#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xw4 h MET 31 N 0.00 0.00 -5.36 -0.41 2.07 -2.15 -3.49 114.93 105.60 1xw4 h MET 31 Ca 0.00 0.00 -0.40 0.00 -2.07 0.00 0.00 59.70 57.23 1xw4 h MET 31 Cb 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 31.60 29.58 1xw4 h MET 31 CO 0.00 0.00 -0.73 -1.12 1.07 0.00 0.00 176.91 176.13 1xw4 s SER 32 N -5.87 2.22 0.35 1.22 0.01 -1.26 -5.16 113.70 105.21 1xw4 s SER 32 Ca 0.07 -1.00 0.05 0.00 1.31 0.00 0.00 55.95 56.37 1xw4 s SER 32 Cb 0.07 -0.08 -0.07 0.00 0.21 0.00 0.00 66.02 66.15 1xw4 s SER 32 CO 0.67 -0.23 0.04 0.27 0.41 0.00 0.00 173.24 174.39 1xw4 s ILE 33 N -3.07 1.46 -0.14 1.44 -5.25 -1.26 -5.14 121.20 109.24 1xw4 s ILE 33 Ca 0.19 -2.00 -0.05 0.00 -0.99 0.00 0.00 60.65 57.80 1xw4 s ILE 33 Cb 0.00 -2.85 -0.03 0.00 2.95 0.00 0.00 42.46 42.53 1xw4 s ILE 33 CO 0.04 -0.01 0.02 -2.28 -1.79 0.00 0.00 174.94 170.92 1xw4 s HIS 34 N -3.11 3.19 0.05 1.37 2.46 -1.26 -5.11 115.29 112.88 1xw4 s HIS 34 Ca 0.36 0.05 0.03 0.00 0.47 0.00 0.00 55.06 55.97 1xw4 s HIS 34 Cb 0.09 -1.94 -0.02 0.00 -0.13 0.00 0.00 32.58 30.57 1xw4 s HIS 34 CO 0.16 0.25 -0.09 -1.54 -2.47 0.00 0.00 174.74 171.05 1xw4 s SER 35 N -0.13 1.06 0.06 9.88 1.04 -1.26 -5.14 113.70 119.20 1xw4 s SER 35 Ca 0.05 -0.55 -0.03 0.00 0.48 0.00 0.00 55.95 55.91 1xw4 s SER 35 Cb -0.12 0.01 0.01 0.00 0.10 0.00 0.00 66.02 66.02 1xw4 s SER 35 CO 0.02 -0.16 0.14 0.61 0.98 0.00 0.00 173.24 174.82 1xw4 n GLY 36 N 1.48 1.73 3.77 7.32 0.00 -1.26 -5.15 105.19 113.09 1xw4 n GLY 36 Ca -0.22 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.41 1xw4 n GLY 36 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xw4 s ARG 37 N -2.01 3.50 0.14 1.61 1.70 -1.26 -4.98 118.95 117.64 1xw4 s ARG 37 Ca 0.03 1.68 -0.30 0.00 -0.47 0.00 0.00 55.73 56.66 1xw4 s ARG 37 Cb -0.01 -2.15 -0.07 0.00 -0.57 0.00 0.00 34.95 32.15 1xw4 s ARG 37 CO 0.02 -0.74 1.08 0.42 -1.08 0.00 0.00 175.30 175.00 1xw4 s ILE 38 N -1.68 4.07 -0.02 4.99 1.01 -1.26 -4.91 121.20 123.39 1xw4 s ILE 38 Ca 0.69 1.70 0.02 0.00 0.00 0.00 0.00 60.65 63.07 1xw4 s ILE 38 Cb -0.26 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.13 1xw4 s ILE 38 CO 0.30 0.25 -0.08 0.00 0.00 0.00 0.00 174.94 175.41 1xw4 s ALA 39 N 0.08 0.76 -0.04 9.38 0.00 -1.26 -1.49 121.76 129.19 1xw4 s ALA 39 Ca 0.50 -0.29 -0.03 0.00 0.00 0.00 0.00 51.96 52.15 1xw4 s ALA 39 Cb -0.28 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.57 1xw4 s ALA 39 CO 0.33 0.12 0.09 0.00 0.00 0.00 0.00 175.76 176.30 1xw4 s ALA 40 N 0.18 -0.21 0.13 0.00 0.00 -1.02 -4.97 121.76 115.87 1xw4 s ALA 40 Ca -0.02 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 51.92 1xw4 s ALA 40 Cb -0.08 -0.18 -0.06 0.00 0.00 0.00 0.00 23.12 22.80 1xw4 s ALA 40 CO 0.00 -0.05 0.95 0.08 0.00 0.00 0.00 175.76 176.74 1xw4 s VAL 41 N 0.19 4.43 0.04 0.00 1.01 -1.26 -0.26 120.40 124.55 1xw4 s VAL 41 Ca -0.01 2.07 -0.05 0.00 0.00 0.00 0.00 61.98 63.99 1xw4 s VAL 41 Cb -0.02 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 1xw4 s VAL 41 CO -0.01 0.35 0.07 -1.00 0.00 0.00 0.00 175.10 174.52 1xw4 s HIS 42 N -0.22 0.24 -0.63 5.22 3.76 0.38 -4.94 115.29 119.11 1xw4 s HIS 42 Ca 0.46 -0.58 -0.24 0.00 -0.15 0.00 0.00 55.06 54.55 1xw4 s HIS 42 Cb -0.24 -0.18 0.06 0.00 1.11 0.00 0.00 32.58 33.33 1xw4 s HIS 42 CO 0.30 -0.36 0.99 -0.80 -0.85 0.00 0.00 174.74 174.02 1xw4 s ASN 43 N -2.20 6.23 -0.07 1.40 0.01 -1.26 -0.87 114.94 118.18 1xw4 s ASN 43 Ca -0.04 -0.70 -0.11 0.00 -0.71 0.00 0.00 52.86 51.31 1xw4 s ASN 43 Cb -0.00 -2.44 -0.05 0.00 0.41 0.00 0.00 41.25 39.17 1xw4 s ASN 43 CO -0.05 -1.40 0.27 0.54 -1.51 0.00 0.00 177.10 174.94 1xw4 s VAL 44 N 4.19 5.29 0.16 1.60 0.11 -0.52 -4.80 120.40 126.42 1xw4 s VAL 44 Ca 0.26 0.51 -0.31 0.00 -2.93 0.00 0.00 61.98 59.51 1xw4 s VAL 44 Cb -0.14 -3.55 -0.10 0.00 -1.53 0.00 0.00 36.38 31.05 1xw4 s VAL 44 CO 0.14 0.59 1.67 -2.84 -3.33 0.00 0.00 175.10 171.32 1xw4 s PRO 45 N -0.94 4.17 0.38 1.54 0.02 -1.26 -1.30 135.00 137.61 1xw4 s PRO 45 Ca 0.19 2.47 0.18 0.00 0.02 0.00 0.00 61.00 63.85 1xw4 s PRO 45 Cb -0.14 -3.26 1.11 0.00 0.02 0.00 0.00 34.50 32.23 1xw4 s PRO 45 CO 0.08 -0.70 1.71 -0.07 -0.33 0.00 0.00 177.00 177.69 1xw4 h LEU 46 N 7.32 0.47 -2.03 -5.54 3.38 -1.43 -1.74 115.31 115.74 1xw4 h LEU 46 Ca -0.43 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 1xw4 h LEU 46 Cb 1.20 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 1xw4 h LEU 46 CO 0.93 -0.00 -0.07 0.77 0.09 0.00 0.00 178.44 180.16 1xw4 h SER 47 N 0.36 0.00 1.19 -0.43 4.64 -1.89 -2.09 113.55 115.34 1xw4 h SER 47 Ca 0.67 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.99 1xw4 h SER 47 Cb 1.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 1xw4 h SER 47 CO -0.42 0.07 -0.03 0.55 -0.87 0.00 0.00 176.83 176.14 1xw4 n VAL 48 N -4.08 0.27 -2.68 0.95 3.14 -0.65 -4.81 118.33 110.47 1xw4 n VAL 48 Ca -0.03 -0.13 -0.43 0.00 -2.96 0.00 0.00 64.34 60.79 1xw4 n VAL 48 Cb 0.16 -0.51 -0.02 0.00 -1.06 0.00 0.00 33.84 32.41 1xw4 n VAL 48 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1xw4 s LEU 49 N -3.71 4.14 0.02 6.55 1.43 -0.79 -4.48 118.68 121.84 1xw4 s LEU 49 Ca 0.12 1.41 -0.29 0.00 -1.03 0.00 0.00 54.13 54.35 1xw4 s LEU 49 Cb 0.16 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 1xw4 s LEU 49 CO 0.57 -0.60 0.92 -0.63 0.23 0.00 0.00 176.35 176.83 1xw4 s ILE 50 N 2.85 4.81 -0.59 -0.59 1.01 0.48 -4.93 121.20 124.25 1xw4 s ILE 50 Ca 0.45 1.93 0.04 0.00 0.00 0.00 0.00 60.65 63.08 1xw4 s ILE 50 Cb -0.16 -4.26 0.16 0.00 0.01 0.00 0.00 42.46 38.21 1xw4 s ILE 50 CO 0.09 0.22 0.41 -0.13 0.00 0.00 0.00 174.94 175.54 1xw4 s ARG 51 N 0.68 1.90 0.48 2.79 1.81 -1.26 -0.78 118.95 124.58 1xw4 s ARG 51 Ca 0.48 -2.83 0.27 0.00 -1.72 0.00 0.00 55.73 51.92 1xw4 s ARG 51 Cb -0.21 -2.77 1.17 0.00 -0.45 0.00 0.00 34.95 32.69 1xw4 s ARG 51 CO 0.26 -1.29 1.93 -1.35 -0.68 0.00 0.00 175.30 174.18 1xw4 h PRO 52 N 5.68 0.00 -6.47 3.54 0.11 -1.96 -3.45 132.00 129.45 1xw4 h PRO 52 Ca 0.15 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.61 1xw4 h PRO 52 Cb 0.82 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 31.79 1xw4 h PRO 52 CO 0.60 0.16 -0.71 -0.51 -0.21 0.00 0.00 178.00 177.33 1xw4 s LEU 53 N -6.82 3.17 0.82 2.35 1.43 -1.26 -5.10 118.68 113.27 1xw4 s LEU 53 Ca -0.01 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 1xw4 s LEU 53 Cb 0.11 -1.92 0.09 0.00 0.03 0.00 0.00 46.19 44.49 1xw4 s LEU 53 CO 0.60 0.16 1.15 -2.16 0.23 0.00 0.00 176.35 176.32 1xw4 s PRO 54 N -2.40 1.70 0.00 1.29 0.04 -1.26 -5.03 135.00 129.34 1xw4 s PRO 54 Ca 0.24 1.50 -0.02 0.00 0.04 0.00 0.00 61.00 62.75 1xw4 s PRO 54 Cb -0.11 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 1xw4 s PRO 54 CO 0.16 -2.11 0.18 -1.12 0.04 0.00 0.00 177.00 174.15 1xw4 s SER 55 N -2.70 6.34 -0.35 6.66 0.01 -1.26 -4.98 113.70 117.42 1xw4 s SER 55 Ca 0.67 0.33 -0.08 0.00 1.31 0.00 0.00 55.95 58.18 1xw4 s SER 55 Cb -0.23 -1.98 0.03 0.00 0.21 0.00 0.00 66.02 64.06 1xw4 s SER 55 CO 0.53 0.25 0.14 -0.69 0.41 0.00 0.00 173.24 173.88 1xw4 s VAL 56 N -1.35 4.09 -0.07 3.43 1.01 -1.26 -5.09 120.40 121.16 1xw4 s VAL 56 Ca 0.28 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.29 1xw4 s VAL 56 Cb -0.13 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1xw4 s VAL 56 CO 0.20 -0.19 -0.19 -0.76 0.00 0.00 0.00 175.10 174.16 1xw4 s LEU 57 N 1.46 1.92 -0.43 3.92 1.43 -1.26 -4.78 118.68 120.95 1xw4 s LEU 57 Ca -0.00 -0.43 -0.22 0.00 -1.03 0.00 0.00 54.13 52.45 1xw4 s LEU 57 Cb -0.19 -1.14 0.02 0.00 0.03 0.00 0.00 46.19 44.91 1xw4 s LEU 57 CO 0.04 0.13 0.70 -0.62 0.23 0.00 0.00 176.35 176.84 1xw4 s ASP 58 N 0.31 6.38 0.48 2.29 -1.08 -1.26 -4.97 116.67 118.82 1xw4 s ASP 58 Ca -0.13 -0.16 0.16 0.00 -0.52 0.00 0.00 52.55 51.90 1xw4 s ASP 58 Cb -0.15 -2.35 1.17 0.00 -1.46 0.00 0.00 42.92 40.13 1xw4 s ASP 58 CO 0.05 -0.81 2.05 -0.65 0.52 0.00 0.00 175.17 176.34 1xw4 h PRO 59 N 8.85 0.19 -0.01 4.34 0.11 -2.00 0.05 132.00 143.53 1xw4 h PRO 59 Ca -0.25 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.70 1xw4 h PRO 59 Cb 1.09 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1xw4 h PRO 59 CO 0.91 0.13 -0.70 0.00 -0.21 0.00 0.00 178.00 178.13 1xw4 h ALA 60 N 1.82 0.82 -0.11 -0.75 0.00 -1.99 -2.27 119.26 116.77 1xw4 h ALA 60 Ca 0.16 -0.63 -0.20 0.00 0.00 0.00 0.00 54.91 54.24 1xw4 h ALA 60 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1xw4 h ALA 60 CO -0.03 0.85 -0.76 -0.22 0.00 0.00 0.00 179.25 179.09 1xw4 h LYS 61 N 0.04 0.58 -0.28 0.00 3.64 -1.45 -0.73 116.57 118.37 1xw4 h LYS 61 Ca -0.01 -0.48 0.04 0.00 -1.27 0.00 0.00 60.65 58.93 1xw4 h LYS 61 Cb 1.24 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.12 1xw4 h LYS 61 CO 0.10 1.10 0.03 0.28 -2.27 0.00 0.00 179.45 178.69 1xw4 h VAL 62 N 0.39 0.84 -0.29 2.00 2.07 -1.16 -2.14 116.25 117.97 1xw4 h VAL 62 Ca -0.04 -0.04 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 1xw4 h VAL 62 Cb 1.36 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1xw4 h VAL 62 CO 0.14 0.02 -0.27 -0.61 0.02 0.00 0.00 177.57 176.88 1xw4 h GLN 63 N 0.13 0.57 -0.18 1.57 5.75 -1.27 -0.86 115.11 120.82 1xw4 h GLN 63 Ca 0.13 -0.23 0.01 0.00 -0.15 0.00 0.00 58.65 58.41 1xw4 h GLN 63 Cb 0.15 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 1xw4 h GLN 63 CO -0.19 0.78 0.08 1.03 -2.65 0.00 0.00 178.83 177.89 1xw4 h SER 64 N 0.50 0.12 -0.86 -0.69 0.87 -1.00 -1.50 113.55 110.99 1xw4 h SER 64 Ca 0.07 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.68 1xw4 h SER 64 Cb 0.72 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.62 1xw4 h SER 64 CO 0.06 0.10 0.55 -0.07 -0.53 0.00 0.00 176.83 176.93 1xw4 h LEU 65 N 0.18 0.90 -0.39 2.23 3.38 -1.05 0.06 115.31 120.62 1xw4 h LEU 65 Ca 0.07 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1xw4 h LEU 65 Cb 0.02 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1xw4 h LEU 65 CO -0.06 0.61 0.09 0.58 0.09 0.00 0.00 178.44 179.76 1xw4 h VAL 66 N 1.05 0.82 -0.36 1.22 2.07 -0.62 0.15 116.25 120.58 1xw4 h VAL 66 Ca 0.35 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.78 1xw4 h VAL 66 Cb 0.04 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1xw4 h VAL 66 CO -0.13 0.04 0.17 0.44 0.02 0.00 0.00 177.57 178.11 1xw4 h ASP 67 N 0.23 0.46 -0.75 0.57 3.32 -0.96 -2.15 116.42 117.14 1xw4 h ASP 67 Ca 0.19 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 1xw4 h ASP 67 Cb 0.21 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1xw4 h ASP 67 CO -0.23 0.46 0.26 0.74 -1.72 0.00 0.00 179.24 178.75 1xw4 h THR 68 N 0.44 1.26 -0.44 0.35 2.02 -0.68 -2.00 112.91 113.86 1xw4 h THR 68 Ca 0.12 -0.87 -0.02 0.00 0.77 0.00 0.00 66.41 66.41 1xw4 h THR 68 Cb 0.11 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1xw4 h THR 68 CO -0.02 0.35 0.20 0.40 0.37 0.00 0.00 175.52 176.82 1xw4 h ILE 69 N 1.11 1.19 -0.21 3.11 2.04 -0.52 0.37 117.51 124.61 1xw4 h ILE 69 Ca 0.25 -0.57 0.03 0.00 1.00 0.00 0.00 64.86 65.57 1xw4 h ILE 69 Cb 0.27 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 1xw4 h ILE 69 CO -0.01 0.21 0.03 0.03 0.00 0.00 0.00 178.15 178.41 1xw4 h ARG 70 N 0.57 0.10 0.01 2.37 3.08 -1.33 -3.22 114.38 115.96 1xw4 h ARG 70 Ca 0.15 -0.01 -0.30 0.00 0.07 0.00 0.00 59.98 59.89 1xw4 h ARG 70 Cb 0.15 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 1xw4 h ARG 70 CO -0.02 0.07 -1.77 0.39 -1.07 0.00 0.00 179.97 177.57 1xw4 n GLU 71 N -5.10 0.65 -2.84 0.04 1.02 -0.76 -4.78 120.64 108.88 1xw4 n GLU 71 Ca -0.02 0.28 -0.11 0.00 -0.02 0.00 0.00 57.16 57.28 1xw4 n GLU 71 Cb 0.10 -1.77 0.05 0.00 -0.02 0.00 0.00 31.44 29.79 1xw4 n GLU 71 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1xw4 n ASP 72 N -3.07 -1.87 -0.14 1.62 2.03 0.13 -5.03 116.55 110.22 1xw4 n ASP 72 Ca -0.19 -3.40 0.02 0.00 0.52 0.00 0.00 54.79 51.73 1xw4 n ASP 72 Cb 1.06 1.34 0.31 0.00 -0.72 0.00 0.00 41.12 43.10 1xw4 n ASP 72 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1xw4 h PRO 73 N 3.39 0.83 0.00 -0.67 0.13 -1.54 -1.27 132.00 132.86 1xw4 h PRO 73 Ca -0.07 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1xw4 h PRO 73 Cb 1.04 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1xw4 h PRO 73 CO 0.27 0.55 0.00 -0.44 -0.23 0.00 0.00 178.00 178.15 1xw4 h ASP 74 N 0.86 0.00 0.04 1.44 3.32 -1.91 0.35 116.42 120.52 1xw4 h ASP 74 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1xw4 h ASP 74 Cb -0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1xw4 h ASP 74 CO -0.05 0.00 -0.01 -1.54 -1.72 0.00 0.00 179.24 175.92 1xw4 n SER 75 N -2.80 0.39 -4.29 6.45 3.41 -0.48 -4.72 113.62 111.57 1xw4 n SER 75 Ca -0.02 -1.06 -0.39 0.00 -0.26 0.00 0.00 58.87 57.14 1xw4 n SER 75 Cb 0.10 -0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 63.91 1xw4 n SER 75 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1xw4 s VAL 76 N -2.05 4.01 0.71 -3.33 1.01 0.11 -5.09 120.40 115.77 1xw4 s VAL 76 Ca 0.44 -1.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 1xw4 s VAL 76 Cb 0.22 -3.30 0.03 0.00 0.00 0.00 0.00 36.38 33.32 1xw4 s VAL 76 CO 0.37 -0.24 1.21 -2.84 0.00 0.00 0.00 175.10 173.60 1xw4 s PRO 77 N 1.44 2.29 0.45 2.72 0.02 -1.26 -4.97 135.00 135.69 1xw4 s PRO 77 Ca -0.00 1.78 -0.24 0.00 0.02 0.00 0.00 61.00 62.55 1xw4 s PRO 77 Cb -0.20 -1.85 -0.09 0.00 0.02 0.00 0.00 34.50 32.39 1xw4 s PRO 77 CO 0.04 -1.73 1.26 -0.35 -0.33 0.00 0.00 177.00 175.89 1xw4 n PRO 78 N -2.52 1.81 -2.95 5.54 -0.04 -1.26 -4.98 135.00 130.60 1xw4 n PRO 78 Ca 0.14 0.65 -0.34 0.00 -0.04 0.00 0.00 63.50 63.91 1xw4 n PRO 78 Cb 0.50 -2.39 -0.07 0.00 -0.04 0.00 0.00 33.50 31.50 1xw4 n PRO 78 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1xw4 s ILE 79 N -1.24 4.48 0.08 0.52 -4.36 -0.68 -4.62 121.20 115.37 1xw4 s ILE 79 Ca 0.64 1.34 -0.27 0.00 -0.26 0.00 0.00 60.65 62.10 1xw4 s ILE 79 Cb -0.49 -3.71 -0.06 0.00 1.25 0.00 0.00 42.46 39.46 1xw4 s ILE 79 CO 0.56 -0.13 0.85 -1.81 0.24 0.00 0.00 174.94 174.65 1xw4 s ASP 80 N -2.05 7.34 -0.05 4.36 1.01 -1.26 -0.45 116.67 125.58 1xw4 s ASP 80 Ca 0.55 1.60 0.01 0.00 0.71 0.00 0.00 52.55 55.43 1xw4 s ASP 80 Cb -0.12 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.31 1xw4 s ASP 80 CO 0.17 -0.01 -0.07 -0.69 0.21 0.00 0.00 175.17 174.79 1xw4 s VAL 81 N -0.09 0.68 -0.20 -1.27 1.01 -0.49 -4.42 120.40 115.61 1xw4 s VAL 81 Ca 0.42 -0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.89 1xw4 s VAL 81 Cb -0.22 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.50 1xw4 s VAL 81 CO 0.26 0.25 1.02 -0.76 0.00 0.00 0.00 175.10 175.87 1xw4 s LEU 82 N 0.77 4.13 -0.45 3.92 1.02 0.81 -0.19 118.68 128.69 1xw4 s LEU 82 Ca -0.12 1.40 -0.18 0.00 0.02 0.00 0.00 54.13 55.26 1xw4 s LEU 82 Cb -0.14 -3.53 0.04 0.00 0.02 0.00 0.00 46.19 42.58 1xw4 s LEU 82 CO 0.01 -0.61 0.48 0.86 0.02 0.00 0.00 176.35 177.12 1xw4 s TRP 83 N 2.90 3.15 -0.08 0.29 -0.00 0.71 -1.08 118.94 124.82 1xw4 s TRP 83 Ca 0.45 -0.48 0.02 0.00 -0.00 0.00 0.00 56.10 56.09 1xw4 s TRP 83 Cb -0.16 -3.10 -0.02 0.00 -0.00 0.00 0.00 33.47 30.19 1xw4 s TRP 83 CO 0.09 -0.80 -0.13 0.42 -0.00 0.00 0.00 176.95 176.53 1xw4 s ILE 84 N 2.21 3.11 -0.19 5.86 1.01 0.30 -1.09 121.20 132.41 1xw4 s ILE 84 Ca 0.12 -0.68 -0.09 0.00 0.00 0.00 0.00 60.65 60.00 1xw4 s ILE 84 Cb -0.18 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 1xw4 s ILE 84 CO 0.12 0.57 0.11 -0.54 0.00 0.00 0.00 174.94 175.20 1xw4 s LYS 85 N -0.32 4.13 0.98 2.79 -0.14 -1.26 -0.23 119.74 125.69 1xw4 s LYS 85 Ca 0.03 -0.25 -0.16 0.00 -1.36 0.00 0.00 55.97 54.22 1xw4 s LYS 85 Cb -0.13 -3.36 0.21 0.00 -1.68 0.00 0.00 37.83 32.87 1xw4 s LYS 85 CO 0.03 0.30 1.31 0.20 -0.76 0.00 0.00 175.35 176.42 1xw4 s GLY 86 N 0.35 1.77 0.56 -3.33 0.00 0.82 -4.88 107.32 102.61 1xw4 s GLY 86 Ca 0.07 -1.18 0.27 0.00 0.00 0.00 0.00 44.72 43.87 1xw4 s GLY 86 CO -0.01 -0.41 2.00 0.00 0.00 0.00 0.00 173.10 174.68 1xw4 h ALA 87 N -1.71 2.26 -0.29 3.20 0.00 -0.90 0.53 119.26 122.35 1xw4 h ALA 87 Ca -0.44 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 1xw4 h ALA 87 Cb 1.24 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.99 1xw4 h ALA 87 CO 0.38 -0.59 -0.06 1.04 0.00 0.00 0.00 179.25 180.02 1xw4 n GLN 88 N -4.08 2.11 -0.99 0.00 6.02 -0.05 -4.97 117.38 115.42 1xw4 n GLN 88 Ca 0.08 -3.04 0.00 0.00 -0.01 0.00 0.00 57.00 54.02 1xw4 n GLN 88 Cb 0.56 -1.80 0.00 0.00 1.02 0.00 0.00 30.24 30.02 1xw4 n GLN 88 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xw4 n GLY 89 N -0.97 0.68 3.76 1.08 0.00 0.18 -5.02 105.19 104.90 1xw4 n GLY 89 Ca 0.28 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.94 1xw4 n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xw4 s GLY 90 N -2.00 2.75 -0.16 -0.02 0.00 -0.38 -4.59 107.32 102.92 1xw4 s GLY 90 Ca 0.00 1.01 -0.09 0.00 0.00 0.00 0.00 44.72 45.64 1xw4 s GLY 90 CO 0.00 1.43 0.14 0.99 0.00 0.00 0.00 173.10 175.65 1xw4 s ASP 91 N -1.49 6.29 -0.02 1.64 1.11 -1.26 -0.13 116.67 122.81 1xw4 s ASP 91 Ca 0.73 0.34 0.03 0.00 0.18 0.00 0.00 52.55 53.83 1xw4 s ASP 91 Cb -0.30 -2.08 0.00 0.00 1.07 0.00 0.00 42.92 41.60 1xw4 s ASP 91 CO 0.34 0.28 -0.09 -0.31 1.18 0.00 0.00 175.17 176.57 1xw4 s TYR 92 N -0.24 0.93 -0.27 4.23 1.51 0.68 -4.99 117.35 119.20 1xw4 s TYR 92 Ca 0.11 -0.21 0.03 0.00 -1.01 0.00 0.00 57.07 55.99 1xw4 s TYR 92 Cb -0.11 -0.64 0.07 0.00 -0.11 0.00 0.00 41.96 41.16 1xw4 s TYR 92 CO 0.01 -0.08 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.23 1xw4 s PHE 93 N 0.07 3.27 -0.15 2.71 0.08 -1.26 -0.54 117.98 122.17 1xw4 s PHE 93 Ca -0.01 -2.39 -0.05 0.00 0.12 0.00 0.00 56.93 54.60 1xw4 s PHE 93 Cb -0.07 -2.05 -0.04 0.00 -0.57 0.00 0.00 43.02 40.29 1xw4 s PHE 93 CO 0.00 -0.88 0.03 0.71 -0.10 0.00 0.00 175.22 174.98 1xw4 s TYR 94 N 1.10 3.21 -0.17 0.36 2.02 -0.25 -0.39 117.35 123.23 1xw4 s TYR 94 Ca -0.06 0.05 0.01 0.00 -0.37 0.00 0.00 57.07 56.71 1xw4 s TYR 94 Cb -0.20 -1.98 0.02 0.00 -0.40 0.00 0.00 41.96 39.41 1xw4 s TYR 94 CO -0.06 0.23 -0.19 0.45 -1.57 0.00 0.00 175.55 174.41 1xw4 s SER 95 N -0.02 3.06 0.02 2.29 0.15 0.04 -0.13 113.70 119.11 1xw4 s SER 95 Ca 0.05 -0.62 0.05 0.00 0.70 0.00 0.00 55.95 56.12 1xw4 s SER 95 Cb -0.12 -1.44 -0.02 0.00 -1.71 0.00 0.00 66.02 62.73 1xw4 s SER 95 CO 0.01 -0.00 -0.15 -0.36 1.20 0.00 0.00 173.24 173.94 1xw4 s PHE 96 N 1.28 1.31 0.00 3.44 0.08 -1.26 -4.39 117.98 118.44 1xw4 s PHE 96 Ca 0.04 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 56.78 1xw4 s PHE 96 Cb -0.13 -0.80 0.00 0.00 -0.57 0.00 0.00 43.02 41.52 1xw4 s PHE 96 CO -0.12 0.02 0.00 0.41 -0.10 0.00 0.00 175.22 175.43 1xw4 n GLY 97 N 2.21 -0.89 2.97 4.36 0.00 -1.26 -4.89 105.19 107.69 1xw4 n GLY 97 Ca -0.16 -1.10 -0.01 0.00 0.00 0.00 0.00 46.02 44.74 1xw4 n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xw4 n GLY 98 N 0.00 -1.34 0.13 -0.02 0.00 -1.26 -4.95 105.19 97.75 1xw4 n GLY 98 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1xw4 n GLY 98 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xw4 n HIS 100 N 2.24 0.00 -0.24 1.61 8.25 -1.26 -1.40 115.22 124.42 1xw4 n HIS 100 Ca -0.10 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.29 1xw4 n HIS 100 Cb 0.19 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.34 1xw4 n HIS 100 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xw4 h ARG 101 N 0.00 1.02 -0.21 -0.41 3.08 -1.95 0.07 114.38 115.98 1xw4 h ARG 101 Ca 0.00 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 59.87 1xw4 h ARG 101 Cb 0.00 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 1xw4 h ARG 101 CO 0.00 0.86 0.10 -0.92 -1.07 0.00 0.00 179.97 178.94 1xw4 h TYR 102 N 0.96 0.19 -0.73 3.04 3.20 -1.60 0.53 116.97 122.55 1xw4 h TYR 102 Ca 0.22 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 1xw4 h TYR 102 Cb 0.24 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1xw4 h TYR 102 CO 0.02 0.11 0.33 0.00 -1.64 0.00 0.00 178.16 176.98 1xw4 h ALA 103 N 1.11 1.21 -0.25 1.82 0.00 -1.72 -1.48 119.26 119.94 1xw4 h ALA 103 Ca 0.08 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1xw4 h ALA 103 Cb 0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1xw4 h ALA 103 CO -0.06 0.60 -0.24 0.00 0.00 0.00 0.00 179.25 179.55 1xw4 h ALA 104 N 1.32 0.37 -0.97 0.00 0.00 -0.55 -1.57 119.26 117.86 1xw4 h ALA 104 Ca 0.25 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1xw4 h ALA 104 Cb 0.13 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1xw4 h ALA 104 CO -0.03 0.34 0.64 1.88 0.00 0.00 0.00 179.25 182.08 1xw4 h TYR 105 N 0.32 1.21 -0.76 0.00 -1.99 -0.79 -2.00 116.97 112.97 1xw4 h TYR 105 Ca 0.04 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.81 1xw4 h TYR 105 Cb 0.79 -0.41 -0.04 0.00 2.00 0.00 0.00 36.73 39.07 1xw4 h TYR 105 CO 0.07 0.75 0.50 1.96 -0.00 0.00 0.00 178.16 181.45 1xw4 h GLN 106 N 1.30 0.98 -0.05 4.88 1.08 -1.11 -1.60 115.11 120.59 1xw4 h GLN 106 Ca 0.36 -0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 57.41 1xw4 h GLN 106 Cb -0.12 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.07 1xw4 h GLN 106 CO -0.09 0.65 -0.39 1.96 -0.95 0.00 0.00 178.83 180.01 1xw4 h GLN 107 N 1.01 0.10 0.00 1.46 4.20 -0.98 -0.32 115.11 120.58 1xw4 h GLN 107 Ca 0.28 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1xw4 h GLN 107 Cb -0.09 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1xw4 h GLN 107 CO -0.07 0.48 0.00 1.28 -0.67 0.00 0.00 178.83 179.85 1xw4 n LEU 108 N -4.06 0.00 -3.90 1.46 4.77 -0.78 -4.92 117.00 109.57 1xw4 n LEU 108 Ca -0.02 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.65 1xw4 n LEU 108 Cb 0.44 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1xw4 n LEU 108 CO 0.40 0.00 0.03 0.00 -1.33 0.00 0.00 177.39 176.49 1xw4 n GLN 109 N -0.99 -4.15 -2.30 3.23 6.02 -0.13 -4.95 117.38 114.11 1xw4 n GLN 109 Ca 0.22 0.49 -0.36 0.00 -0.01 0.00 0.00 57.00 57.34 1xw4 n GLN 109 Cb 0.10 -5.28 -0.01 0.00 1.02 0.00 0.00 30.24 26.07 1xw4 n GLN 109 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1xw4 s ARG 110 N -6.60 3.72 0.07 -1.09 1.81 -0.65 -4.97 118.95 111.24 1xw4 s ARG 110 Ca 0.64 1.69 -0.10 0.00 -1.72 0.00 0.00 55.73 56.24 1xw4 s ARG 110 Cb -0.34 -2.32 -0.26 0.00 -0.45 0.00 0.00 34.95 31.58 1xw4 s ARG 110 CO 0.79 -0.56 1.14 1.49 -0.68 0.00 0.00 175.30 177.47 1xw4 h GLU 111 N 1.90 0.49 -5.23 3.54 4.57 -1.92 -3.45 114.58 114.48 1xw4 h GLU 111 Ca -0.49 -0.69 -0.43 0.00 -1.18 0.00 0.00 59.36 56.57 1xw4 h GLU 111 Cb 1.25 0.23 -0.14 0.00 -0.16 0.00 0.00 28.75 29.93 1xw4 h GLU 111 CO 0.60 1.30 -0.65 0.95 -1.18 0.00 0.00 179.01 180.03 1xw4 s THR 112 N -2.91 1.22 -0.00 0.32 -4.23 -1.26 -1.12 115.64 107.66 1xw4 s THR 112 Ca -0.07 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 1xw4 s THR 112 Cb 0.06 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.42 1xw4 s THR 112 CO 0.91 -0.23 0.00 -0.51 -0.54 0.00 0.00 174.62 174.25 1xw4 s ILE 113 N -3.29 0.00 0.10 2.99 2.07 -0.42 -4.78 121.20 117.87 1xw4 s ILE 113 Ca 0.31 0.03 -0.31 0.00 -1.41 0.00 0.00 60.65 59.27 1xw4 s ILE 113 Cb 0.06 -0.03 -0.09 0.00 0.13 0.00 0.00 42.46 42.53 1xw4 s ILE 113 CO 0.11 0.02 1.61 -2.84 -1.91 0.00 0.00 174.94 171.93 1xw4 s PRO 114 N 0.17 4.21 -0.01 3.50 0.02 -1.26 -1.44 135.00 140.19 1xw4 s PRO 114 Ca -0.01 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.32 1xw4 s PRO 114 Cb -0.02 -3.44 0.01 0.00 0.02 0.00 0.00 34.50 31.07 1xw4 s PRO 114 CO -0.00 -0.67 0.01 0.00 -0.33 0.00 0.00 177.00 176.00 1xw4 s ALA 115 N 2.09 0.03 -0.40 -1.55 0.00 -0.05 -1.69 121.76 120.19 1xw4 s ALA 115 Ca 0.72 0.10 -0.27 0.00 0.00 0.00 0.00 51.96 52.51 1xw4 s ALA 115 Cb -0.41 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.65 1xw4 s ALA 115 CO 0.32 -0.04 1.01 0.21 0.00 0.00 0.00 175.76 177.26 1xw4 s LYS 116 N 0.37 3.80 -0.47 0.00 2.20 0.40 -0.47 119.74 125.57 1xw4 s LYS 116 Ca -0.03 0.60 -0.27 0.00 -0.36 0.00 0.00 55.97 55.91 1xw4 s LYS 116 Cb -0.05 -3.84 0.03 0.00 -1.51 0.00 0.00 37.83 32.46 1xw4 s LYS 116 CO -0.01 -1.10 1.01 -0.51 -0.36 0.00 0.00 175.35 174.38 1xw4 s LEU 117 N 3.82 3.86 -0.34 5.43 1.43 0.65 -1.40 118.68 132.13 1xw4 s LEU 117 Ca 0.42 0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 53.64 1xw4 s LEU 117 Cb -0.10 -3.32 -0.01 0.00 0.03 0.00 0.00 46.19 42.79 1xw4 s LEU 117 CO 0.23 -1.14 0.20 -0.69 0.23 0.00 0.00 176.35 175.18 1xw4 s VAL 118 N 4.05 4.92 0.11 -1.59 1.01 0.73 -2.44 120.40 127.19 1xw4 s VAL 118 Ca 0.41 -0.40 -0.31 0.00 0.00 0.00 0.00 61.98 61.68 1xw4 s VAL 118 Cb -0.09 -3.56 -0.09 0.00 0.00 0.00 0.00 36.38 32.64 1xw4 s VAL 118 CO 0.28 -0.02 1.61 -1.10 0.00 0.00 0.00 175.10 175.87 1xw4 s GLN 119 N 1.66 4.21 0.17 2.72 -0.21 -0.56 -0.21 119.66 127.44 1xw4 s GLN 119 Ca 0.05 2.33 -0.05 0.00 0.02 0.00 0.00 55.36 57.71 1xw4 s GLN 119 Cb -0.18 -3.41 -0.03 0.00 1.00 0.00 0.00 33.01 30.40 1xw4 s GLN 119 CO 0.08 -0.67 0.19 -1.12 -2.12 0.00 0.00 175.29 171.65 1xw4 s SER 120 N 1.84 0.14 0.45 5.90 0.01 -0.25 -4.70 113.70 117.09 1xw4 s SER 120 Ca 0.72 -1.13 0.06 0.00 1.31 0.00 0.00 55.95 56.91 1xw4 s SER 120 Cb -0.41 0.39 -0.03 0.00 0.21 0.00 0.00 66.02 66.18 1xw4 s SER 120 CO 0.32 -0.86 0.17 0.42 0.41 0.00 0.00 173.24 173.70 1xw4 s THR 121 N -4.05 1.98 0.35 1.44 -4.23 -1.26 -4.36 115.64 105.50 1xw4 s THR 121 Ca 0.26 -1.74 0.03 0.00 -1.18 0.00 0.00 61.69 59.06 1xw4 s THR 121 Cb 0.05 -2.72 0.22 0.00 1.34 0.00 0.00 72.50 71.39 1xw4 s THR 121 CO 0.05 0.00 1.95 -0.07 -0.54 0.00 0.00 174.62 176.01 1xw4 h LEU 122 N 1.33 0.63 -0.73 4.79 3.38 -1.98 -1.25 115.31 121.48 1xw4 h LEU 122 Ca -0.42 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.53 1xw4 h LEU 122 Cb 1.27 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 1xw4 h LEU 122 CO 0.70 0.54 0.45 0.28 0.09 0.00 0.00 178.44 180.50 1xw4 h SER 123 N 0.70 0.72 -0.73 -0.43 0.02 -1.99 -0.31 113.55 111.53 1xw4 h SER 123 Ca 0.18 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.17 1xw4 h SER 123 Cb 0.09 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.43 1xw4 h SER 123 CO -0.02 0.49 0.45 0.44 -1.14 0.00 0.00 176.83 177.05 1xw4 h ASP 124 N 0.86 0.74 -0.56 3.07 3.32 -1.76 -3.06 116.42 119.03 1xw4 h ASP 124 Ca 0.31 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 1xw4 h ASP 124 Cb 0.07 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1xw4 h ASP 124 CO -0.13 0.51 0.26 0.25 -1.72 0.00 0.00 179.24 178.40 1xw4 h LEU 125 N 0.88 0.74 -2.00 1.55 5.85 -0.78 -2.94 115.31 118.61 1xw4 h LEU 125 Ca 0.30 -0.14 0.20 0.00 0.84 0.00 0.00 57.88 59.08 1xw4 h LEU 125 Cb 0.04 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1xw4 h LEU 125 CO -0.12 0.67 0.50 -0.09 -0.34 0.00 0.00 178.44 179.07 1xw4 h ARG 126 N 0.76 0.00 -0.85 1.25 2.43 -0.97 0.15 114.38 117.15 1xw4 h ARG 126 Ca 0.19 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.48 1xw4 h ARG 126 Cb 0.14 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.60 1xw4 h ARG 126 CO -0.02 0.00 0.47 0.28 -1.51 0.00 0.00 179.97 179.19 1xw4 h VAL 127 N 0.00 0.85 0.20 0.20 2.07 -1.43 0.28 116.25 118.42 1xw4 h VAL 127 Ca 0.33 -0.26 -0.35 0.00 0.82 0.00 0.00 66.70 67.24 1xw4 h VAL 127 Cb 1.32 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1xw4 h VAL 127 CO -0.00 0.14 -1.72 1.88 0.02 0.00 0.00 177.57 177.88 1xw4 h TYR 128 N 0.75 0.77 0.00 1.57 -1.99 -1.18 -3.42 116.97 113.47 1xw4 h TYR 128 Ca 0.43 -0.56 0.00 0.00 2.00 0.00 0.00 58.73 60.60 1xw4 h TYR 128 Cb 0.47 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.17 1xw4 h TYR 128 CO -0.07 1.67 -1.68 1.28 -0.00 0.00 0.00 178.16 179.37 1xw4 n LEU 129 N -3.61 0.12 0.00 3.88 4.77 -0.25 -5.04 117.00 116.87 1xw4 n LEU 129 Ca -0.24 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1xw4 n LEU 129 Cb 1.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 1xw4 n LEU 129 CO 0.53 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1xw4 n GLY 130 N 1.46 3.38 0.31 -0.72 0.00 0.96 -1.92 105.19 108.67 1xw4 n GLY 130 Ca -0.02 -0.20 0.18 0.00 0.00 0.00 0.00 46.02 45.98 1xw4 n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xw4 h ALA 131 N -0.99 1.25 -0.09 4.61 0.00 -1.96 -1.51 119.26 120.57 1xw4 h ALA 131 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xw4 h ALA 131 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xw4 h ALA 131 CO 0.00 0.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.15 1xw4 n SER 132 N -3.47 0.59 -4.66 0.00 3.41 -0.81 -4.89 113.62 103.78 1xw4 n SER 132 Ca -0.03 -1.81 -0.42 0.00 -0.26 0.00 0.00 58.87 56.36 1xw4 n SER 132 Cb 0.12 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1xw4 n SER 132 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1xw4 s THR 133 N -1.88 3.34 0.42 6.66 2.01 -0.57 -4.94 115.64 120.68 1xw4 s THR 133 Ca 0.16 0.45 -0.23 0.00 0.31 0.00 0.00 61.69 62.38 1xw4 s THR 133 Cb 0.08 -3.29 -0.09 0.00 0.01 0.00 0.00 72.50 69.21 1xw4 s THR 133 CO 0.12 -0.04 1.04 -2.16 -0.69 0.00 0.00 174.62 172.90 1xw4 s PRO 134 N 4.07 4.08 -1.32 4.92 0.04 -1.26 -4.95 135.00 140.59 1xw4 s PRO 134 Ca 0.79 1.47 -0.17 0.00 0.04 0.00 0.00 61.00 63.12 1xw4 s PRO 134 Cb -0.37 -2.43 0.04 0.00 0.04 0.00 0.00 34.50 31.78 1xw4 s PRO 134 CO 0.34 -0.20 1.92 -3.47 0.04 0.00 0.00 177.00 175.62 1xw4 n ASP 135 N -0.29 4.35 -4.76 6.66 2.03 -1.26 -4.96 116.55 118.32 1xw4 n ASP 135 Ca 0.06 -2.87 -0.41 0.00 0.52 0.00 0.00 54.79 52.09 1xw4 n ASP 135 Cb 0.50 -1.69 -0.02 0.00 -0.72 0.00 0.00 41.12 39.19 1xw4 n ASP 135 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1xw4 s LEU 136 N 3.94 4.41 0.00 -2.67 1.43 -1.26 -4.93 118.68 119.61 1xw4 s LEU 136 Ca 0.53 2.64 0.08 0.00 -1.03 0.00 0.00 54.13 56.35 1xw4 s LEU 136 Cb 0.07 -3.64 0.07 0.00 0.03 0.00 0.00 46.19 42.72 1xw4 s LEU 136 CO 0.03 -0.58 0.76 0.00 0.23 0.00 0.00 176.35 176.79