06 0.00 -0.26 0.00 0.00 64.21 63.42 2cw2 n SER 56 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2cw2 s LYS 57 N -3.06 3.23 0.70 4.33 1.02 -0.80 -5.09 119.74 120.07 2cw2 s LYS 57 Ca 0.12 -0.37 -0.12 0.00 0.02 0.00 0.00 55.97 55.62 2cw2 s LYS 57 Cb 0.15 -2.98 0.02 0.00 -0.52 0.00 0.00 37.83 34.50 2cw2 s LYS 57 CO 0.58 0.68 1.08 0.99 -0.92 0.00 0.00 175.35 177.77 2cw2 s THR 58 N -1.18 3.61 0.23 2.17 2.01 -1.26 -4.82 115.64 116.40 2cw2 s THR 58 Ca 0.22 0.60 -0.07 0.00 0.31 0.00 0.00 61.69 62.75 2cw2 s THR 58 Cb -0.12 -3.17 0.21 0.00 0.01 0.00 0.00 72.50 69.42 2cw2 s THR 58 CO 0.13 -0.61 1.69 -0.07 -0.69 0.00 0.00 174.62 175.07 2cw2 h LEU 59 N -0.54 -0.00 -1.21 4.42 4.07 -1.95 -0.97 115.31 119.12 2cw2 h LEU 59 Ca -0.45 0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.65 2cw2 h LEU 59 Cb 1.23 0.18 -0.04 0.00 1.08 0.00 0.00 40.66 43.11 2cw2 h LEU 59 CO 0.54 -0.02 0.51 -0.33 -1.08 0.00 0.00 178.44 178.06 2cw2 h GLU 60 N 0.26 1.04 -0.23 1.13 3.07 -1.92 0.64 114.58 118.57 2cw2 h GLU 60 Ca 0.37 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 59.03 2cw2 h GLU 60 Cb 0.60 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 2cw2 h GLU 60 CO -0.47 0.70 -0.42 1.96 -1.40 0.00 0.00 179.01 179.38 2cw2 h GLN 61 N 1.07 0.54 -0.43 2.33 4.20 -1.57 -1.67 115.11 119.58 2cw2 h GLN 61 Ca 0.29 -0.28 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 2cw2 h GLN 61 Cb -0.11 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 2cw2 h GLN 61 CO -0.06 0.86 -0.29 0.82 -0.67 0.00 0.00 178.83 179.49 2cw2 h ILE 62 N 0.44 1.27 -0.98 2.54 2.04 -0.60 -1.00 117.51 121.23 2cw2 h ILE 62 Ca 0.04 -1.46 0.06 0.00 1.00 0.00 0.00 64.86 64.50 2cw2 h ILE 62 Cb 0.92 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 38.18 2cw2 h ILE 62 CO 0.08 0.49 0.64 0.40 0.00 0.00 0.00 178.15 179.76 2cw2 h ILE 63 N 0.79 1.09 0.00 -0.67 2.04 -0.74 0.29 117.51 120.32 2cw2 h ILE 63 Ca 0.09 -0.39 -0.11 0.00 1.00 0.00 0.00 64.86 65.45 2cw2 h ILE 63 Cb 0.87 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 2cw2 h ILE 63 CO 0.08 0.21 -0.52 0.11 0.00 0.00 0.00 178.15 178.03 2cw2 h LYS 64 N 1.15 0.00 0.00 2.37 1.57 -0.96 -3.41 116.57 117.28 2cw2 h LYS 64 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 2cw2 h LYS 64 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2cw2 h LYS 64 CO -0.16 0.52 -0.59 2.41 -0.57 0.00 0.00 179.45 181.06 2cw2 n THR 65 N -3.25 0.00 -2.64 -0.16 -1.04 -0.41 -4.97 114.28 101.81 2cw2 n THR 65 Ca 0.02 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.80 2cw2 n THR 65 Cb 0.73 0.12 0.08 0.00 -1.82 0.00 0.00 70.33 69.44 2cw2 n THR 65 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2cw2 s GLU 66 N -1.26 1.99 0.10 -2.82 8.01 0.10 -5.03 118.70 119.80 2cw2 s GLU 66 Ca 0.00 -1.05 -0.01 0.00 0.01 0.00 0.00 54.97 53.92 2cw2 s GLU 66 Cb 0.00 -2.40 -0.04 0.00 -4.31 0.00 0.00 34.13 27.38 2cw2 s GLU 66 CO 0.00 -1.18 0.02 0.95 0.01 0.00 0.00 175.26 175.06 2cw2 s THR 67 N -2.99 0.18 0.00 3.63 -4.23 -1.26 -4.74 115.64 106.23 2cw2 s THR 67 Ca 0.63 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 2cw2 s THR 67 Cb -0.07 -1.82 0.00 0.00 1.34 0.00 0.00 72.50 71.95 2cw2 s THR 67 CO 0.42 -0.70 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 2cw2 n GLY 68 N -0.01 2.53 0.16 3.99 0.00 -1.26 -3.36 105.19 107.23 2cw2 n GLY 68 Ca -0.09 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 2cw2 n GLY 68 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2cw2 h LYS 69 N 0.00 -0.10 -0.77 1.61 3.64 -1.99 -0.29 116.57 118.66 2cw2 h LYS 69 Ca 0.00 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 2cw2 h LYS 69 Cb 0.00 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.78 2cw2 h LYS 69 CO 0.00 -0.07 0.44 -1.35 -2.27 0.00 0.00 179.45 176.20 2cw2 h PRO 70 N -0.11 0.74 -0.17 1.90 0.11 -1.99 0.17 132.00 132.65 2cw2 h PRO 70 Ca 0.10 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2cw2 h PRO 70 Cb 0.25 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 2cw2 h PRO 70 CO -0.23 0.49 0.10 0.35 -0.21 0.00 0.00 178.00 178.51 2cw2 h PHE 71 N 0.76 0.20 -0.80 0.65 3.57 -1.43 -1.19 116.94 118.70 2cw2 h PHE 71 Ca 0.36 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 2cw2 h PHE 71 Cb 0.29 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 2cw2 h PHE 71 CO -0.07 0.12 0.46 -0.91 -2.23 0.00 0.00 178.31 175.68 2cw2 h ASN 72 N 0.21 0.96 -0.02 0.41 2.35 0.30 -0.09 115.58 119.71 2cw2 h ASN 72 Ca 0.06 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2cw2 h ASN 72 Cb -0.02 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.11 2cw2 h ASN 72 CO -0.02 0.76 -0.06 1.56 -1.65 0.00 0.00 177.43 178.02 2cw2 h GLN 73 N 1.10 0.07 -0.61 0.81 4.20 -0.55 -1.22 115.11 118.90 2cw2 h GLN 73 Ca 0.28 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.94 2cw2 h GLN 73 Cb -0.02 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 2cw2 h GLN 73 CO -0.05 0.69 0.40 0.00 -0.67 0.00 0.00 178.83 179.20 2cw2 h ALA 74 N 0.38 0.78 -0.21 3.87 0.00 -1.07 -0.23 119.26 122.78 2cw2 h ALA 74 Ca -0.00 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2cw2 h ALA 74 Cb 0.70 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2cw2 h ALA 74 CO 0.01 0.22 0.03 0.00 0.00 0.00 0.00 179.25 179.52 2cw2 h ALA 75 N 1.21 0.20 -0.41 0.00 0.00 -1.05 -1.36 119.26 117.86 2cw2 h ALA 75 Ca 0.22 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2cw2 h ALA 75 Cb -0.08 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2cw2 h ALA 75 CO -0.05 -0.40 -0.00 1.96 0.00 0.00 0.00 179.25 180.76 2cw2 h GLN 76 N 0.11 0.66 -0.03 0.00 1.08 -0.86 0.31 115.11 116.39 2cw2 h GLN 76 Ca 0.10 -0.16 -0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2cw2 h GLN 76 Cb 0.10 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2cw2 h GLN 76 CO -0.14 0.68 0.01 0.28 -0.95 0.00 0.00 178.83 178.72 2cw2 h VAL 77 N 0.62 1.15 -0.33 -0.54 2.07 -0.69 -1.65 116.25 116.89 2cw2 h VAL 77 Ca 0.13 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.21 2cw2 h VAL 77 Cb 0.40 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 2cw2 h VAL 77 CO 0.02 0.12 0.20 0.22 0.02 0.00 0.00 177.57 178.14 2cw2 h TYR 78 N -0.13 0.38 -0.78 1.57 3.20 -0.87 -2.25 116.97 118.09 2cw2 h TYR 78 Ca 0.01 0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.97 2cw2 h TYR 78 Cb 0.18 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.27 2cw2 h TYR 78 CO -0.01 0.23 0.44 -0.91 -1.64 0.00 0.00 178.16 176.27 2cw2 h ASN 79 N 0.41 0.65 -0.09 -2.11 2.35 -0.23 -0.32 115.58 116.24 2cw2 h ASN 79 Ca 0.13 0.04 -0.17 0.00 -0.55 0.00 0.00 56.30 55.75 2cw2 h ASN 79 Cb -0.01 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.27 2cw2 h ASN 79 CO -0.05 0.40 -0.60 0.45 -1.65 0.00 0.00 177.43 175.97 2cw2 h HIS 80 N 0.78 0.78 -0.68 1.19 3.86 -1.19 0.18 115.15 120.06 2cw2 h HIS 80 Ca 0.36 -0.36 0.04 0.00 -1.16 0.00 0.00 60.37 59.26 2cw2 h HIS 80 Cb 0.27 -0.11 -0.05 0.00 1.06 0.00 0.00 27.41 28.58 2cw2 h HIS 80 CO -0.06 1.16 0.40 1.15 0.86 0.00 0.00 177.93 181.44 2cw2 h THR 81 N 0.17 1.03 -0.40 2.45 2.02 -1.15 0.45 112.91 117.48 2cw2 h THR 81 Ca -0.05 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 66.82 2cw2 h THR 81 Cb 1.26 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 2cw2 h THR 81 CO 0.12 0.14 0.05 0.15 0.37 0.00 0.00 175.52 176.35 2cw2 h PHE 82 N 0.77 0.72 0.11 3.16 3.57 -1.02 -1.82 116.94 122.43 2cw2 h PHE 82 Ca 0.29 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.69 2cw2 h PHE 82 Cb 0.10 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 2cw2 h PHE 82 CO -0.06 0.72 -0.14 0.35 -2.23 0.00 0.00 178.31 176.95 2cw2 h PHE 83 N 0.52 -0.37 -0.12 0.41 3.57 -0.33 -1.04 116.94 119.58 2cw2 h PHE 83 Ca 0.12 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 2cw2 h PHE 83 Cb 0.39 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 2cw2 h PHE 83 CO 0.03 -0.21 -0.31 0.74 -2.23 0.00 0.00 178.31 176.32 2cw2 h PHE 84 N -0.30 0.26 0.00 0.41 0.05 -0.88 -0.45 116.94 116.03 2cw2 h PHE 84 Ca 0.01 -0.05 -0.04 0.00 3.82 0.00 0.00 57.97 61.70 2cw2 h PHE 84 Cb 0.30 -0.06 -0.01 0.00 2.00 0.00 0.00 35.95 38.18 2cw2 h PHE 84 CO -0.14 0.52 -0.21 -0.91 -0.18 0.00 0.00 178.31 177.39 2cw2 h ASN 85 N 0.21 0.00 0.53 2.17 -0.26 -1.10 -3.03 115.58 114.09 2cw2 h ASN 85 Ca 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 2cw2 h ASN 85 Cb 0.66 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.92 2cw2 h ASN 85 CO 0.05 0.21 -0.04 -3.20 -1.06 0.00 0.00 177.43 173.39 2cw2 n ASN 86 N -4.03 0.12 -4.68 5.81 4.05 -0.19 -4.76 115.26 111.58 2cw2 n ASN 86 Ca -0.02 -0.24 -0.24 0.00 0.45 0.00 0.00 54.58 54.53 2cw2 n ASN 86 Cb 0.29 -0.23 -0.07 0.00 1.23 0.00 0.00 39.78 41.00 2cw2 n ASN 86 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2cw2 s LEU 87 N -2.57 3.33 -0.19 1.20 1.43 -1.15 -0.51 118.68 120.23 2cw2 s LEU 87 Ca 0.28 -0.49 -0.27 0.00 -1.03 0.00 0.00 54.13 52.62 2cw2 s LEU 87 Cb 0.20 -1.91 0.08 0.00 0.03 0.00 0.00 46.19 44.60 2cw2 s LEU 87 CO 0.47 0.03 0.78 0.00 0.23 0.00 0.00 176.35 177.86 2cw2 s ALA 88 N -2.07 -1.82 0.48 4.21 0.00 0.39 -4.60 121.76 118.35 2cw2 s ALA 88 Ca 0.30 1.75 0.14 0.00 0.00 0.00 0.00 51.96 54.15 2cw2 s ALA 88 Cb -0.08 -0.81 1.11 0.00 0.00 0.00 0.00 23.12 23.34 2cw2 s ALA 88 CO 0.20 -0.33 2.08 -1.00 0.00 0.00 0.00 175.76 176.71 2cw2 h PRO 89 N 4.05 0.07 -0.53 0.00 0.13 -1.86 -1.89 132.00 131.97 2cw2 h PRO 89 Ca -0.27 -0.01 -0.23 0.00 -0.87 0.00 0.00 66.00 64.62 2cw2 h PRO 89 Cb 1.16 -0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.14 2cw2 h PRO 89 CO 0.19 0.12 0.14 -1.71 -0.23 0.00 0.00 178.00 176.50 2cw2 n ASN 90 N -4.45 3.29 -1.37 1.44 5.15 -1.26 -4.98 115.26 113.08 2cw2 n ASN 90 Ca -0.02 -3.55 0.00 0.00 -0.60 0.00 0.00 54.58 50.41 2cw2 n ASN 90 Cb 0.15 -0.68 0.00 0.00 -0.53 0.00 0.00 39.78 38.72 2cw2 n ASN 90 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2cw2 n GLY 91 N -0.90 1.04 3.46 8.20 0.00 -0.71 -5.02 105.19 111.26 2cw2 n GLY 91 Ca 0.38 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.61 2cw2 n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cw2 n GLY 92 N 5.00 -2.28 7.00 -0.02 0.00 0.69 -4.70 105.19 110.89 2cw2 n GLY 92 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 2cw2 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cw2 n GLY 93 N -0.28 -1.08 3.77 -0.02 0.00 -1.13 -4.80 105.19 101.65 2cw2 n GLY 93 Ca 0.00 -1.14 -0.38 0.00 0.00 0.00 0.00 46.02 44.50 2cw2 n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cw2 s GLU 94 N 0.00 4.36 0.58 1.61 2.02 -1.26 -5.01 118.70 121.00 2cw2 s GLU 94 Ca 0.00 1.69 -0.17 0.00 0.02 0.00 0.00 54.97 56.50 2cw2 s GLU 94 Cb 0.00 -2.85 -0.04 0.00 0.10 0.00 0.00 34.13 31.34 2cw2 s GLU 94 CO 0.00 -0.01 1.09 -1.25 0.02 0.00 0.00 175.26 175.11 2cw2 s PRO 95 N -2.00 3.24 0.46 0.39 0.04 -1.26 -5.08 135.00 130.80 2cw2 s PRO 95 Ca 0.52 1.40 0.03 0.00 0.04 0.00 0.00 61.00 62.98 2cw2 s PRO 95 Cb -0.28 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 2cw2 s PRO 95 CO 0.35 -0.90 0.05 0.95 0.04 0.00 0.00 177.00 177.49 2cw2 s THR 96 N -2.16 1.05 0.00 1.26 -4.23 -1.26 -4.70 115.64 105.60 2cw2 s THR 96 Ca 0.68 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 2cw2 s THR 96 Cb -0.20 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.32 2cw2 s THR 96 CO 0.33 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.02 2cw2 n GLY 97 N -1.09 0.24 0.34 3.99 0.00 -1.26 -3.67 105.19 103.74 2cw2 n GLY 97 Ca -0.13 -0.90 -0.05 0.00 0.00 0.00 0.00 46.02 44.95 2cw2 n GLY 97 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2cw2 h LYS 98 N 0.00 1.13 -0.31 1.61 1.63 -1.98 -2.46 116.57 116.19 2cw2 h LYS 98 Ca 0.00 -0.20 -0.06 0.00 -0.85 0.00 0.00 60.65 59.54 2cw2 h LYS 98 Cb 0.00 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.43 2cw2 h LYS 98 CO 0.00 0.92 -0.05 -0.84 -3.45 0.00 0.00 179.45 176.03 2cw2 h ILE 99 N 1.10 1.21 -0.67 2.00 -0.00 -1.93 -1.32 117.51 117.90 2cw2 h ILE 99 Ca 0.25 -0.86 0.00 0.00 -0.00 0.00 0.00 64.86 64.25 2cw2 h ILE 99 Cb 0.22 1.03 -0.03 0.00 -0.00 0.00 0.00 36.82 38.03 2cw2 h ILE 99 CO -0.02 0.29 0.44 0.00 -0.00 0.00 0.00 178.15 178.86 2cw2 h ALA 100 N 1.48 0.85 -0.44 0.16 0.00 -1.52 0.22 119.26 120.02 2cw2 h ALA 100 Ca 0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2cw2 h ALA 100 Cb 0.39 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2cw2 h ALA 100 CO 0.02 0.28 0.24 1.49 0.00 0.00 0.00 179.25 181.28 2cw2 h GLU 101 N 0.91 0.61 -0.13 0.00 4.81 -1.22 -1.78 114.58 117.77 2cw2 h GLU 101 Ca 0.24 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.25 2cw2 h GLU 101 Cb -0.09 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 2cw2 h GLU 101 CO -0.05 0.48 -0.60 -0.07 -0.73 0.00 0.00 179.01 178.04 2cw2 h LEU 102 N 0.57 0.48 -0.42 1.64 3.38 -0.81 -0.06 115.31 120.09 2cw2 h LEU 102 Ca 0.15 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2cw2 h LEU 102 Cb 0.05 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2cw2 h LEU 102 CO -0.03 0.96 0.20 0.40 0.09 0.00 0.00 178.44 180.06 2cw2 h ILE 103 N 0.32 1.18 -0.41 1.22 2.04 -0.44 0.24 117.51 121.66 2cw2 h ILE 103 Ca -0.00 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.33 2cw2 h ILE 103 Cb 1.13 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 2cw2 h ILE 103 CO 0.10 0.20 0.26 0.74 0.00 0.00 0.00 178.15 179.45 2cw2 h THR 104 N 0.54 1.12 -0.63 -0.27 2.02 -1.08 0.93 112.91 115.54 2cw2 h THR 104 Ca 0.14 -0.25 0.05 0.00 0.77 0.00 0.00 66.41 67.12 2cw2 h THR 104 Cb 0.13 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.05 2cw2 h THR 104 CO -0.02 0.12 0.36 -0.09 0.37 0.00 0.00 175.52 176.27 2cw2 h ARG 105 N 0.55 0.67 0.00 6.66 2.43 -0.52 -0.26 114.38 123.91 2cw2 h ARG 105 Ca 0.15 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2cw2 h ARG 105 Cb -0.03 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 2cw2 h ARG 105 CO -0.03 0.44 -1.67 -0.25 -1.51 0.00 0.00 179.97 176.96 2cw2 n ASP 106 N -4.77 0.63 0.00 -3.80 8.00 0.03 -4.39 116.55 112.25 2cw2 n ASP 106 Ca 0.07 -0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.36 2cw2 n ASP 106 Cb 0.14 1.69 0.00 0.00 -0.02 0.00 0.00 41.12 42.93 2cw2 n ASP 106 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2cw2 n PHE 107 N -2.01 0.00 0.00 1.24 3.72 0.30 -5.03 117.46 115.68 2cw2 n PHE 107 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2cw2 n PHE 107 Cb 0.46 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 2cw2 n PHE 107 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2cw2 n GLY 108 N 0.46 2.27 3.45 1.37 0.00 -0.11 -4.51 105.19 108.12 2cw2 n GLY 108 Ca 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 2cw2 n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cw2 s SER 109 N 0.00 -0.57 0.26 1.61 1.04 -1.26 -4.73 113.70 110.05 2cw2 s SER 109 Ca 0.00 0.14 -0.05 0.00 0.48 0.00 0.00 55.95 56.52 2cw2 s SER 109 Cb 0.00 0.57 0.30 0.00 0.10 0.00 0.00 66.02 66.99 2cw2 s SER 109 CO 0.00 -0.87 1.93 0.15 0.98 0.00 0.00 173.24 175.43 2cw2 h PHE 110 N 2.20 1.21 -0.69 5.02 3.57 -1.91 -2.00 116.94 124.34 2cw2 h PHE 110 Ca -0.32 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.26 2cw2 h PHE 110 Cb 1.27 -0.41 -0.05 0.00 2.79 0.00 0.00 35.95 39.55 2cw2 h PHE 110 CO 0.26 0.77 0.40 0.93 -2.23 0.00 0.00 178.31 178.44 2cw2 h GLU 111 N 1.29 0.73 -0.36 1.11 5.08 -1.96 0.14 114.58 120.62 2cw2 h GLU 111 Ca 0.35 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.52 2cw2 h GLU 111 Cb -0.13 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 28.95 2cw2 h GLU 111 CO -0.07 0.48 -0.34 0.87 -1.00 0.00 0.00 179.01 178.95 2cw2 h LYS 112 N 0.75 0.86 -0.48 2.33 1.57 -1.79 -0.63 116.57 119.18 2cw2 h LYS 112 Ca 0.30 -0.45 0.04 0.00 -1.87 0.00 0.00 60.65 58.67 2cw2 h LYS 112 Cb 0.14 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 2cw2 h LYS 112 CO -0.16 1.09 0.25 0.35 -0.57 0.00 0.00 179.45 180.40 2cw2 h PHE 113 N 0.65 0.46 -0.84 -1.35 3.57 -0.95 -1.43 116.94 117.05 2cw2 h PHE 113 Ca 0.06 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 2cw2 h PHE 113 Cb 0.92 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.49 2cw2 h PHE 113 CO 0.07 0.23 0.51 -0.22 -2.23 0.00 0.00 178.31 176.67 2cw2 h LYS 114 N 0.49 1.14 -0.21 1.11 3.64 -0.46 -0.08 116.57 122.20 2cw2 h LYS 114 Ca 0.21 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 2cw2 h LYS 114 Cb 0.10 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 2cw2 h LYS 114 CO -0.14 0.80 0.09 1.49 -2.27 0.00 0.00 179.45 179.42 2cw2 h GLU 115 N 1.15 0.20 0.22 1.90 4.81 -0.74 -1.12 114.58 120.99 2cw2 h GLU 115 Ca 0.30 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 2cw2 h GLU 115 Cb -0.05 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.29 2cw2 h GLU 115 CO -0.06 0.13 -0.11 -0.44 -0.73 0.00 0.00 179.01 177.81 2cw2 h ASP 116 N 0.20 -0.25 -0.40 1.04 5.19 -0.78 -1.40 116.42 120.02 2cw2 h ASP 116 Ca 0.09 -0.06 -0.04 0.00 -0.62 0.00 0.00 57.03 56.40 2cw2 h ASP 116 Cb 0.03 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 2cw2 h ASP 116 CO -0.07 -0.10 0.10 0.15 -3.12 0.00 0.00 179.24 176.20 2cw2 h PHE 117 N -0.38 0.68 -0.42 4.55 3.04 -1.03 -1.70 116.94 121.68 2cw2 h PHE 117 Ca -0.03 -0.08 0.02 0.00 3.98 0.00 0.00 57.97 61.86 2cw2 h PHE 117 Cb 0.29 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.58 2cw2 h PHE 117 CO -0.04 0.65 0.24 0.77 -2.02 0.00 0.00 178.31 177.91 2cw2 h SER 118 N 0.51 0.38 -0.67 0.41 0.02 -1.18 -1.30 113.55 111.72 2cw2 h SER 118 Ca 0.13 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2cw2 h SER 118 Cb 0.31 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 2cw2 h SER 118 CO 0.00 0.27 0.35 0.00 -1.14 0.00 0.00 176.83 176.31 2cw2 h ALA 119 N 1.20 0.86 -0.38 3.77 0.00 -0.91 0.38 119.26 124.17 2cw2 h ALA 119 Ca 0.17 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2cw2 h ALA 119 Cb 0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2cw2 h ALA 119 CO -0.09 0.39 0.16 0.00 0.00 0.00 0.00 179.25 179.71 2cw2 h ALA 120 N 1.17 0.46 -0.51 0.00 0.00 -1.15 0.15 119.26 119.38 2cw2 h ALA 120 Ca 0.23 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2cw2 h ALA 120 Cb 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2cw2 h ALA 120 CO -0.03 -0.22 0.03 0.00 0.00 0.00 0.00 179.25 179.03 2cw2 h ALA 121 N 1.22 0.68 -0.09 0.00 0.00 -0.62 -2.18 119.26 118.27 2cw2 h ALA 121 Ca 0.17 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 2cw2 h ALA 121 Cb 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2cw2 h ALA 121 CO -0.14 0.46 -0.49 0.28 0.00 0.00 0.00 179.25 179.36 2cw2 h VAL 122 N 0.74 1.34 0.00 0.00 2.07 -0.15 -3.25 116.25 117.01 2cw2 h VAL 122 Ca 0.15 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 65.96 2cw2 h VAL 122 Cb 0.48 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2cw2 h VAL 122 CO 0.02 0.51 -0.44 1.23 0.02 0.00 0.00 177.57 178.91 2cw2 h GLY 123 N 1.33 0.00 -5.18 2.17 0.00 -0.78 -3.47 103.07 97.14 2cw2 h GLY 123 Ca 0.01 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 2cw2 h GLY 123 CO 0.08 0.00 1.12 -1.58 0.00 0.00 0.00 176.54 176.16 2cw2 s HIS 124 N -3.15 1.86 -0.08 5.60 5.04 -0.84 -4.94 115.29 118.77 2cw2 s HIS 124 Ca 0.07 -0.04 -0.23 0.00 -1.54 0.00 0.00 55.06 53.32 2cw2 s HIS 124 Cb 0.13 -4.08 -0.03 0.00 0.04 0.00 0.00 32.58 28.63 2cw2 s HIS 124 CO 0.69 -4.61 0.69 0.12 -2.34 0.00 0.00 174.74 169.29 2cw2 s PHE 125 N 3.67 3.55 0.00 3.88 5.36 -1.26 -4.87 117.98 128.31 2cw2 s PHE 125 Ca 0.80 1.21 0.00 0.00 -0.96 0.00 0.00 56.93 57.98 2cw2 s PHE 125 Cb -0.40 -2.81 0.00 0.00 -0.34 0.00 0.00 43.02 39.47 2cw2 s PHE 125 CO 0.35 0.05 0.00 0.41 -1.46 0.00 0.00 175.22 174.57 2cw2 n GLY 126 N 3.19 -1.43 3.79 13.12 0.00 -1.26 -4.89 105.19 117.71 2cw2 n GLY 126 Ca -0.01 -1.40 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 2cw2 n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cw2 s SER 127 N -4.00 7.27 0.00 1.61 0.01 -1.26 -4.75 113.70 112.57 2cw2 s SER 127 Ca 0.00 1.58 0.00 0.00 1.31 0.00 0.00 55.95 58.84 2cw2 s SER 127 Cb 0.00 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2cw2 s SER 127 CO 0.00 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.38 2cw2 n GLY 128 N 1.18 -1.05 3.00 3.44 0.00 -1.26 -0.29 105.19 110.22 2cw2 n GLY 128 Ca -0.04 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 2cw2 n GLY 128 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2cw2 s TRP 129 N -3.00 0.37 -0.08 1.61 0.52 0.30 -1.09 118.94 117.58 2cw2 s TRP 129 Ca 0.00 -0.51 0.04 0.00 0.02 0.00 0.00 56.10 55.65 2cw2 s TRP 129 Cb 0.00 -0.24 -0.01 0.00 -1.15 0.00 0.00 33.47 32.06 2cw2 s TRP 129 CO 0.00 -0.16 -0.20 0.08 0.02 0.00 0.00 176.95 176.69 2cw2 s VAL 130 N -1.40 2.47 0.00 4.03 1.01 -0.62 -0.29 120.40 125.59 2cw2 s VAL 130 Ca -0.14 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.01 2cw2 s VAL 130 Cb -0.10 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 2cw2 s VAL 130 CO -0.01 0.56 -0.25 0.26 0.00 0.00 0.00 175.10 175.67 2cw2 s TRP 131 N -0.09 2.20 -0.22 5.22 0.52 0.13 -1.24 118.94 125.46 2cw2 s TRP 131 Ca -0.04 -0.41 -0.13 0.00 0.02 0.00 0.00 56.10 55.53 2cw2 s TRP 131 Cb -0.14 -1.39 -0.04 0.00 -1.15 0.00 0.00 33.47 30.75 2cw2 s TRP 131 CO 0.04 0.01 0.29 -1.17 0.02 0.00 0.00 176.95 176.15 2cw2 s LEU 132 N -0.78 4.13 0.20 2.99 2.96 -0.32 -0.82 118.68 127.03 2cw2 s LEU 132 Ca 0.10 0.33 0.11 0.00 -0.22 0.00 0.00 54.13 54.45 2cw2 s LEU 132 Cb -0.10 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.22 2cw2 s LEU 132 CO -0.00 -0.02 -0.23 -0.51 -1.32 0.00 0.00 176.35 174.27 2cw2 s ILE 133 N 1.24 2.31 -0.25 6.68 1.10 0.11 -0.59 121.20 131.79 2cw2 s ILE 133 Ca 0.14 -2.06 -0.10 0.00 -0.51 0.00 0.00 60.65 58.12 2cw2 s ILE 133 Cb -0.14 -2.11 -0.05 0.00 0.15 0.00 0.00 42.46 40.31 2cw2 s ILE 133 CO 0.07 -0.17 0.15 0.00 -2.11 0.00 0.00 174.94 172.88 2cw2 s ALA 134 N -1.80 3.48 0.00 1.50 0.00 0.10 -1.35 121.76 123.69 2cw2 s ALA 134 Ca 0.21 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2cw2 s ALA 134 Cb -0.07 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.73 2cw2 s ALA 134 CO 0.10 -0.36 0.00 -3.47 0.00 0.00 0.00 175.76 172.03 2cw2 n ASP 135 N 4.66 0.00 -3.06 0.00 -0.08 0.11 -2.39 116.55 115.79 2cw2 n ASP 135 Ca -0.15 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.83 2cw2 n ASP 135 Cb 0.52 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.96 2cw2 n ASP 135 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2cw2 n ASP 136 N -0.62 5.22 0.00 1.67 -0.08 -1.26 -4.68 116.55 116.81 2cw2 n ASP 136 Ca 0.00 -3.70 0.00 0.00 -1.51 0.00 0.00 54.79 49.58 2cw2 n ASP 136 Cb 0.00 -0.70 0.00 0.00 2.34 0.00 0.00 41.12 42.76 2cw2 n ASP 136 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2cw2 n GLY 137 N -0.23 1.06 3.61 0.27 0.00 -1.26 -5.04 105.19 103.59 2cw2 n GLY 137 Ca 0.36 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.04 2cw2 n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cw2 s LYS 138 N -0.48 2.80 0.24 1.61 -0.14 -1.26 -4.99 119.74 117.52 2cw2 s LYS 138 Ca 0.00 -0.52 -0.30 0.00 -1.36 0.00 0.00 55.97 53.79 2cw2 s LYS 138 Cb 0.00 -2.64 -0.09 0.00 -1.68 0.00 0.00 37.83 33.42 2cw2 s LYS 138 CO 0.00 0.67 0.97 -0.51 -0.76 0.00 0.00 175.35 175.72 2cw2 s LEU 139 N -0.86 4.63 -0.09 3.17 1.43 -1.26 0.03 118.68 125.74 2cw2 s LEU 139 Ca 0.13 2.00 -0.17 0.00 -1.03 0.00 0.00 54.13 55.05 2cw2 s LEU 139 Cb -0.11 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.54 2cw2 s LEU 139 CO 0.02 0.10 0.42 -0.75 0.23 0.00 0.00 176.35 176.37 2cw2 s LYS 140 N -1.17 0.65 -0.22 1.70 2.20 -0.46 -4.92 119.74 117.52 2cw2 s LYS 140 Ca 0.42 0.23 -0.14 0.00 -0.36 0.00 0.00 55.97 56.12 2cw2 s LYS 140 Cb -0.27 0.30 -0.04 0.00 -1.51 0.00 0.00 37.83 36.31 2cw2 s LYS 140 CO 0.33 -0.15 0.33 0.42 -0.36 0.00 0.00 175.35 175.92 2cw2 s ILE 141 N -0.61 5.24 0.06 5.43 1.01 -1.26 -0.71 121.20 130.37 2cw2 s ILE 141 Ca -0.07 0.54 0.05 0.00 0.00 0.00 0.00 60.65 61.17 2cw2 s ILE 141 Cb -0.04 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 2cw2 s ILE 141 CO 0.03 0.27 -0.14 0.68 0.00 0.00 0.00 174.94 175.79 2cw2 s VAL 142 N 1.29 1.07 -0.03 2.92 -7.23 -0.00 -4.98 120.40 113.43 2cw2 s VAL 142 Ca 0.15 -1.22 -0.01 0.00 -1.81 0.00 0.00 61.98 59.09 2cw2 s VAL 142 Cb -0.14 -1.03 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 2cw2 s VAL 142 CO 0.07 -0.18 0.06 -1.10 -0.31 0.00 0.00 175.10 173.64 2cw2 s GLN 143 N -1.59 3.04 -0.27 4.82 -0.21 -1.26 0.17 119.66 124.36 2cw2 s GLN 143 Ca -0.02 -0.45 0.03 0.00 0.02 0.00 0.00 55.36 54.94 2cw2 s GLN 143 Cb -0.09 -2.85 0.07 0.00 1.00 0.00 0.00 33.01 31.13 2cw2 s GLN 143 CO 0.02 0.67 -0.08 0.20 -2.12 0.00 0.00 175.29 173.97 2cw2 s GLY 144 N -1.45 1.69 0.37 3.09 0.00 0.60 -4.97 107.32 106.66 2cw2 s GLY 144 Ca 0.19 -1.88 -0.26 0.00 0.00 0.00 0.00 44.72 42.78 2cw2 s GLY 144 CO 0.10 0.67 1.13 -1.58 0.00 0.00 0.00 173.10 173.41 2cw2 s HIS 145 N 1.08 3.23 0.00 1.90 2.46 -1.26 -0.54 115.29 122.15 2cw2 s HIS 145 Ca -0.06 1.60 0.00 0.00 0.47 0.00 0.00 55.06 57.07 2cw2 s HIS 145 Cb -0.20 -3.32 0.00 0.00 -0.13 0.00 0.00 32.58 28.93 2cw2 s HIS 145 CO -0.05 -1.01 0.00 -0.25 -2.47 0.00 0.00 174.74 170.96 2cw2 n ASP 146 N 0.31 0.00 -1.17 9.88 8.00 0.60 -0.87 116.55 133.31 2cw2 n ASP 146 Ca 0.03 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.64 2cw2 n ASP 146 Cb 0.47 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.83 2cw2 n ASP 146 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cw2 n ALA 147 N 9.08 2.41 -1.64 2.24 0.00 -1.26 -4.23 120.51 127.11 2cw2 n ALA 147 Ca 0.00 -1.06 -0.47 0.00 0.00 0.00 0.00 53.44 51.91 2cw2 n ALA 147 Cb 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 19.45 18.49 2cw2 n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cw2 n GLY 148 N 1.52 0.66 2.78 0.00 0.00 -0.05 -4.65 105.19 105.46 2cw2 n GLY 148 Ca 0.21 0.58 -0.17 0.00 0.00 0.00 0.00 46.02 46.64 2cw2 n GLY 148 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2cw2 s ASN 149 N 0.43 0.74 0.00 1.61 3.04 -1.26 -4.37 114.94 115.14 2cw2 s ASN 149 Ca 0.75 0.22 0.12 0.00 0.04 0.00 0.00 52.86 53.99 2cw2 s ASN 149 Cb -0.75 0.09 0.60 0.00 -1.54 0.00 0.00 41.25 39.64 2cw2 s ASN 149 CO 0.46 -0.23 1.34 -0.81 -3.04 0.00 0.00 177.10 174.83 2cw2 n PRO 150 N 5.11 0.12 0.29 0.43 -0.04 -1.26 -1.37 135.00 138.28 2cw2 n PRO 150 Ca -0.08 0.21 0.14 0.00 -0.04 0.00 0.00 63.50 63.73 2cw2 n PRO 150 Cb 0.50 -1.50 0.86 0.00 -0.04 0.00 0.00 33.50 33.32 2cw2 n PRO 150 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2cw2 h ILE 151 N 0.00 0.55 -0.46 0.52 2.04 -1.95 -1.58 117.51 116.64 2cw2 h ILE 151 Ca 0.00 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 2cw2 h ILE 151 Cb 0.15 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 2cw2 h ILE 151 CO 0.00 0.03 0.20 -0.09 0.00 0.00 0.00 178.15 178.29 2cw2 h ARG 152 N 0.00 0.65 0.00 2.37 2.43 -1.45 -3.41 114.38 114.98 2cw2 h ARG 152 Ca -0.00 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2cw2 h ARG 152 Cb 0.09 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2cw2 h ARG 152 CO 0.00 0.52 0.00 -0.85 -1.51 0.00 0.00 179.97 178.14 2cw2 n GLU 153 N -4.38 1.82 0.00 0.20 0.00 -0.62 -4.81 120.64 112.84 2cw2 n GLU 153 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.28 2cw2 n GLU 153 Cb 0.14 0.00 0.49 0.00 0.00 0.00 0.00 31.44 32.07 2cw2 n GLU 153 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2cw2 n SER 154 N -0.24 0.00 -4.95 -1.84 3.41 -1.26 -4.96 113.62 103.78 2cw2 n SER 154 Ca 0.00 -0.40 -0.23 0.00 -0.26 0.00 0.00 58.87 57.98 2cw2 n SER 154 Cb 0.00 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 63.86 2cw2 n SER 154 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2cw2 s LYS 155 N -2.14 3.47 -0.29 4.33 1.02 -1.02 -4.99 119.74 120.12 2cw2 s LYS 155 Ca 0.24 -0.55 -0.05 0.00 0.02 0.00 0.00 55.97 55.63 2cw2 s LYS 155 Cb 0.12 -2.79 0.02 0.00 -0.52 0.00 0.00 37.83 34.65 2cw2 s LYS 155 CO 0.21 0.31 0.05 0.99 -0.92 0.00 0.00 175.35 175.99 2cw2 s THR 156 N -2.11 3.66 0.23 2.17 2.01 -1.01 -3.95 115.64 116.65 2cw2 s THR 156 Ca 0.37 -0.85 -0.30 0.00 0.31 0.00 0.00 61.69 61.22 2cw2 s THR 156 Cb -0.09 -2.92 -0.09 0.00 0.01 0.00 0.00 72.50 69.41 2cw2 s THR 156 CO 0.32 0.07 1.19 -2.16 -0.69 0.00 0.00 174.62 173.35 2cw2 s PRO 157 N 1.44 4.51 -0.03 4.92 0.04 -1.26 -0.72 135.00 143.90 2cw2 s PRO 157 Ca 0.01 1.91 0.01 0.00 0.04 0.00 0.00 61.00 62.97 2cw2 s PRO 157 Cb -0.17 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.14 2cw2 s PRO 157 CO 0.01 -0.03 -0.01 1.28 0.04 0.00 0.00 177.00 178.28 2cw2 n LEU 158 N 2.00 1.78 -3.70 -3.56 4.77 0.24 -4.90 117.00 113.63 2cw2 n LEU 158 Ca 0.03 -0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 2cw2 n LEU 158 Cb 0.44 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.42 2cw2 n LEU 158 CO 0.56 0.35 0.11 -0.32 -1.33 0.00 0.00 177.39 176.76 2cw2 s MET 159 N -2.06 0.78 0.17 3.23 0.00 -1.06 -4.45 119.30 115.93 2cw2 s MET 159 Ca -0.03 -0.16 -0.10 0.00 0.00 0.00 0.00 55.69 55.40 2cw2 s MET 159 Cb 0.01 0.35 -0.00 0.00 0.00 0.00 0.00 34.83 35.19 2cw2 s MET 159 CO 0.08 -0.23 0.33 0.54 0.00 0.00 0.00 175.02 175.73 2cw2 s ASN 160 N -1.46 -0.01 -0.01 1.11 2.20 -1.26 -1.18 114.94 114.33 2cw2 s ASN 160 Ca -0.11 -0.82 0.01 0.00 -0.94 0.00 0.00 52.86 51.00 2cw2 s ASN 160 Cb -0.03 0.47 0.01 0.00 -2.00 0.00 0.00 41.25 39.69 2cw2 s ASN 160 CO 0.04 -0.93 -0.02 0.27 -2.94 0.00 0.00 177.10 173.51 2cw2 s ILE 161 N -3.96 0.24 -0.26 0.54 -4.36 -0.37 -4.89 121.20 108.13 2cw2 s ILE 161 Ca 0.16 -0.07 -0.22 0.00 -0.26 0.00 0.00 60.65 60.27 2cw2 s ILE 161 Cb 0.02 -0.25 -0.01 0.00 1.25 0.00 0.00 42.46 43.47 2cw2 s ILE 161 CO 0.00 0.10 0.70 -0.62 0.24 0.00 0.00 174.94 175.36 2cw2 s ASP 162 N 0.31 6.65 -0.06 4.36 -1.08 -1.26 -1.59 116.67 124.00 2cw2 s ASP 162 Ca -0.03 0.77 0.12 0.00 -0.52 0.00 0.00 52.55 52.89 2cw2 s ASP 162 Cb -0.06 -2.37 0.35 0.00 -1.46 0.00 0.00 42.92 39.38 2cw2 s ASP 162 CO -0.01 -0.44 1.28 1.33 0.52 0.00 0.00 175.17 177.85 2cw2 n VAL 163 N 5.26 1.42 -1.68 1.11 0.24 -0.25 -4.83 118.33 119.60 2cw2 n VAL 163 Ca 0.01 -1.31 -0.41 0.00 -2.04 0.00 0.00 64.34 60.60 2cw2 n VAL 163 Cb 0.48 0.25 0.02 0.00 -1.47 0.00 0.00 33.84 33.12 2cw2 n VAL 163 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 2cw2 n TRP 164 N 0.06 1.86 -0.10 6.34 7.02 -1.14 -4.44 117.44 127.03 2cw2 n TRP 164 Ca 0.14 0.50 0.07 0.00 -1.02 0.00 0.00 57.50 57.19 2cw2 n TRP 164 Cb 0.56 -2.33 0.41 0.00 -2.42 0.00 0.00 31.31 27.53 2cw2 n TRP 164 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 2cw2 h GLU 165 N 1.80 0.59 -0.01 -0.99 5.08 -1.93 -1.64 114.58 117.47 2cw2 h GLU 165 Ca -0.47 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2cw2 h GLU 165 Cb 1.31 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2cw2 h GLU 165 CO 0.58 0.39 0.04 1.12 -1.00 0.00 0.00 179.01 180.14 2cw2 h HIS 166 N 0.61 0.00 0.00 4.33 2.07 -1.98 0.13 115.15 120.30 2cw2 h HIS 166 Ca 0.25 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.68 2cw2 h HIS 166 Cb 0.22 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.19 2cw2 h HIS 166 CO -0.00 0.00 -0.45 0.00 -3.07 0.00 0.00 177.93 174.41 2cw2 h ALA 167 N 1.93 1.03 0.00 6.11 0.00 -1.61 -3.37 119.26 123.34 2cw2 h ALA 167 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2cw2 h ALA 167 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2cw2 h ALA 167 CO -0.00 0.56 -0.09 2.48 0.00 0.00 0.00 179.25 182.19 2cw2 n TYR 168 N -3.67 0.00 0.06 0.00 0.18 -0.76 -4.89 117.16 108.08 2cw2 n TYR 168 Ca -0.01 0.00 0.03 0.00 1.88 0.00 0.00 57.90 59.81 2cw2 n TYR 168 Cb 0.53 0.00 0.42 0.00 -0.38 0.00 0.00 39.34 39.91 2cw2 n TYR 168 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 2cw2 h TYR 169 N 0.00 0.40 -0.53 -3.48 3.20 -0.94 0.16 116.97 115.78 2cw2 h TYR 169 Ca 0.00 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 2cw2 h TYR 169 Cb 0.00 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 2cw2 h TYR 169 CO 0.00 0.34 0.06 0.82 -1.64 0.00 0.00 178.16 177.74 2cw2 h ILE 170 N 0.41 1.24 0.00 1.81 2.04 -1.84 -0.57 117.51 120.60 2cw2 h ILE 170 Ca 0.10 -0.94 -0.26 0.00 1.00 0.00 0.00 64.86 64.77 2cw2 h ILE 170 Cb 0.12 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 2cw2 h ILE 170 CO -0.01 0.34 -1.86 0.47 0.00 0.00 0.00 178.15 177.09 2cw2 n ASP 171 N -4.24 0.52 0.00 1.72 8.00 -0.71 -4.62 116.55 117.22 2cw2 n ASP 171 Ca 0.03 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.77 2cw2 n ASP 171 Cb 0.27 0.51 0.00 0.00 -0.02 0.00 0.00 41.12 41.88 2cw2 n ASP 171 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2cw2 n TYR 172 N -2.84 0.00 0.00 1.24 4.01 0.48 -5.09 117.16 114.96 2cw2 n TYR 172 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 2cw2 n TYR 172 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.01 2cw2 n TYR 172 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2cw2 n ARG 173 N -0.22 0.00 -0.02 -0.72 5.12 -0.22 -1.25 116.66 119.35 2cw2 n ARG 173 Ca 0.00 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.04 2cw2 n ARG 173 Cb 0.07 0.00 0.59 0.00 -1.16 0.00 0.00 32.46 31.96 2cw2 n ARG 173 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 2cw2 n ASN 174 N 3.60 0.74 -3.57 0.55 2.04 -1.26 -4.35 115.26 113.02 2cw2 n ASN 174 Ca 0.00 -1.41 -0.41 0.00 -0.44 0.00 0.00 54.58 52.32 2cw2 n ASN 174 Cb 0.00 -0.03 -0.01 0.00 -2.53 0.00 0.00 39.78 37.21 2cw2 n ASN 174 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2cw2 n ALA 175 N -0.35 6.37 -0.29 -2.53 0.00 -0.38 -4.73 120.51 118.60 2cw2 n ALA 175 Ca 0.18 -3.80 0.06 0.00 0.00 0.00 0.00 53.44 49.88 2cw2 n ALA 175 Cb 0.20 -3.39 0.27 0.00 0.00 0.00 0.00 19.45 16.53 2cw2 n ALA 175 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2cw2 h ARG 176 N 5.52 0.93 -0.92 0.00 2.43 -1.84 -1.27 114.38 119.24 2cw2 h ARG 176 Ca 0.68 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.83 2cw2 h ARG 176 Cb 0.48 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 29.77 2cw2 h ARG 176 CO 1.81 0.62 0.60 0.00 -1.51 0.00 0.00 179.97 181.48 2cw2 h ALA 177 N 1.53 1.42 -0.39 2.80 0.00 -1.93 0.06 119.26 122.75 2cw2 h ALA 177 Ca 0.40 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.15 2cw2 h ALA 177 Cb 0.30 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2cw2 h ALA 177 CO -0.16 0.48 -0.23 0.37 0.00 0.00 0.00 179.25 179.71 2cw2 h GLN 178 N 1.14 0.79 -0.50 0.00 4.15 -1.64 -1.11 115.11 117.94 2cw2 h GLN 178 Ca 0.37 -0.32 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2cw2 h GLN 178 Cb 0.03 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 2cw2 h GLN 178 CO -0.11 0.94 0.32 -0.92 -1.93 0.00 0.00 178.83 177.13 2cw2 h TYR 179 N 0.69 0.65 -0.47 3.99 3.20 -0.92 -2.04 116.97 122.06 2cw2 h TYR 179 Ca 0.09 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.88 2cw2 h TYR 179 Cb 0.75 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 2cw2 h TYR 179 CO 0.04 0.43 -0.05 0.28 -1.64 0.00 0.00 178.16 177.22 2cw2 h VAL 180 N 0.68 1.27 -0.63 1.81 2.07 -0.76 -1.33 116.25 119.35 2cw2 h VAL 180 Ca 0.18 -1.15 0.12 0.00 0.82 0.00 0.00 66.70 66.67 2cw2 h VAL 180 Cb -0.04 1.06 -0.09 0.00 -1.52 0.00 0.00 31.29 30.70 2cw2 h VAL 180 CO -0.04 0.40 0.17 0.50 0.02 0.00 0.00 177.57 178.62 2cw2 h LYS 181 N 0.72 0.30 0.00 1.57 3.64 -1.05 -2.42 116.57 119.32 2cw2 h LYS 181 Ca 0.13 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 2cw2 h LYS 181 Cb 0.58 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2cw2 h LYS 181 CO 0.03 0.20 -0.35 -0.91 -2.27 0.00 0.00 179.45 176.16 2cw2 h ASN 182 N 0.31 0.00 -0.50 4.20 2.35 -0.74 -2.93 115.58 118.27 2cw2 h ASN 182 Ca 0.33 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 56.12 2cw2 h ASN 182 Cb 0.49 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.83 2cw2 h ASN 182 CO -0.39 0.35 0.33 0.22 -1.65 0.00 0.00 177.43 176.29 2cw2 h TYR 183 N 0.00 0.52 0.00 1.19 3.20 -0.74 -0.70 116.97 120.44 2cw2 h TYR 183 Ca -0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2cw2 h TYR 183 Cb 0.95 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 39.04 2cw2 h TYR 183 CO 0.00 0.30 -0.06 -1.49 -1.64 0.00 0.00 178.16 175.27 2cw2 h TRP 184 N 0.54 0.00 -0.00 -3.82 4.06 -1.53 0.28 115.95 115.48 2cw2 h TRP 184 Ca 0.20 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.15 2cw2 h TRP 184 Cb 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.30 2cw2 h TRP 184 CO -0.00 0.06 -0.01 0.09 -3.56 0.00 0.00 178.44 175.03 2cw2 n ASN 185 N -3.35 0.02 -0.00 -3.49 3.02 -0.27 -2.86 115.26 108.33 2cw2 n ASN 185 Ca -0.01 -0.26 0.02 0.00 -0.03 0.00 0.00 54.58 54.30 2cw2 n ASN 185 Cb 0.22 -0.24 -0.03 0.00 -0.61 0.00 0.00 39.78 39.12 2cw2 n ASN 185 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2cw2 n LEU 186 N -1.24 0.18 -4.70 3.41 4.77 0.06 -3.43 117.00 116.05 2cw2 n LEU 186 Ca 0.15 -0.37 -0.44 0.00 -0.03 0.00 0.00 56.01 55.33 2cw2 n LEU 186 Cb 0.23 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 2cw2 n LEU 186 CO 0.23 0.04 1.36 0.52 -1.33 0.00 0.00 177.39 178.21 2cw2 n VAL 187 N -1.27 0.12 -2.96 4.08 0.31 -1.06 -0.46 118.33 117.09 2cw2 n VAL 187 Ca 0.00 -0.02 -0.44 0.00 -0.01 0.00 0.00 64.34 63.87 2cw2 n VAL 187 Cb 0.10 -1.89 -0.02 0.00 -0.91 0.00 0.00 33.84 31.11 2cw2 n VAL 187 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2cw2 s ASN 188 N 1.64 6.68 0.55 4.52 3.04 0.33 -0.22 114.94 131.48 2cw2 s ASN 188 Ca 0.79 -2.17 0.33 0.00 0.04 0.00 0.00 52.86 51.85 2cw2 s ASN 188 Cb -0.56 -2.39 1.41 0.00 -1.54 0.00 0.00 41.25 38.18 2cw2 s ASN 188 CO 0.36 -1.00 2.01 -0.50 -3.04 0.00 0.00 177.10 174.93 2cw2 h TRP 189 N 8.62 0.00 -0.51 0.43 4.06 -1.90 -2.05 115.95 124.59 2cw2 h TRP 189 Ca 0.17 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 61.01 2cw2 h TRP 189 Cb 1.01 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.16 2cw2 h TRP 189 CO 1.15 0.03 -0.11 -0.44 -3.56 0.00 0.00 178.44 175.51 2cw2 h ASP 190 N 0.00 0.98 -0.25 -3.49 3.45 -1.97 0.68 116.42 115.82 2cw2 h ASP 190 Ca -0.00 -0.36 -0.04 0.00 0.43 0.00 0.00 57.03 57.07 2cw2 h ASP 190 Cb 0.49 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 2cw2 h ASP 190 CO 0.00 1.11 0.02 0.15 -1.57 0.00 0.00 179.24 178.95 2cw2 h PHE 191 N 0.84 0.47 -0.32 4.55 3.57 -1.72 -0.77 116.94 123.56 2cw2 h PHE 191 Ca 0.13 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.60 2cw2 h PHE 191 Cb 0.67 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 2cw2 h PHE 191 CO 0.05 0.58 0.08 0.28 -2.23 0.00 0.00 178.31 177.06 2cw2 h VAL 192 N 0.23 0.86 -0.36 1.41 2.07 -1.30 -0.81 116.25 118.35 2cw2 h VAL 192 Ca 0.07 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 2cw2 h VAL 192 Cb 0.38 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2cw2 h VAL 192 CO 0.01 0.04 0.02 0.78 0.02 0.00 0.00 177.57 178.44 2cw2 h ASN 193 N 0.20 0.51 -0.85 0.57 2.35 -0.72 -1.16 115.58 116.48 2cw2 h ASN 193 Ca 0.15 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 2cw2 h ASN 193 Cb 0.15 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 2cw2 h ASN 193 CO -0.19 0.57 0.46 0.44 -1.65 0.00 0.00 177.43 177.06 2cw2 h ASP 194 N 0.53 1.06 -0.73 5.81 3.32 -0.58 -0.51 116.42 125.32 2cw2 h ASP 194 Ca 0.12 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 2cw2 h ASP 194 Cb 0.31 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 2cw2 h ASP 194 CO 0.01 0.86 0.26 0.78 -1.72 0.00 0.00 179.24 179.42 2cw2 h ASN 195 N 1.18 1.03 0.14 6.45 -0.26 -0.15 -1.12 115.58 122.85 2cw2 h ASN 195 Ca 0.30 -0.19 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 2cw2 h ASN 195 Cb 0.04 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.01 2cw2 h ASN 195 CO -0.05 0.95 -0.13 0.58 -1.06 0.00 0.00 177.43 177.72 2cw2 h VAL 196 N 1.06 0.70 -0.55 2.81 2.07 -0.90 -2.04 116.25 119.40 2cw2 h VAL 196 Ca 0.24 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.81 2cw2 h VAL 196 Cb 0.26 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 2cw2 h VAL 196 CO -0.01 0.00 0.27 0.00 0.02 0.00 0.00 177.57 177.85 2cw2 h ALA 197 N 0.54 0.71 -0.41 1.67 0.00 -0.87 -2.51 119.26 118.39 2cw2 h ALA 197 Ca 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2cw2 h ALA 197 Cb 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2cw2 h ALA 197 CO -0.03 -0.08 -0.02 0.87 0.00 0.00 0.00 179.25 179.98 2cw2 h LYS 198 N 0.52 0.67 -7.49 0.00 1.57 -1.13 -3.43 116.57 107.28 2cw2 h LYS 198 Ca 0.25 -0.17 -0.48 0.00 -1.87 0.00 0.00 60.65 58.37 2cw2 h LYS 198 Cb 0.18 -0.08 0.09 0.00 0.08 0.00 0.00 32.23 32.50 2cw2 h LYS 198 CO -0.18 0.71 0.39 0.00 -0.57 0.00 0.00 179.45 179.80 2cw2 s ALA 199 N -4.94 2.66 -1.95 3.86 0.00 -0.78 -4.93 121.76 115.70 2cw2 s ALA 199 Ca -0.09 -0.39 0.08 0.00 0.00 0.00 0.00 51.96 51.56 2cw2 s ALA 199 Cb 0.15 -3.03 0.47 0.00 0.00 0.00 0.00 23.12 20.71 2cw2 s ALA 199 CO 0.79 -1.42 0.95 0.41 0.00 0.00 0.00 175.76 176.49 2cw2 n GLY 200 N -2.86 -0.27 0.89 0.00 0.00 -1.26 -4.90 105.19 96.79 2cw2 n GLY 200 Ca 0.07 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.15 2cw2 n GLY 200 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61