#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w29 s LEU 5 N 0.00 3.35 0.00 0.00 1.43 -1.26 -5.10 118.68 117.10 2w29 s LEU 5 Ca 0.00 -1.78 -0.14 0.00 -1.03 0.00 0.00 54.13 51.17 2w29 s LEU 5 Cb 0.00 -1.24 0.20 0.00 0.03 0.00 0.00 46.19 45.19 2w29 s LEU 5 CO 0.00 -0.37 0.99 -0.90 0.23 0.00 0.00 176.35 176.30 2w29 n ASP 6 N 4.57 -0.66 -0.00 2.29 5.68 -1.26 -4.77 116.55 122.40 2w29 n ASP 6 Ca -0.01 -1.25 0.00 0.00 -0.50 0.00 0.00 54.79 53.03 2w29 n ASP 6 Cb 0.42 -0.81 0.30 0.00 -1.14 0.00 0.00 41.12 39.90 2w29 n ASP 6 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2w29 h ASP 7 N -1.76 0.50 0.12 -1.12 5.19 -2.01 -1.96 116.42 115.38 2w29 h ASP 7 Ca -0.34 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 55.98 2w29 h ASP 7 Cb 0.96 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.35 2w29 h ASP 7 CO 0.23 0.55 -0.06 0.40 -3.12 0.00 0.00 179.24 177.24 2w29 h ILE 8 N 0.52 1.04 -0.68 0.35 1.08 -1.96 -1.54 117.51 116.32 2w29 h ILE 8 Ca 0.11 -0.73 0.08 0.00 -0.39 0.00 0.00 64.86 63.94 2w29 h ILE 8 Cb 0.29 1.49 -0.07 0.00 -3.07 0.00 0.00 36.82 35.47 2w29 h ILE 8 CO 0.01 0.17 0.34 0.44 -0.69 0.00 0.00 178.15 178.42 2w29 h ASP 9 N -0.51 0.45 -0.14 1.72 3.32 -1.88 -1.33 116.42 118.05 2w29 h ASP 9 Ca -0.02 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.13 2w29 h ASP 9 Cb 0.41 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 2w29 h ASP 9 CO 0.03 0.27 -0.17 0.03 -1.72 0.00 0.00 179.24 177.68 2w29 h ARG 10 N 0.60 -0.21 -0.76 3.56 3.08 -1.28 -1.91 114.38 117.46 2w29 h ARG 10 Ca 0.33 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.51 2w29 h ARG 10 Cb 0.32 0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.33 2w29 h ARG 10 CO -0.25 -0.14 0.36 0.82 -1.07 0.00 0.00 179.97 179.69 2w29 h ILE 11 N -0.21 0.76 -0.48 2.04 2.04 -0.68 -2.10 117.51 118.88 2w29 h ILE 11 Ca 0.10 -0.19 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 2w29 h ILE 11 Cb 0.36 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2w29 h ILE 11 CO -0.26 0.10 0.07 -0.07 0.00 0.00 0.00 178.15 177.99 2w29 h LEU 12 N 0.56 0.77 -0.64 1.44 3.38 -0.75 -2.02 115.31 118.05 2w29 h LEU 12 Ca 0.40 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 2w29 h LEU 12 Cb 0.52 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2w29 h LEU 12 CO -0.33 0.83 -0.34 -0.37 0.09 0.00 0.00 178.44 178.32 2w29 h VAL 13 N 0.67 1.28 0.06 1.22 -1.51 -1.22 -0.04 116.25 116.72 2w29 h VAL 13 Ca 0.15 -1.49 0.02 0.00 -1.23 0.00 0.00 66.70 64.15 2w29 h VAL 13 Cb 0.40 1.41 -0.03 0.00 -2.13 0.00 0.00 31.29 30.93 2w29 h VAL 13 CO 0.01 0.48 -0.20 0.03 -1.23 0.00 0.00 177.57 176.66 2w29 h ARG 14 N 0.58 -0.34 -0.69 5.19 3.08 -1.30 -0.19 114.38 120.72 2w29 h ARG 14 Ca 0.06 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2w29 h ARG 14 Cb 0.86 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 2w29 h ARG 14 CO 0.07 -0.23 0.37 0.93 -1.07 0.00 0.00 179.97 180.05 2w29 h GLU 15 N -0.35 0.95 0.00 0.04 4.39 -1.20 -1.06 114.58 117.35 2w29 h GLU 15 Ca 0.04 -0.10 -0.15 0.00 0.34 0.00 0.00 59.36 59.49 2w29 h GLU 15 Cb 0.40 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2w29 h GLU 15 CO -0.14 0.70 -0.72 -0.07 -1.16 0.00 0.00 179.01 177.62 2w29 h LEU 16 N 0.96 0.00 -0.06 1.33 3.38 -0.85 0.13 115.31 120.20 2w29 h LEU 16 Ca 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 2w29 h LEU 16 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2w29 h LEU 16 CO -0.04 0.72 0.02 0.00 0.09 0.00 0.00 178.44 179.23 2w29 h ALA 17 N 1.28 0.07 -0.03 1.53 0.00 -0.54 -2.89 119.26 118.68 2w29 h ALA 17 Ca -0.01 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 2w29 h ALA 17 Cb 1.30 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2w29 h ALA 17 CO 0.09 -0.35 -0.57 0.00 0.00 0.00 0.00 179.25 178.42 2w29 h ALA 18 N 0.87 1.00 -1.85 0.00 0.00 -1.18 -3.42 119.26 114.69 2w29 h ALA 18 Ca 0.02 -0.52 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 2w29 h ALA 18 Cb 0.15 -0.09 -0.30 0.00 0.00 0.00 0.00 17.79 17.56 2w29 h ALA 18 CO -0.00 0.71 -0.54 0.34 0.00 0.00 0.00 179.25 179.76 2w29 s ASP 19 N -6.87 0.60 0.00 0.00 -1.08 0.43 -5.03 116.67 104.71 2w29 s ASP 19 Ca -0.02 -0.29 0.29 0.00 -0.52 0.00 0.00 52.55 52.01 2w29 s ASP 19 Cb 0.13 0.99 1.20 0.00 -1.46 0.00 0.00 42.92 43.77 2w29 s ASP 19 CO 0.77 -0.35 1.86 0.61 0.52 0.00 0.00 175.17 178.58 2w29 n GLY 20 N 5.35 -1.21 1.27 2.66 0.00 -1.10 -1.70 105.19 110.47 2w29 n GLY 20 Ca -0.01 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.89 2w29 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2w29 n ARG 21 N -1.25 3.34 -1.65 1.61 1.74 -1.26 -4.99 116.66 114.21 2w29 n ARG 21 Ca 0.11 -2.69 -0.56 0.00 -0.77 0.00 0.00 57.85 53.94 2w29 n ARG 21 Cb 0.29 -1.72 -0.07 0.00 -1.02 0.00 0.00 32.46 29.94 2w29 n ARG 21 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2w29 n ALA 22 N 0.85 -0.84 -1.95 7.54 0.00 -0.69 -4.95 120.51 120.47 2w29 n ALA 22 Ca 0.22 0.46 -0.31 0.00 0.00 0.00 0.00 53.44 53.82 2w29 n ALA 22 Cb 0.77 -2.11 -0.01 0.00 0.00 0.00 0.00 19.45 18.10 2w29 n ALA 22 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2w29 s THR 23 N 1.98 4.70 0.28 0.00 -4.23 -1.26 -4.91 115.64 112.20 2w29 s THR 23 Ca 0.92 0.85 -0.03 0.00 -1.18 0.00 0.00 61.69 62.25 2w29 s THR 23 Cb -1.06 -3.81 0.26 0.00 1.34 0.00 0.00 72.50 69.22 2w29 s THR 23 CO 0.58 -0.91 1.95 -0.07 -0.54 0.00 0.00 174.62 175.63 2w29 h LEU 24 N 0.27 1.03 -1.17 4.79 -0.00 -1.96 -0.32 115.31 117.95 2w29 h LEU 24 Ca -0.46 -0.03 0.07 0.00 -0.00 0.00 0.00 57.88 57.47 2w29 h LEU 24 Cb 1.19 -0.26 -0.06 0.00 -0.00 0.00 0.00 40.66 41.54 2w29 h LEU 24 CO 0.62 0.74 0.58 0.77 -0.00 0.00 0.00 178.44 181.15 2w29 h SER 25 N 1.21 0.87 -0.29 -0.43 4.64 -1.93 0.31 113.55 117.94 2w29 h SER 25 Ca 0.33 0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.50 2w29 h SER 25 Cb -0.13 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 61.79 2w29 h SER 25 CO -0.07 0.55 -0.45 -0.33 -0.87 0.00 0.00 176.83 175.65 2w29 h GLU 26 N 0.98 0.81 -0.89 4.77 4.39 -1.48 -2.54 114.58 120.63 2w29 h GLU 26 Ca 0.39 -0.49 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 2w29 h GLU 26 Cb 0.25 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.90 2w29 h GLU 26 CO -0.15 1.12 0.52 -0.07 -1.16 0.00 0.00 179.01 179.27 2w29 h LEU 27 N 0.58 1.07 0.08 1.33 3.38 -0.74 -1.97 115.31 119.04 2w29 h LEU 27 Ca 0.03 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2w29 h LEU 27 Cb 1.05 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2w29 h LEU 27 CO 0.10 0.83 -0.04 0.00 0.09 0.00 0.00 178.44 179.42 2w29 h ALA 28 N 1.29 -0.11 0.00 1.53 0.00 -0.32 0.18 119.26 121.83 2w29 h ALA 28 Ca 0.32 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 2w29 h ALA 28 Cb -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2w29 h ALA 28 CO -0.06 -0.54 -0.47 0.00 0.00 0.00 0.00 179.25 178.18 2w29 h THR 29 N -0.15 1.29 -0.12 0.00 1.03 -1.44 -0.02 112.91 113.50 2w29 h THR 29 Ca -0.01 -1.63 -0.11 0.00 -0.01 0.00 0.00 66.41 64.66 2w29 h THR 29 Cb 0.12 1.89 -0.01 0.00 -1.07 0.00 0.00 68.15 69.08 2w29 h THR 29 CO 0.02 0.46 -0.39 0.03 -0.01 0.00 0.00 175.52 175.62 2w29 h ARG 30 N 0.00 0.26 -0.30 0.00 3.08 -1.12 -3.22 114.38 113.07 2w29 h ARG 30 Ca -0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.92 2w29 h ARG 30 Cb 0.85 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.90 2w29 h ARG 30 CO 0.06 0.62 0.00 0.00 -1.07 0.00 0.00 179.97 179.58 2w29 n ALA 31 N -2.48 2.44 -3.62 0.04 0.00 0.03 -4.98 120.51 111.96 2w29 n ALA 31 Ca -0.01 -0.88 -0.22 0.00 0.00 0.00 0.00 53.44 52.32 2w29 n ALA 31 Cb 0.47 -0.90 0.06 0.00 0.00 0.00 0.00 19.45 19.09 2w29 n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2w29 n GLY 32 N 1.44 -0.42 3.53 0.00 0.00 -0.14 -5.03 105.19 104.57 2w29 n GLY 32 Ca 0.18 0.17 -0.25 0.00 0.00 0.00 0.00 46.02 46.12 2w29 n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2w29 s LEU 33 N -6.85 2.29 0.57 0.99 1.43 -0.53 -5.05 118.68 111.53 2w29 s LEU 33 Ca 0.28 -1.47 -0.11 0.00 -1.03 0.00 0.00 54.13 51.80 2w29 s LEU 33 Cb -0.13 -0.46 -0.05 0.00 0.03 0.00 0.00 46.19 45.58 2w29 s LEU 33 CO 0.76 -0.67 0.98 -0.94 0.23 0.00 0.00 176.35 176.71 2w29 s SER 34 N -3.60 6.32 0.38 2.29 1.04 -1.26 -4.43 113.70 114.45 2w29 s SER 34 Ca 0.30 1.37 0.10 0.00 0.48 0.00 0.00 55.95 58.20 2w29 s SER 34 Cb 0.07 -2.44 0.86 0.00 0.10 0.00 0.00 66.02 64.61 2w29 s SER 34 CO 0.14 -0.75 1.94 0.58 0.98 0.00 0.00 173.24 176.13 2w29 h VAL 35 N 0.06 0.92 -0.34 5.02 2.07 -1.93 -0.43 116.25 121.63 2w29 h VAL 35 Ca -0.45 -0.21 -0.17 0.00 0.82 0.00 0.00 66.70 66.69 2w29 h VAL 35 Cb 1.19 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2w29 h VAL 35 CO 0.62 0.11 -0.44 0.28 0.02 0.00 0.00 177.57 178.16 2w29 h SER 36 N 0.62 0.96 0.19 0.57 0.02 -1.96 -1.32 113.55 112.62 2w29 h SER 36 Ca 0.34 -0.46 -0.13 0.00 -0.84 0.00 0.00 61.79 60.70 2w29 h SER 36 Cb 0.50 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2w29 h SER 36 CO -0.12 1.25 -0.47 0.00 -1.14 0.00 0.00 176.83 176.36 2w29 h ALA 37 N 0.78 0.95 0.00 3.77 0.00 -1.56 -1.93 119.26 121.28 2w29 h ALA 37 Ca 0.04 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 2w29 h ALA 37 Cb 1.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2w29 h ALA 37 CO 0.10 0.64 -0.00 0.28 0.00 0.00 0.00 179.25 180.28 2w29 h VAL 38 N 0.27 1.29 -0.35 0.00 2.07 -1.02 -1.16 116.25 117.35 2w29 h VAL 38 Ca 0.02 -0.89 0.10 0.00 0.82 0.00 0.00 66.70 66.75 2w29 h VAL 38 Cb 0.93 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 2w29 h VAL 38 CO 0.08 0.23 0.25 -0.61 0.02 0.00 0.00 177.57 177.54 2w29 h GLN 39 N -0.38 0.01 0.17 1.57 4.15 -1.14 -0.01 115.11 119.47 2w29 h GLN 39 Ca -0.00 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2w29 h GLN 39 Cb 0.38 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.07 2w29 h GLN 39 CO 0.00 0.01 -0.08 0.77 -1.93 0.00 0.00 178.83 177.60 2w29 h SER 40 N 0.01 -0.19 -0.99 -0.69 0.02 -0.51 -2.60 113.55 108.60 2w29 h SER 40 Ca 0.17 -0.30 0.14 0.00 -0.84 0.00 0.00 61.79 60.96 2w29 h SER 40 Cb 0.65 0.05 -0.15 0.00 0.14 0.00 0.00 62.40 63.09 2w29 h SER 40 CO -0.00 0.37 -0.44 0.54 -1.14 0.00 0.00 176.83 176.16 2w29 n ARG 41 N -4.91 -0.29 -0.09 3.45 5.12 -0.52 -1.95 116.66 117.47 2w29 n ARG 41 Ca -0.07 1.52 -0.07 0.00 -1.93 0.00 0.00 57.85 57.30 2w29 n ARG 41 Cb 0.24 -2.25 0.00 0.00 -1.16 0.00 0.00 32.46 29.29 2w29 n ARG 41 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2w29 h VAL 42 N 0.00 0.94 -0.78 1.55 2.07 -1.02 -0.92 116.25 118.08 2w29 h VAL 42 Ca 0.30 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.80 2w29 h VAL 42 Cb 0.54 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 2w29 h VAL 42 CO -0.97 0.05 0.45 0.03 0.02 0.00 0.00 177.57 177.15 2w29 h ARG 43 N 0.28 0.76 -0.38 1.57 3.08 -1.32 -0.25 114.38 118.12 2w29 h ARG 43 Ca 0.14 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 2w29 h ARG 43 Cb 0.09 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2w29 h ARG 43 CO -0.13 0.50 0.03 -0.09 -1.07 0.00 0.00 179.97 179.21 2w29 h ARG 44 N 0.78 0.66 -0.75 0.04 2.43 -0.65 -1.79 114.38 115.09 2w29 h ARG 44 Ca 0.37 -0.20 0.13 0.00 -0.81 0.00 0.00 59.98 59.47 2w29 h ARG 44 Cb 0.29 -0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 29.69 2w29 h ARG 44 CO -0.22 0.74 0.34 -0.07 -1.51 0.00 0.00 179.97 179.25 2w29 h LEU 45 N 0.49 0.38 -0.88 3.80 4.07 -0.86 -0.08 115.31 122.23 2w29 h LEU 45 Ca 0.11 0.09 -0.09 0.00 0.08 0.00 0.00 57.88 58.08 2w29 h LEU 45 Cb 0.43 0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 2w29 h LEU 45 CO 0.01 0.18 -0.09 -0.33 -1.08 0.00 0.00 178.44 177.13 2w29 h GLU 46 N 0.53 0.72 0.00 1.13 5.08 -0.65 -2.13 114.58 119.25 2w29 h GLU 46 Ca 0.40 -0.23 -0.28 0.00 -1.00 0.00 0.00 59.36 58.25 2w29 h GLU 46 Cb 0.54 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 2w29 h GLU 46 CO -0.35 0.80 -1.67 0.66 -1.00 0.00 0.00 179.01 177.45 2w29 h SER 47 N 0.66 0.00 -2.22 1.42 4.64 -0.38 -3.43 113.55 114.24 2w29 h SER 47 Ca 0.12 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.33 2w29 h SER 47 Cb 0.55 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.68 2w29 h SER 47 CO 0.03 0.97 0.07 0.54 -0.87 0.00 0.00 176.83 177.57 2w29 n ARG 48 N -3.04 -0.92 0.00 4.77 1.74 -0.16 -4.93 116.66 114.11 2w29 n ARG 48 Ca -0.16 -0.48 0.07 0.00 -0.77 0.00 0.00 57.85 56.51 2w29 n ARG 48 Cb 1.03 -0.38 0.34 0.00 -1.02 0.00 0.00 32.46 32.43 2w29 n ARG 48 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2w29 n GLY 49 N 1.76 -0.85 0.08 -0.13 0.00 -1.26 -4.63 105.19 100.16 2w29 n GLY 49 Ca 0.04 -0.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 2w29 n GLY 49 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2w29 h VAL 50 N 0.00 1.69 -3.40 1.61 2.07 -1.66 -3.41 116.25 113.15 2w29 h VAL 50 Ca 0.00 -2.37 -0.62 0.00 0.82 0.00 0.00 66.70 64.53 2w29 h VAL 50 Cb 0.18 3.29 -0.17 0.00 -1.52 0.00 0.00 31.29 33.07 2w29 h VAL 50 CO 0.00 0.63 -0.56 -0.69 0.02 0.00 0.00 177.57 176.97 2w29 s VAL 51 N -2.36 4.81 -0.62 2.57 1.01 -1.03 -4.98 120.40 119.81 2w29 s VAL 51 Ca -0.17 -0.02 0.14 0.00 0.00 0.00 0.00 61.98 61.93 2w29 s VAL 51 Cb -0.02 -3.20 -0.16 0.00 0.00 0.00 0.00 36.38 33.01 2w29 s VAL 51 CO 0.74 0.42 0.57 0.00 0.00 0.00 0.00 175.10 176.83 2w29 n GLN 52 N 3.90 2.27 -3.13 2.72 6.02 -1.26 -4.43 117.38 123.45 2w29 n GLN 52 Ca -0.16 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 2w29 n GLN 52 Cb 0.52 -1.17 0.00 0.00 1.02 0.00 0.00 30.24 30.61 2w29 n GLN 52 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2w29 n GLY 53 N 1.35 -1.44 2.96 1.08 0.00 -1.26 -5.14 105.19 102.74 2w29 n GLY 53 Ca 0.02 -1.42 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 2w29 n GLY 53 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2w29 s TYR 54 N -2.32 0.38 -0.12 1.61 1.51 -1.26 -5.15 117.35 112.01 2w29 s TYR 54 Ca 0.00 -0.19 -0.08 0.00 -1.01 0.00 0.00 57.07 55.78 2w29 s TYR 54 Cb 0.00 -0.24 0.04 0.00 -0.11 0.00 0.00 41.96 41.65 2w29 s TYR 54 CO 0.00 -0.04 0.30 -1.54 -1.11 0.00 0.00 175.55 173.17 2w29 s SER 55 N -0.51 -0.34 0.10 2.29 1.04 -1.26 -5.12 113.70 109.90 2w29 s SER 55 Ca -0.03 0.64 -0.31 0.00 0.48 0.00 0.00 55.95 56.73 2w29 s SER 55 Cb -0.04 0.57 -0.09 0.00 0.10 0.00 0.00 66.02 66.57 2w29 s SER 55 CO -0.00 -0.14 1.61 0.00 0.98 0.00 0.00 173.24 175.69 2w29 s ALA 56 N 0.81 3.71 -0.48 5.32 0.00 -1.26 -4.97 121.76 124.89 2w29 s ALA 56 Ca -0.05 1.25 -0.29 0.00 0.00 0.00 0.00 51.96 52.87 2w29 s ALA 56 Cb -0.06 -3.67 0.02 0.00 0.00 0.00 0.00 23.12 19.41 2w29 s ALA 56 CO -0.06 -0.99 1.26 1.03 0.00 0.00 0.00 175.76 177.01 2w29 s ARG 57 N 2.12 3.61 -0.09 0.00 3.00 -1.26 -5.01 118.95 121.32 2w29 s ARG 57 Ca 0.72 0.64 -0.09 0.00 0.00 0.00 0.00 55.73 57.00 2w29 s ARG 57 Cb -0.41 -3.98 -0.04 0.00 0.00 0.00 0.00 34.95 30.52 2w29 s ARG 57 CO 0.32 -1.53 0.22 0.42 0.00 0.00 0.00 175.30 174.73 2w29 s ILE 58 N 4.98 5.37 -0.34 1.52 1.01 -1.26 -5.06 121.20 127.41 2w29 s ILE 58 Ca 0.52 0.39 -0.29 0.00 0.00 0.00 0.00 60.65 61.28 2w29 s ILE 58 Cb -0.10 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.90 2w29 s ILE 58 CO 0.31 0.60 1.18 0.21 0.00 0.00 0.00 174.94 177.24 2w29 s ASN 59 N -1.02 6.77 0.27 3.58 3.84 -1.26 -4.89 114.94 122.23 2w29 s ASN 59 Ca 0.17 0.99 -0.01 0.00 0.21 0.00 0.00 52.86 54.22 2w29 s ASN 59 Cb -0.13 -2.54 0.35 0.00 -0.55 0.00 0.00 41.25 38.38 2w29 s ASN 59 CO 0.07 -1.04 1.77 1.55 -2.79 0.00 0.00 177.10 176.66 2w29 h PRO 60 N 8.81 0.77 -0.29 0.43 0.14 -1.97 -2.12 132.00 137.77 2w29 h PRO 60 Ca -0.23 -0.20 0.06 0.00 0.14 0.00 0.00 66.00 65.76 2w29 h PRO 60 Cb 1.07 -0.09 -0.06 0.00 0.14 0.00 0.00 31.00 32.07 2w29 h PRO 60 CO 1.05 0.78 -0.08 0.93 0.14 0.00 0.00 178.00 180.82 2w29 h GLU 61 N 0.72 -0.01 -0.72 0.86 5.08 -1.89 -1.80 114.58 116.82 2w29 h GLU 61 Ca 0.14 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.68 2w29 h GLU 61 Cb 0.44 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 2w29 h GLU 61 CO 0.02 -0.01 0.50 0.00 -1.00 0.00 0.00 179.01 178.51 2w29 h ALA 62 N 1.26 2.37 -0.57 3.43 0.00 -1.72 0.23 119.26 124.25 2w29 h ALA 62 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2w29 h ALA 62 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2w29 h ALA 62 CO -0.30 -0.57 0.00 1.33 0.00 0.00 0.00 179.25 179.71 2w29 n VAL 63 N -4.42 1.13 -0.32 0.00 0.24 -1.02 -4.95 118.33 108.99 2w29 n VAL 63 Ca 0.14 -0.88 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 2w29 n VAL 63 Cb 0.64 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 2w29 n VAL 63 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2w29 n GLY 64 N 1.25 0.83 3.37 7.63 0.00 0.07 -5.03 105.19 113.30 2w29 n GLY 64 Ca 0.21 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.77 2w29 n GLY 64 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2w29 s HIS 65 N -2.04 3.48 -1.42 1.61 3.76 -0.71 -4.15 115.29 115.83 2w29 s HIS 65 Ca 0.00 -1.70 0.27 0.00 -0.15 0.00 0.00 55.06 53.48 2w29 s HIS 65 Cb 0.00 -3.99 0.94 0.00 1.11 0.00 0.00 32.58 30.64 2w29 s HIS 65 CO 0.00 -1.18 1.69 1.28 -0.85 0.00 0.00 174.74 175.68 2w29 n LEU 66 N 5.04 0.54 -3.93 0.89 4.77 -0.95 -3.32 117.00 120.04 2w29 n LEU 66 Ca 0.15 0.01 -0.23 0.00 -0.03 0.00 0.00 56.01 55.91 2w29 n LEU 66 Cb 0.47 -0.23 -0.17 0.00 -2.33 0.00 0.00 43.42 41.16 2w29 n LEU 66 CO 0.41 0.11 -0.43 -0.22 -1.33 0.00 0.00 177.39 175.93 2w29 s LEU 67 N -2.69 1.35 0.08 2.23 0.20 -0.58 -4.97 118.68 114.30 2w29 s LEU 67 Ca 0.21 -0.22 0.09 0.00 0.69 0.00 0.00 54.13 54.90 2w29 s LEU 67 Cb 0.19 -0.67 -0.04 0.00 -0.43 0.00 0.00 46.19 45.25 2w29 s LEU 67 CO 0.55 -0.05 -0.22 -0.44 -0.29 0.00 0.00 176.35 175.91 2w29 s SER 68 N 1.08 3.60 0.04 3.68 0.01 -1.26 -1.02 113.70 119.82 2w29 s SER 68 Ca -0.08 -0.57 -0.04 0.00 1.31 0.00 0.00 55.95 56.58 2w29 s SER 68 Cb -0.14 -0.44 -0.02 0.00 0.21 0.00 0.00 66.02 65.62 2w29 s SER 68 CO -0.01 0.22 0.05 0.00 0.41 0.00 0.00 173.24 173.91 2w29 s ALA 69 N -0.99 0.07 -0.02 1.44 0.00 -0.57 -1.14 121.76 120.54 2w29 s ALA 69 Ca 0.15 -0.67 -0.14 0.00 0.00 0.00 0.00 51.96 51.30 2w29 s ALA 69 Cb -0.10 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 2w29 s ALA 69 CO 0.06 -0.30 0.38 -0.06 0.00 0.00 0.00 175.76 175.84 2w29 s PHE 70 N -2.62 3.70 -0.19 0.00 0.40 0.47 -1.71 117.98 118.03 2w29 s PHE 70 Ca -0.05 0.93 0.00 0.00 -0.60 0.00 0.00 56.93 57.21 2w29 s PHE 70 Cb -0.01 -2.26 0.05 0.00 0.51 0.00 0.00 43.02 41.31 2w29 s PHE 70 CO -0.05 0.63 -0.07 0.54 0.70 0.00 0.00 175.22 176.97 2w29 s VAL 71 N -0.99 1.38 0.16 -0.44 0.11 0.13 -0.45 120.40 120.29 2w29 s VAL 71 Ca 0.23 -0.87 -0.28 0.00 -2.93 0.00 0.00 61.98 58.12 2w29 s VAL 71 Cb -0.16 -1.53 -0.07 0.00 -1.53 0.00 0.00 36.38 33.08 2w29 s VAL 71 CO 0.12 0.10 0.88 0.00 -3.33 0.00 0.00 175.10 172.87 2w29 s ALA 72 N 1.51 3.35 0.01 1.54 0.00 0.56 -0.35 121.76 128.37 2w29 s ALA 72 Ca -0.01 0.49 0.05 0.00 0.00 0.00 0.00 51.96 52.49 2w29 s ALA 72 Cb -0.16 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 2w29 s ALA 72 CO -0.08 0.15 -0.16 0.96 0.00 0.00 0.00 175.76 176.64 2w29 s ILE 73 N -0.71 1.24 -0.06 0.00 -4.36 0.08 -0.92 121.20 116.46 2w29 s ILE 73 Ca 0.41 -0.79 0.00 0.00 -0.26 0.00 0.00 60.65 60.01 2w29 s ILE 73 Cb -0.24 -1.06 0.02 0.00 1.25 0.00 0.00 42.46 42.44 2w29 s ILE 73 CO 0.29 0.25 -0.03 0.28 0.24 0.00 0.00 174.94 175.97 2w29 s THR 74 N -0.51 0.52 0.21 8.37 -1.32 -0.84 -1.28 115.64 120.79 2w29 s THR 74 Ca 0.05 -0.05 -0.32 0.00 -1.21 0.00 0.00 61.69 60.16 2w29 s THR 74 Cb -0.07 -0.60 -0.14 0.00 -1.51 0.00 0.00 72.50 70.19 2w29 s THR 74 CO 0.00 0.25 1.33 -2.65 -2.21 0.00 0.00 174.62 171.34 2w29 n PRO 75 N 4.53 1.74 -0.26 7.08 -0.02 -1.26 -0.74 135.00 146.07 2w29 n PRO 75 Ca -0.17 0.62 -0.02 0.00 -2.02 0.00 0.00 63.50 61.91 2w29 n PRO 75 Cb 0.50 -2.23 0.17 0.00 -0.02 0.00 0.00 33.50 31.92 2w29 n PRO 75 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2w29 h LEU 76 N 3.98 0.98 -7.46 2.45 3.38 -1.62 -3.36 115.31 113.65 2w29 h LEU 76 Ca -0.44 -0.07 -0.64 0.00 0.09 0.00 0.00 57.88 56.81 2w29 h LEU 76 Cb 1.30 -0.25 -0.40 0.00 0.09 0.00 0.00 40.66 41.40 2w29 h LEU 76 CO 0.74 0.77 -0.68 -0.62 0.09 0.00 0.00 178.44 178.75 2w29 s ASP 77 N -6.33 4.43 0.00 -0.43 2.15 -1.26 -5.00 116.67 110.23 2w29 s ASP 77 Ca -0.12 -2.58 0.22 0.00 0.43 0.00 0.00 52.55 50.50 2w29 s ASP 77 Cb 0.17 -1.55 1.27 0.00 -0.30 0.00 0.00 42.92 42.51 2w29 s ASP 77 CO 0.81 -0.30 1.67 -0.81 -0.17 0.00 0.00 175.17 176.36 2w29 n PRO 78 N 3.67 0.65 0.09 4.34 -0.04 -1.26 -3.66 135.00 138.79 2w29 n PRO 78 Ca 0.05 0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.29 2w29 n PRO 78 Cb 0.37 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.20 2w29 n PRO 78 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2w29 h SER 79 N 0.00 0.88 -2.80 3.54 4.64 -1.96 -3.44 113.55 114.40 2w29 h SER 79 Ca 0.00 -0.83 -0.56 0.00 -0.47 0.00 0.00 61.79 59.94 2w29 h SER 79 Cb 0.01 -0.28 0.08 0.00 -0.31 0.00 0.00 62.40 61.90 2w29 h SER 79 CO 0.00 1.61 0.80 0.00 -0.87 0.00 0.00 176.83 178.37 2w29 n GLN 80 N -3.80 2.40 -1.66 4.77 6.02 -1.24 -4.95 117.38 118.91 2w29 n GLN 80 Ca -0.14 0.86 -0.41 0.00 -0.01 0.00 0.00 57.00 57.30 2w29 n GLN 80 Cb 0.98 -2.61 0.01 0.00 1.02 0.00 0.00 30.24 29.65 2w29 n GLN 80 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 2w29 n PRO 81 N 2.62 1.65 -3.41 -1.09 -0.02 -1.26 -4.84 135.00 128.64 2w29 n PRO 81 Ca 0.12 0.59 -0.38 0.00 -2.02 0.00 0.00 63.50 61.81 2w29 n PRO 81 Cb 0.33 -2.23 -0.08 0.00 -0.02 0.00 0.00 33.50 31.51 2w29 n PRO 81 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2w29 s ASP 82 N -0.65 6.42 0.00 2.55 2.15 -1.26 -4.97 116.67 120.92 2w29 s ASP 82 Ca 0.62 0.50 0.23 0.00 0.43 0.00 0.00 52.55 54.34 2w29 s ASP 82 Cb -0.53 -2.22 0.21 0.00 -0.30 0.00 0.00 42.92 40.08 2w29 s ASP 82 CO 0.57 -0.05 1.20 0.47 -0.17 0.00 0.00 175.17 177.19 2w29 n ASP 83 N 4.38 0.70 -0.13 -0.34 8.00 -1.26 -4.88 116.55 123.02 2w29 n ASP 83 Ca -0.09 -0.54 -0.10 0.00 0.71 0.00 0.00 54.79 54.77 2w29 n ASP 83 Cb 0.51 0.56 -0.02 0.00 -0.02 0.00 0.00 41.12 42.15 2w29 n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2w29 h ALA 84 N 2.99 0.49 -0.93 2.24 0.00 -1.93 -1.95 119.26 120.16 2w29 h ALA 84 Ca 0.00 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.79 2w29 h ALA 84 Cb 0.51 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 2w29 h ALA 84 CO 0.00 0.17 0.59 -1.35 0.00 0.00 0.00 179.25 178.66 2w29 h PRO 85 N 0.45 1.03 0.04 0.00 0.11 -1.98 0.17 132.00 131.83 2w29 h PRO 85 Ca 0.12 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 2w29 h PRO 85 Cb 0.32 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.19 2w29 h PRO 85 CO 0.00 0.68 -0.02 0.00 -0.21 0.00 0.00 178.00 178.46 2w29 h ALA 86 N 1.44 -0.06 0.00 -0.75 0.00 -1.78 -2.17 119.26 115.94 2w29 h ALA 86 Ca 0.41 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2w29 h ALA 86 Cb 0.19 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2w29 h ALA 86 CO -0.18 -0.38 -0.07 0.00 0.00 0.00 0.00 179.25 178.62 2w29 h ARG 87 N -0.36 0.00 -0.02 0.00 3.08 -1.16 -2.78 114.38 113.15 2w29 h ARG 87 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2w29 h ARG 87 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2w29 h ARG 87 CO 0.01 0.07 -0.09 1.28 -1.07 0.00 0.00 179.97 180.17 2w29 n LEU 88 N -3.95 2.00 0.24 3.04 4.77 0.03 -4.21 117.00 118.92 2w29 n LEU 88 Ca -0.03 -0.67 0.09 0.00 -0.03 0.00 0.00 56.01 55.37 2w29 n LEU 88 Cb 0.16 -0.02 0.58 0.00 -2.33 0.00 0.00 43.42 41.82 2w29 n LEU 88 CO 0.31 0.34 0.90 -0.08 -1.33 0.00 0.00 177.39 177.53 2w29 h GLU 89 N 3.00 0.00 -0.00 3.23 4.81 -1.10 -1.90 114.58 122.63 2w29 h GLU 89 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2w29 h GLU 89 Cb 0.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 2w29 h GLU 89 CO 0.00 0.19 -0.56 -2.39 -0.73 0.00 0.00 179.01 175.52 2w29 n HIS 90 N -3.91 0.00 -2.49 0.92 1.44 -1.26 -4.66 115.22 105.26 2w29 n HIS 90 Ca -0.02 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.26 2w29 n HIS 90 Cb 0.28 -0.21 -0.02 0.00 0.12 0.00 0.00 29.99 30.16 2w29 n HIS 90 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2w29 s ILE 91 N -2.98 4.34 -0.03 0.61 1.01 -0.71 -4.94 121.20 118.50 2w29 s ILE 91 Ca 0.11 1.58 0.13 0.00 0.00 0.00 0.00 60.65 62.47 2w29 s ILE 91 Cb 0.17 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 2w29 s ILE 91 CO 0.72 -0.29 1.42 -0.33 0.00 0.00 0.00 174.94 176.46 2w29 h GLU 92 N 8.37 0.00 -0.02 2.79 5.08 -1.85 -2.67 114.58 126.28 2w29 h GLU 92 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2w29 h GLU 92 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2w29 h GLU 92 CO 1.00 0.66 0.00 -0.85 -1.00 0.00 0.00 179.01 178.81 2w29 n GLU 93 N -3.31 1.09 -2.76 2.33 0.00 -1.26 -4.53 120.64 112.19 2w29 n GLU 93 Ca 0.01 -0.13 -0.43 0.00 0.00 0.00 0.00 57.16 56.61 2w29 n GLU 93 Cb 0.78 -1.35 -0.03 0.00 0.00 0.00 0.00 31.44 30.84 2w29 n GLU 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2w29 s VAL 94 N -1.98 4.56 -0.09 3.84 0.11 -1.01 -2.53 120.40 123.31 2w29 s VAL 94 Ca 0.33 1.34 0.04 0.00 -2.93 0.00 0.00 61.98 60.76 2w29 s VAL 94 Cb 0.15 -4.35 -0.24 0.00 -1.53 0.00 0.00 36.38 30.41 2w29 s VAL 94 CO 0.26 -0.52 0.49 1.21 -3.33 0.00 0.00 175.10 173.20 2w29 n GLU 95 N 6.80 0.69 -3.87 1.54 2.13 -0.46 -4.97 120.64 122.51 2w29 n GLU 95 Ca 0.08 0.27 -0.10 0.00 0.66 0.00 0.00 57.16 58.07 2w29 n GLU 95 Cb 0.48 -1.74 -0.09 0.00 0.27 0.00 0.00 31.44 30.36 2w29 n GLU 95 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2w29 s SER 96 N -6.52 0.07 -0.14 4.31 0.01 -1.18 -4.98 113.70 105.27 2w29 s SER 96 Ca -0.14 -0.38 -0.04 0.00 1.31 0.00 0.00 55.95 56.71 2w29 s SER 96 Cb 0.07 0.26 0.07 0.00 0.21 0.00 0.00 66.02 66.63 2w29 s SER 96 CO 0.79 -0.52 0.19 0.00 0.41 0.00 0.00 173.24 174.12 2w29 s TYR 98 N 2.31 2.37 0.27 0.00 1.51 -0.19 -4.99 117.35 118.62 2w29 s TYR 98 Ca 0.04 -0.38 -0.02 0.00 -1.01 0.00 0.00 57.07 55.69 2w29 s TYR 98 Cb -0.14 -1.41 -0.04 0.00 -0.11 0.00 0.00 41.96 40.26 2w29 s TYR 98 CO -0.09 0.15 0.49 -1.54 -1.11 0.00 0.00 175.55 173.45 2w29 s SER 99 N -1.27 6.39 0.04 2.29 1.04 -1.26 -0.58 113.70 120.36 2w29 s SER 99 Ca 0.12 0.54 -0.05 0.00 0.48 0.00 0.00 55.95 57.04 2w29 s SER 99 Cb -0.10 -2.07 -0.01 0.00 0.10 0.00 0.00 66.02 63.94 2w29 s SER 99 CO 0.03 -0.16 0.10 0.54 0.98 0.00 0.00 173.24 174.72 2w29 s VAL 100 N -2.05 0.14 0.70 5.02 0.11 -0.31 -4.89 120.40 119.13 2w29 s VAL 100 Ca 0.41 -1.16 -0.06 0.00 -2.93 0.00 0.00 61.98 58.24 2w29 s VAL 100 Cb -0.11 -0.98 0.06 0.00 -1.53 0.00 0.00 36.38 33.82 2w29 s VAL 100 CO 0.31 -0.64 1.00 0.00 -3.33 0.00 0.00 175.10 172.44 2w29 s ALA 101 N -2.83 3.20 0.00 1.54 0.00 -1.26 -4.71 121.76 117.70 2w29 s ALA 101 Ca -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.96 2w29 s ALA 101 Cb 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.56 2w29 s ALA 101 CO -0.06 -1.28 0.00 2.41 0.00 0.00 0.00 175.76 176.83 2w29 n THR 102 N -2.89 0.00 -0.07 0.00 -1.04 -1.26 -4.61 114.28 104.41 2w29 n THR 102 Ca 0.08 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.95 2w29 n THR 102 Cb 0.60 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.97 2w29 n THR 102 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2w29 n GLU 103 N 0.48 0.68 -2.78 -2.82 2.13 -1.26 -4.87 120.64 112.21 2w29 n GLU 103 Ca 0.00 0.16 -0.25 0.00 0.66 0.00 0.00 57.16 57.73 2w29 n GLU 103 Cb 0.00 -1.63 0.02 0.00 0.27 0.00 0.00 31.44 30.10 2w29 n GLU 103 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2w29 s GLU 104 N -2.54 3.08 -0.21 5.31 2.02 -1.26 -5.01 118.70 120.09 2w29 s GLU 104 Ca -0.17 -0.26 -0.02 0.00 0.02 0.00 0.00 54.97 54.54 2w29 s GLU 104 Cb 0.07 -2.45 -0.20 0.00 0.10 0.00 0.00 34.13 31.65 2w29 s GLU 104 CO 0.76 -0.39 -0.03 0.43 0.02 0.00 0.00 175.26 176.05 2w29 n SER 105 N -2.25 2.03 -4.12 -0.19 7.64 -0.40 -4.66 113.62 111.67 2w29 n SER 105 Ca 0.02 -0.01 -0.13 0.00 1.01 0.00 0.00 58.87 59.77 2w29 n SER 105 Cb 0.57 -0.58 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 2w29 n SER 105 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2w29 s TYR 106 N -2.53 0.84 -0.11 1.43 2.02 -0.61 -1.16 117.35 117.24 2w29 s TYR 106 Ca -0.31 -0.65 0.02 0.00 -0.37 0.00 0.00 57.07 55.77 2w29 s TYR 106 Cb 0.08 -0.49 -0.01 0.00 -0.40 0.00 0.00 41.96 41.15 2w29 s TYR 106 CO 0.65 -0.08 -0.18 0.08 -1.57 0.00 0.00 175.55 174.45 2w29 s VAL 107 N -2.23 2.58 0.05 0.71 1.01 0.25 -0.74 120.40 122.04 2w29 s VAL 107 Ca -0.00 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.17 2w29 s VAL 107 Cb -0.04 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2w29 s VAL 107 CO -0.01 0.55 0.03 -0.76 0.00 0.00 0.00 175.10 174.90 2w29 s LEU 108 N 0.23 3.60 -0.09 3.92 1.43 0.52 -1.02 118.68 127.27 2w29 s LEU 108 Ca -0.12 -0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 2w29 s LEU 108 Cb -0.16 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 2w29 s LEU 108 CO 0.06 0.21 0.02 -0.22 0.23 0.00 0.00 176.35 176.65 2w29 s LEU 109 N -2.06 3.66 0.00 1.79 2.96 -0.85 -0.69 118.68 123.49 2w29 s LEU 109 Ca 0.25 0.17 -0.00 0.00 -0.22 0.00 0.00 54.13 54.33 2w29 s LEU 109 Cb -0.12 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 2w29 s LEU 109 CO 0.17 0.38 -0.00 0.54 -1.32 0.00 0.00 176.35 176.11 2w29 s VAL 110 N -0.87 0.04 0.03 1.68 0.11 -0.69 -1.35 120.40 119.34 2w29 s VAL 110 Ca 0.13 -0.31 0.04 0.00 -2.93 0.00 0.00 61.98 58.91 2w29 s VAL 110 Cb -0.11 -0.11 -0.02 0.00 -1.53 0.00 0.00 36.38 34.61 2w29 s VAL 110 CO 0.02 -0.17 -0.11 -0.13 -3.33 0.00 0.00 175.10 171.39 2w29 s ARG 111 N -0.50 0.76 0.11 1.54 0.52 -1.05 -1.51 118.95 118.82 2w29 s ARG 111 Ca -0.05 -0.60 -0.15 0.00 -0.52 0.00 0.00 55.73 54.40 2w29 s ARG 111 Cb -0.03 -0.71 0.03 0.00 0.52 0.00 0.00 34.95 34.76 2w29 s ARG 111 CO -0.00 0.18 0.38 0.54 0.02 0.00 0.00 175.30 176.41 2w29 s VAL 112 N -0.74 0.08 0.11 3.52 0.11 -0.19 -4.77 120.40 118.52 2w29 s VAL 112 Ca -0.00 -0.64 0.14 0.00 -2.93 0.00 0.00 61.98 58.55 2w29 s VAL 112 Cb -0.07 -1.17 0.01 0.00 -1.53 0.00 0.00 36.38 33.63 2w29 s VAL 112 CO 0.01 -0.35 1.55 0.00 -3.33 0.00 0.00 175.10 172.98 2w29 h ALA 113 N 2.47 0.79 -2.51 1.54 0.00 -1.85 -1.43 119.26 118.27 2w29 h ALA 113 Ca -0.34 -0.53 0.15 0.00 0.00 0.00 0.00 54.91 54.19 2w29 h ALA 113 Cb 1.25 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 2w29 h ALA 113 CO 0.48 0.73 0.53 -1.54 0.00 0.00 0.00 179.25 179.44 2w29 s SER 114 N -6.59 -0.05 0.15 0.00 1.04 -1.26 -4.04 113.70 102.95 2w29 s SER 114 Ca 0.01 -0.63 -0.17 0.00 0.48 0.00 0.00 55.95 55.64 2w29 s SER 114 Cb 0.10 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.78 2w29 s SER 114 CO 0.74 -1.03 1.77 0.00 0.98 0.00 0.00 173.24 175.71 2w29 h ALA 115 N 2.00 0.42 -0.27 5.32 0.00 -1.99 0.44 119.26 125.17 2w29 h ALA 115 Ca -0.27 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2w29 h ALA 115 Cb 1.22 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2w29 h ALA 115 CO 0.33 -0.22 -0.05 0.00 0.00 0.00 0.00 179.25 179.31 2w29 h ARG 116 N 0.34 0.43 0.00 0.00 2.47 -2.01 -0.18 114.38 115.43 2w29 h ARG 116 Ca 0.15 -0.10 -0.09 0.00 -1.26 0.00 0.00 59.98 58.69 2w29 h ARG 116 Cb 0.07 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 2w29 h ARG 116 CO -0.11 0.50 -0.41 0.00 0.56 0.00 0.00 179.97 180.51 2w29 h ALA 117 N 1.54 1.00 -0.23 0.04 0.00 -1.68 -2.97 119.26 116.96 2w29 h ALA 117 Ca 0.09 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2w29 h ALA 117 Cb 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2w29 h ALA 117 CO 0.02 0.51 0.03 1.25 0.00 0.00 0.00 179.25 181.05 2w29 h LEU 118 N 0.00 0.37 -1.23 0.00 5.85 0.85 -1.05 115.31 120.11 2w29 h LEU 118 Ca -0.00 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 2w29 h LEU 118 Cb 0.92 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 2w29 h LEU 118 CO 0.05 0.55 0.25 1.05 -0.34 0.00 0.00 178.44 180.01 2w29 h GLU 119 N 0.18 0.79 -0.48 1.25 4.11 -1.26 -0.75 114.58 118.41 2w29 h GLU 119 Ca 0.07 -0.10 -0.03 0.00 0.07 0.00 0.00 59.36 59.36 2w29 h GLU 119 Cb 0.35 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2w29 h GLU 119 CO 0.01 0.62 0.18 0.22 0.07 0.00 0.00 179.01 180.11 2w29 h ASP 120 N 0.78 0.67 -0.81 3.06 1.82 -1.46 -2.24 116.42 118.23 2w29 h ASP 120 Ca 0.19 -0.18 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 2w29 h ASP 120 Cb 0.11 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 39.91 2w29 h ASP 120 CO -0.02 0.66 0.49 0.25 -1.61 0.00 0.00 179.24 179.01 2w29 h LEU 121 N 0.63 0.98 -0.65 2.28 5.85 -0.35 -2.13 115.31 121.92 2w29 h LEU 121 Ca 0.16 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2w29 h LEU 121 Cb 0.21 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 2w29 h LEU 121 CO -0.01 0.76 0.42 -0.07 -0.34 0.00 0.00 178.44 179.19 2w29 h LEU 122 N 1.13 0.76 -0.33 2.25 3.38 -0.82 0.37 115.31 122.06 2w29 h LEU 122 Ca 0.29 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.27 2w29 h LEU 122 Cb -0.04 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 2w29 h LEU 122 CO -0.05 0.57 0.09 1.56 0.09 0.00 0.00 178.44 180.70 2w29 h GLN 123 N 0.89 0.22 -0.84 1.13 4.20 -1.19 0.27 115.11 119.78 2w29 h GLN 123 Ca 0.24 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 2w29 h GLN 123 Cb -0.07 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.62 2w29 h GLN 123 CO -0.05 0.14 0.40 0.00 -0.67 0.00 0.00 178.83 178.66 2w29 h ARG 124 N 0.23 1.21 -0.12 1.46 3.08 -0.59 -0.21 114.38 119.44 2w29 h ARG 124 Ca 0.15 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2w29 h ARG 124 Cb 0.14 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 2w29 h ARG 124 CO -0.17 0.93 0.02 0.82 -1.07 0.00 0.00 179.97 180.50 2w29 h ILE 125 N 1.20 1.22 -0.72 2.04 2.04 0.24 -0.60 117.51 122.93 2w29 h ILE 125 Ca 0.29 -0.69 0.10 0.00 1.00 0.00 0.00 64.86 65.55 2w29 h ILE 125 Cb 0.12 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 2w29 h ILE 125 CO -0.04 0.20 0.36 0.03 0.00 0.00 0.00 178.15 178.70 2w29 h ARG 126 N -0.03 0.58 0.13 2.37 3.08 0.22 -1.80 114.38 118.94 2w29 h ARG 126 Ca 0.04 -0.03 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 2w29 h ARG 126 Cb 0.29 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.23 2w29 h ARG 126 CO 0.00 0.38 -1.24 0.00 -1.07 0.00 0.00 179.97 178.05 2w29 h THR 127 N 0.60 1.41 0.00 2.04 1.03 -0.88 -1.11 112.91 116.00 2w29 h THR 127 Ca 0.36 -2.81 -0.10 0.00 -0.01 0.00 0.00 66.41 63.84 2w29 h THR 127 Cb 0.39 2.84 -0.01 0.00 -1.07 0.00 0.00 68.15 70.30 2w29 h THR 127 CO -0.28 0.83 -0.48 0.00 -0.01 0.00 0.00 175.52 175.58 2w29 h THR 128 N 0.14 0.92 -0.01 0.00 1.03 -0.87 -3.23 112.91 110.90 2w29 h THR 128 Ca -0.16 -2.01 0.00 0.00 -0.01 0.00 0.00 66.41 64.24 2w29 h THR 128 Cb 1.94 2.25 0.00 0.00 -1.07 0.00 0.00 68.15 71.26 2w29 h THR 128 CO 0.22 0.47 -0.52 0.00 -0.01 0.00 0.00 175.52 175.68 2w29 n ALA 129 N -2.26 3.56 -2.66 0.00 0.00 -0.70 -4.89 120.51 113.57 2w29 n ALA 129 Ca 0.01 -0.48 -0.06 0.00 0.00 0.00 0.00 53.44 52.90 2w29 n ALA 129 Cb 0.66 -0.55 0.03 0.00 0.00 0.00 0.00 19.45 19.58 2w29 n ALA 129 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2w29 n ASN 130 N -0.72 -5.52 -3.91 0.00 4.05 -0.45 -4.88 115.26 103.84 2w29 n ASN 130 Ca 0.05 -0.32 -0.10 0.00 0.45 0.00 0.00 54.58 54.66 2w29 n ASN 130 Cb 0.29 -3.84 -0.10 0.00 1.23 0.00 0.00 39.78 37.36 2w29 n ASN 130 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2w29 s VAL 131 N -3.16 0.10 0.40 3.44 0.11 -1.06 -1.61 120.40 118.61 2w29 s VAL 131 Ca 0.19 -0.82 -0.04 0.00 -2.93 0.00 0.00 61.98 58.38 2w29 s VAL 131 Cb -0.03 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 2w29 s VAL 131 CO 0.51 -0.45 0.67 0.00 -3.33 0.00 0.00 175.10 172.50 2w29 s ARG 132 N -1.64 3.57 0.09 1.54 1.70 0.09 -4.59 118.95 119.70 2w29 s ARG 132 Ca -0.13 0.04 0.08 0.00 -0.47 0.00 0.00 55.73 55.25 2w29 s ARG 132 Cb -0.07 -2.51 -0.03 0.00 -0.57 0.00 0.00 34.95 31.77 2w29 s ARG 132 CO -0.00 -0.00 -0.21 0.95 -1.08 0.00 0.00 175.30 174.96 2w29 s THR 133 N -2.45 1.70 -0.13 4.99 -4.23 -1.26 -1.99 115.64 112.28 2w29 s THR 133 Ca 0.45 -1.45 -0.01 0.00 -1.18 0.00 0.00 61.69 59.50 2w29 s THR 133 Cb -0.10 -1.53 0.04 0.00 1.34 0.00 0.00 72.50 72.24 2w29 s THR 133 CO 0.38 0.01 -0.03 -0.60 -0.54 0.00 0.00 174.62 173.84 2w29 s ARG 134 N -1.72 1.11 -0.11 3.99 3.52 -0.10 -4.99 118.95 120.65 2w29 s ARG 134 Ca 0.07 -0.24 -0.06 0.00 -0.13 0.00 0.00 55.73 55.37 2w29 s ARG 134 Cb -0.10 -1.59 -0.04 0.00 -1.56 0.00 0.00 34.95 31.66 2w29 s ARG 134 CO 0.04 -0.37 0.10 -1.12 -0.81 0.00 0.00 175.30 173.13 2w29 s SER 135 N 1.79 6.04 -0.28 -2.12 0.01 -1.26 -0.32 113.70 117.56 2w29 s SER 135 Ca 0.03 0.36 0.02 0.00 1.31 0.00 0.00 55.95 57.67 2w29 s SER 135 Cb -0.14 -1.90 0.08 0.00 0.21 0.00 0.00 66.02 64.27 2w29 s SER 135 CO -0.07 0.39 0.00 -0.89 0.41 0.00 0.00 173.24 173.08 2w29 s THR 136 N -0.91 1.69 0.41 1.44 2.01 0.40 -4.98 115.64 115.71 2w29 s THR 136 Ca 0.14 -1.64 -0.27 0.00 0.31 0.00 0.00 61.69 60.24 2w29 s THR 136 Cb -0.12 -2.09 -0.10 0.00 0.01 0.00 0.00 72.50 70.21 2w29 s THR 136 CO 0.03 -0.36 1.43 -0.63 -0.69 0.00 0.00 174.62 174.41 2w29 s ILE 137 N 1.26 2.15 -0.19 1.82 -1.09 -1.26 -0.40 121.20 123.48 2w29 s ILE 137 Ca 0.02 0.14 -0.15 0.00 -2.23 0.00 0.00 60.65 58.43 2w29 s ILE 137 Cb -0.19 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.56 2w29 s ILE 137 CO -0.10 0.03 0.34 -0.63 -1.23 0.00 0.00 174.94 173.35 2w29 s ILE 138 N -1.17 5.24 -0.08 2.92 1.01 -0.29 -4.89 121.20 123.94 2w29 s ILE 138 Ca 0.56 0.61 -0.03 0.00 0.00 0.00 0.00 60.65 61.79 2w29 s ILE 138 Cb -0.44 -3.68 -0.26 0.00 0.01 0.00 0.00 42.46 38.09 2w29 s ILE 138 CO 0.58 0.30 0.53 -0.07 0.00 0.00 0.00 174.94 176.28 2w29 h LEU 139 N 7.38 0.35 -7.16 2.97 3.38 -1.95 -3.41 115.31 116.87 2w29 h LEU 139 Ca -0.38 -0.71 -0.08 0.00 0.09 0.00 0.00 57.88 56.80 2w29 h LEU 139 Cb 1.16 -0.12 -0.22 0.00 0.09 0.00 0.00 40.66 41.58 2w29 h LEU 139 CO 0.72 1.63 -0.05 0.21 0.09 0.00 0.00 178.44 181.04 2w29 s ASN 140 N -6.87 -0.57 -0.41 -0.43 2.47 -1.26 -5.11 114.94 102.76 2w29 s ASN 140 Ca -0.16 1.05 -0.15 0.00 0.42 0.00 0.00 52.86 54.01 2w29 s ASN 140 Cb 0.07 1.06 0.02 0.00 -1.45 0.00 0.00 41.25 40.94 2w29 s ASN 140 CO 0.80 -0.24 0.30 -0.89 -3.72 0.00 0.00 177.10 173.34 2w29 s THR 141 N 0.09 5.25 0.03 -5.21 2.01 -1.26 -4.97 115.64 111.59 2w29 s THR 141 Ca -0.02 -0.64 -0.16 0.00 0.31 0.00 0.00 61.69 61.18 2w29 s THR 141 Cb -0.04 -3.91 -0.29 0.00 0.01 0.00 0.00 72.50 68.27 2w29 s THR 141 CO 0.02 -0.29 1.07 -0.26 -0.69 0.00 0.00 174.62 174.47 2w29 h PHE 142 N 8.62 0.92 -2.01 4.92 0.04 -2.06 -3.47 116.94 123.90 2w29 h PHE 142 Ca -0.27 -0.58 -0.04 0.00 2.80 0.00 0.00 57.97 59.88 2w29 h PHE 142 Cb 1.12 -0.07 -0.19 0.00 2.20 0.00 0.00 35.95 39.01 2w29 h PHE 142 CO 0.56 1.42 0.24 1.52 -0.60 0.00 0.00 178.31 181.45 2w29 s TYR 143 N -2.94 -0.61 0.24 -0.55 1.13 -1.26 -5.20 117.35 108.16 2w29 s TYR 143 Ca -0.10 1.01 -0.05 0.00 -1.41 0.00 0.00 57.07 56.52 2w29 s TYR 143 Cb 0.05 0.43 -0.02 0.00 -1.10 0.00 0.00 41.96 41.31 2w29 s TYR 143 CO 0.91 -0.59 0.31 -1.54 -2.51 0.00 0.00 175.55 172.12 2w29 s SER 144 N -1.29 0.28 -1.38 -0.18 1.04 -1.26 -4.91 113.70 106.00 2w29 s SER 144 Ca -0.09 -1.27 -0.14 0.00 0.48 0.00 0.00 55.95 54.93 2w29 s SER 144 Cb -0.00 0.50 0.13 0.00 0.10 0.00 0.00 66.02 66.75 2w29 s SER 144 CO 0.07 -1.02 0.54 0.47 0.98 0.00 0.00 173.24 174.28 2w29 n ASP 145 N -0.55 -2.85 -4.51 7.02 8.00 -1.26 -4.88 116.55 117.52 2w29 n ASP 145 Ca 0.01 -0.64 -0.42 0.00 0.71 0.00 0.00 54.79 54.45 2w29 n ASP 145 Cb 0.64 -2.39 -0.03 0.00 -0.02 0.00 0.00 41.12 39.32 2w29 n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2w29 s ARG 146 N -6.42 3.47 0.26 -1.24 1.70 -1.26 -4.97 118.95 110.49 2w29 s ARG 146 Ca 0.55 -1.13 -0.30 0.00 -0.47 0.00 0.00 55.73 54.38 2w29 s ARG 146 Cb -0.30 -4.91 -0.09 0.00 -0.57 0.00 0.00 34.95 29.07 2w29 s ARG 146 CO 0.67 -2.03 1.07 -0.65 -1.08 0.00 0.00 175.30 173.28 2w29 s GLN 147 N 4.34 4.68 -0.20 3.89 -0.21 -1.26 -5.02 119.66 125.89 2w29 s GLN 147 Ca 0.38 1.73 0.01 0.00 0.02 0.00 0.00 55.36 57.50 2w29 s GLN 147 Cb -0.05 -3.22 0.04 0.00 1.00 0.00 0.00 33.01 30.78 2w29 s GLN 147 CO -0.04 0.27 -0.14 -1.58 -2.12 0.00 0.00 175.29 171.68 2w29 s HIS 148 N -1.09 2.65 -0.38 0.91 5.65 -1.26 -5.00 115.29 116.77 2w29 s HIS 148 Ca 0.44 -1.68 -0.11 0.00 0.25 0.00 0.00 55.06 53.95 2w29 s HIS 148 Cb -0.30 -1.77 0.03 0.00 -1.18 0.00 0.00 32.58 29.35 2w29 s HIS 148 CO 0.39 -0.78 0.21 0.42 -0.65 0.00 0.00 174.74 174.33 2w29 s ILE 149 N 1.32 4.61 -2.56 0.89 1.09 -1.26 -5.16 121.20 120.13 2w29 s ILE 149 Ca 0.00 -0.85 0.28 0.00 -1.10 0.00 0.00 60.65 58.98 2w29 s ILE 149 Cb -0.15 -3.57 0.51 0.00 -1.06 0.00 0.00 42.46 38.18 2w29 s ILE 149 CO -0.10 -0.24 1.69 -0.81 -0.10 0.00 0.00 174.94 175.38