#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdh n LEU 2 N 0.00 -5.46 0.30 3.17 -0.00 -1.26 -4.95 117.00 108.81 2wdh n LEU 2 Ca 0.00 1.87 -0.12 0.00 -0.00 0.00 0.00 56.01 57.77 2wdh n LEU 2 Cb 0.00 -2.65 -0.06 0.00 -0.00 0.00 0.00 43.42 40.71 2wdh n LEU 2 CO 0.00 -3.50 0.48 0.71 -0.00 0.00 0.00 177.39 175.08 2wdh h THR 3 N 4.46 0.00 -3.23 1.96 1.35 -2.07 -3.44 112.91 111.95 2wdh h THR 3 Ca -0.33 -0.05 -0.67 0.00 -0.55 0.00 0.00 66.41 64.81 2wdh h THR 3 Cb 0.74 0.00 -0.32 0.00 -1.73 0.00 0.00 68.15 66.84 2wdh h THR 3 CO 0.01 0.00 -0.84 -0.62 -0.25 0.00 0.00 175.52 173.82 2wdh s ASP 4 N -3.35 3.38 -0.05 5.36 -1.08 -1.26 -5.04 116.67 114.63 2wdh s ASP 4 Ca -0.11 -0.55 -0.20 0.00 -0.52 0.00 0.00 52.55 51.17 2wdh s ASP 4 Cb 0.01 -1.51 -0.14 0.00 -1.46 0.00 0.00 42.92 39.82 2wdh s ASP 4 CO 0.34 0.07 0.81 -0.65 0.52 0.00 0.00 175.17 176.26 2wdh h PRO 5 N 7.40 -0.23 -0.89 4.34 0.11 -1.99 -3.12 132.00 137.62 2wdh h PRO 5 Ca -0.34 0.02 0.11 0.00 0.11 0.00 0.00 66.00 65.89 2wdh h PRO 5 Cb 1.18 0.05 -0.13 0.00 0.11 0.00 0.00 31.00 32.22 2wdh h PRO 5 CO 0.57 0.17 -0.50 0.82 -0.21 0.00 0.00 178.00 178.84 2wdh h ILE 6 N -0.90 0.01 -0.76 4.15 5.03 -2.00 0.44 117.51 123.48 2wdh h ILE 6 Ca -0.02 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.76 2wdh h ILE 6 Cb 0.50 0.01 -0.05 0.00 -3.03 0.00 0.00 36.82 34.26 2wdh h ILE 6 CO 0.04 0.00 0.47 0.00 -0.68 0.00 0.00 178.15 177.98 2wdh h ALA 7 N 0.74 1.02 -0.15 1.87 0.00 -1.99 -1.57 119.26 119.18 2wdh h ALA 7 Ca 0.21 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2wdh h ALA 7 Cb 0.50 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2wdh h ALA 7 CO -0.89 0.23 -0.31 0.22 0.00 0.00 0.00 179.25 178.50 2wdh h ASP 8 N 0.89 -1.03 -0.24 0.00 3.58 -0.11 0.27 116.42 119.78 2wdh h ASP 8 Ca 0.32 0.13 0.05 0.00 0.42 0.00 0.00 57.03 57.95 2wdh h ASP 8 Cb 0.08 0.41 -0.08 0.00 1.72 0.00 0.00 39.33 41.47 2wdh h ASP 8 CO -0.14 -0.25 -0.46 -0.03 -2.88 0.00 0.00 179.24 175.48 2wdh h MET 9 N -0.28 -0.43 -0.94 0.28 4.05 -0.92 0.61 114.93 117.30 2wdh h MET 9 Ca 0.03 0.03 0.26 0.00 -0.28 0.00 0.00 59.70 59.73 2wdh h MET 9 Cb 0.36 0.10 -0.13 0.00 -0.80 0.00 0.00 31.60 31.13 2wdh h MET 9 CO -0.29 -0.29 0.45 -0.07 0.23 0.00 0.00 176.91 176.94 2wdh h LEU 10 N -0.45 0.39 0.06 3.39 3.38 -0.74 0.29 115.31 121.64 2wdh h LEU 10 Ca 0.09 0.17 -0.18 0.00 0.09 0.00 0.00 57.88 58.05 2wdh h LEU 10 Cb 0.62 0.14 0.02 0.00 0.09 0.00 0.00 40.66 41.53 2wdh h LEU 10 CO -0.48 -0.05 -0.75 0.74 0.09 0.00 0.00 178.44 177.99 2wdh h THR 11 N 0.38 1.44 -0.69 0.22 2.02 0.13 -2.30 112.91 114.10 2wdh h THR 11 Ca 0.62 -2.28 0.12 0.00 0.77 0.00 0.00 66.41 65.64 2wdh h THR 11 Cb 1.27 2.82 -0.08 0.00 -1.74 0.00 0.00 68.15 70.42 2wdh h THR 11 CO -0.56 0.66 0.27 -0.09 0.37 0.00 0.00 175.52 176.17 2wdh h ARG 12 N -0.15 0.42 0.45 6.66 2.43 0.17 0.34 114.38 124.70 2wdh h ARG 12 Ca -0.11 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 2wdh h ARG 12 Cb 1.50 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.94 2wdh h ARG 12 CO 0.14 0.28 -0.42 0.82 -1.51 0.00 0.00 179.97 179.28 2wdh h ILE 13 N 0.44 0.00 -0.77 1.20 2.04 -0.52 -1.87 117.51 118.03 2wdh h ILE 13 Ca 0.37 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.39 2wdh h ILE 13 Cb 0.51 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.44 2wdh h ILE 13 CO -0.36 0.00 -0.11 -0.09 0.00 0.00 0.00 178.15 177.60 2wdh h ARG 14 N -0.86 0.04 0.00 2.37 2.43 -0.52 0.26 114.38 118.09 2wdh h ARG 14 Ca -0.06 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 2wdh h ARG 14 Cb 0.74 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 2wdh h ARG 14 CO -0.04 0.02 -0.18 -0.91 -1.51 0.00 0.00 179.97 177.36 2wdh h ASN 15 N 0.04 0.00 0.23 -3.80 2.35 -0.20 -2.00 115.58 112.20 2wdh h ASN 15 Ca 0.39 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.13 2wdh h ASN 15 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.03 2wdh h ASN 15 CO -0.75 0.18 -0.11 0.00 -1.65 0.00 0.00 177.43 175.11 2wdh h ALA 16 N 1.82 -0.37 -0.44 -0.83 0.00 0.29 -3.28 119.26 116.44 2wdh h ALA 16 Ca -0.00 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 54.97 2wdh h ALA 16 Cb 0.39 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2wdh h ALA 16 CO 0.02 -0.35 0.52 1.79 0.00 0.00 0.00 179.25 181.23 2wdh h THR 17 N -0.86 0.30 -0.01 0.00 1.35 -1.14 0.38 112.91 112.94 2wdh h THR 17 Ca -0.03 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.73 2wdh h THR 17 Cb 0.24 0.58 -0.01 0.00 -1.73 0.00 0.00 68.15 67.22 2wdh h THR 17 CO 0.05 0.00 -0.46 0.03 -0.25 0.00 0.00 175.52 174.89 2wdh h ARG 18 N 0.00 0.03 -0.44 4.72 -0.00 -1.42 -2.69 114.38 114.59 2wdh h ARG 18 Ca 0.21 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.67 2wdh h ARG 18 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.21 2wdh h ARG 18 CO -0.00 0.48 0.00 1.33 0.00 0.00 0.00 179.97 181.78 2wdh n VAL 19 N -3.99 0.87 -2.46 2.04 0.24 0.05 -5.04 118.33 110.04 2wdh n VAL 19 Ca -0.02 -0.93 -0.02 0.00 -2.04 0.00 0.00 64.34 61.33 2wdh n VAL 19 Cb 0.48 0.61 -0.02 0.00 -1.47 0.00 0.00 33.84 33.45 2wdh n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2wdh n TYR 20 N 0.95 -4.25 -3.88 6.34 4.01 -0.78 -5.05 117.16 114.51 2wdh n TYR 20 Ca 0.16 2.51 -0.11 0.00 -0.16 0.00 0.00 57.90 60.29 2wdh n TYR 20 Cb 0.49 -3.59 -0.11 0.00 -0.31 0.00 0.00 39.34 35.82 2wdh n TYR 20 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2wdh s LYS 21 N -0.56 0.33 0.00 -0.72 2.20 -1.25 -4.97 119.74 114.76 2wdh s LYS 21 Ca -0.10 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.24 2wdh s LYS 21 Cb 0.01 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 2wdh s LYS 21 CO 0.28 -0.07 0.91 -1.91 -0.36 0.00 0.00 175.35 174.21 2wdh n GLU 22 N 2.01 0.00 -3.61 4.03 4.07 -1.26 -4.42 120.64 121.46 2wdh n GLU 22 Ca -0.20 0.91 -0.08 0.00 -0.06 0.00 0.00 57.16 57.74 2wdh n GLU 22 Cb 0.57 -1.41 -0.06 0.00 -0.06 0.00 0.00 31.44 30.48 2wdh n GLU 22 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2wdh s SER 23 N -3.00 -0.30 0.31 4.31 1.04 -1.26 -2.28 113.70 112.52 2wdh s SER 23 Ca 0.00 0.42 0.08 0.00 0.48 0.00 0.00 55.95 56.92 2wdh s SER 23 Cb 0.00 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 2wdh s SER 23 CO 0.00 -0.21 0.22 -0.89 0.98 0.00 0.00 173.24 173.34 2wdh s THR 24 N -0.67 3.69 0.46 2.02 2.01 -1.20 -4.88 115.64 117.07 2wdh s THR 24 Ca 0.02 -1.47 0.07 0.00 0.31 0.00 0.00 61.69 60.63 2wdh s THR 24 Cb -0.02 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.30 2wdh s THR 24 CO -0.04 -0.24 0.42 -1.81 -0.69 0.00 0.00 174.62 172.27 2wdh s ASP 25 N -3.91 4.97 -0.27 3.53 1.11 -1.26 -1.43 116.67 119.41 2wdh s ASP 25 Ca 0.38 -0.86 -0.23 0.00 0.18 0.00 0.00 52.55 52.02 2wdh s ASP 25 Cb -0.06 -0.29 0.08 0.00 1.07 0.00 0.00 42.92 43.71 2wdh s ASP 25 CO 0.25 -0.80 0.74 0.54 1.18 0.00 0.00 175.17 177.07 2wdh s VAL 26 N -2.55 0.00 0.23 -1.27 0.11 -0.91 -4.89 120.40 111.12 2wdh s VAL 26 Ca 0.46 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.20 2wdh s VAL 26 Cb -0.03 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 33.68 2wdh s VAL 26 CO 0.27 0.00 1.43 -2.65 -3.33 0.00 0.00 175.10 170.82 2wdh n PRO 27 N 2.99 2.06 -1.68 1.54 -0.02 -1.26 -0.47 135.00 138.16 2wdh n PRO 27 Ca -0.15 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 2wdh n PRO 27 Cb 0.56 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2wdh n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdh n ALA 28 N 2.04 1.01 -3.37 3.55 0.00 0.45 -4.81 120.51 119.38 2wdh n ALA 28 Ca 0.12 0.30 0.02 0.00 0.00 0.00 0.00 53.44 53.88 2wdh n ALA 28 Cb 0.31 -2.21 -0.04 0.00 0.00 0.00 0.00 19.45 17.51 2wdh n ALA 28 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wdh s SER 29 N -0.49 -0.63 0.16 0.00 0.15 -1.26 -5.01 113.70 106.62 2wdh s SER 29 Ca 0.59 0.78 -0.31 0.00 0.70 0.00 0.00 55.95 57.71 2wdh s SER 29 Cb -0.55 1.68 -0.07 0.00 -1.71 0.00 0.00 66.02 65.37 2wdh s SER 29 CO 0.59 -0.12 1.54 -0.09 1.20 0.00 0.00 173.24 176.37 2wdh h ARG 30 N 7.61 -0.01 -0.76 5.44 2.43 -2.00 0.58 114.38 127.66 2wdh h ARG 30 Ca -0.16 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.13 2wdh h ARG 30 Cb 1.12 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.59 2wdh h ARG 30 CO 0.07 -0.01 0.37 0.35 -1.51 0.00 0.00 179.97 179.24 2wdh h PHE 31 N -0.01 0.65 -0.11 2.20 3.57 -1.99 -1.85 116.94 119.40 2wdh h PHE 31 Ca 0.16 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.73 2wdh h PHE 31 Cb 0.42 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 2wdh h PHE 31 CO -1.02 0.18 -0.21 0.87 -2.23 0.00 0.00 178.31 175.90 2wdh h LYS 32 N 0.58 -0.27 0.03 1.11 1.57 -0.28 -2.58 116.57 116.72 2wdh h LYS 32 Ca 0.39 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.22 2wdh h LYS 32 Cb 0.49 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 2wdh h LYS 32 CO -0.32 -0.18 -0.34 0.93 -0.57 0.00 0.00 179.45 178.97 2wdh h GLU 33 N -0.28 -0.49 -1.59 3.15 5.08 -0.44 -1.19 114.58 118.81 2wdh h GLU 33 Ca 0.09 0.03 0.49 0.00 -1.00 0.00 0.00 59.36 58.97 2wdh h GLU 33 Cb 0.42 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.69 2wdh h GLU 33 CO -0.27 -0.33 1.11 0.39 -1.00 0.00 0.00 179.01 178.92 2wdh n GLU 34 N -5.42 -0.01 -0.05 2.33 -0.58 -0.80 0.56 120.64 116.67 2wdh n GLU 34 Ca -0.05 1.03 -0.10 0.00 -0.42 0.00 0.00 57.16 57.61 2wdh n GLU 34 Cb 0.34 -2.24 -0.09 0.00 -0.57 0.00 0.00 31.44 28.88 2wdh n GLU 34 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2wdh h ILE 35 N 0.00 1.23 -0.65 -3.67 2.04 -1.02 -3.22 117.51 112.21 2wdh h ILE 35 Ca 0.83 -1.82 0.02 0.00 1.00 0.00 0.00 64.86 64.89 2wdh h ILE 35 Cb 3.11 2.28 -0.04 0.00 -0.74 0.00 0.00 36.82 41.43 2wdh h ILE 35 CO -0.15 0.40 0.41 -0.07 0.00 0.00 0.00 178.15 178.74 2wdh h LEU 36 N -0.96 0.69 -1.14 1.44 3.38 -0.13 0.90 115.31 119.49 2wdh h LEU 36 Ca -0.00 -0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.27 2wdh h LEU 36 Cb 0.68 -0.16 -0.13 0.00 0.09 0.00 0.00 40.66 41.14 2wdh h LEU 36 CO 0.00 0.49 0.64 -0.09 0.09 0.00 0.00 178.44 179.57 2wdh h ARG 37 N 0.82 0.34 0.00 1.13 2.43 -0.00 1.20 114.38 120.31 2wdh h ARG 37 Ca 0.26 -0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 59.17 2wdh h ARG 37 Cb -0.02 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 2wdh h ARG 37 CO -0.09 0.23 -1.22 0.82 -1.51 0.00 0.00 179.97 178.20 2wdh h ILE 38 N 0.35 1.41 -0.11 1.20 2.04 -1.02 -2.04 117.51 119.35 2wdh h ILE 38 Ca 0.70 -3.15 -0.01 0.00 1.00 0.00 0.00 64.86 63.40 2wdh h ILE 38 Cb 1.69 2.69 -0.00 0.00 -0.74 0.00 0.00 36.82 40.45 2wdh h ILE 38 CO -0.49 0.80 0.04 -0.07 0.00 0.00 0.00 178.15 178.44 2wdh h LEU 39 N 0.00 0.15 0.08 1.44 -0.00 0.35 -2.86 115.31 114.47 2wdh h LEU 39 Ca -0.10 -0.17 -0.00 0.00 -0.00 0.00 0.00 57.88 57.61 2wdh h LEU 39 Cb 1.84 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 42.46 2wdh h LEU 39 CO 0.11 0.27 -0.04 0.00 -0.00 0.00 0.00 178.44 178.79 2wdh h ALA 40 N 0.88 -0.11 0.00 1.53 0.00 -0.47 -1.08 119.26 120.02 2wdh h ALA 40 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2wdh h ALA 40 Cb 0.17 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2wdh h ALA 40 CO -0.00 -0.28 0.06 -2.13 0.00 0.00 0.00 179.25 176.90 2wdh n ARG 41 N -4.89 0.00 0.00 0.00 0.63 -0.77 0.19 116.66 111.83 2wdh n ARG 41 Ca -0.08 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 2wdh n ARG 41 Cb 0.27 -1.56 0.00 0.00 0.45 0.00 0.00 32.46 31.62 2wdh n ARG 41 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2wdh n GLU 42 N -0.90 1.63 -3.08 -0.14 -0.58 -1.08 -5.02 120.64 111.47 2wdh n GLU 42 Ca 0.00 -1.04 -0.13 0.00 -0.42 0.00 0.00 57.16 55.56 2wdh n GLU 42 Cb 0.06 -0.78 0.05 0.00 -0.57 0.00 0.00 31.44 30.20 2wdh n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wdh n GLY 43 N -0.27 -0.01 0.02 0.62 0.00 0.51 -4.94 105.19 101.12 2wdh n GLY 43 Ca 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 45.97 2wdh n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wdh n PHE 44 N -3.67 0.00 -3.83 1.61 3.72 -0.42 -4.98 117.46 109.89 2wdh n PHE 44 Ca -0.06 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.22 2wdh n PHE 44 Cb 0.56 -0.47 -0.09 0.00 -0.94 0.00 0.00 39.48 38.54 2wdh n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2wdh s ILE 45 N -3.05 0.07 0.10 4.37 -4.36 -1.25 -4.11 121.20 112.97 2wdh s ILE 45 Ca -0.07 -0.61 -0.23 0.00 -0.26 0.00 0.00 60.65 59.49 2wdh s ILE 45 Cb 0.10 -0.50 -0.10 0.00 1.25 0.00 0.00 42.46 43.20 2wdh s ILE 45 CO 0.71 -0.33 1.71 0.11 0.24 0.00 0.00 174.94 177.38 2wdh h LYS 46 N 4.11 -0.07 0.00 0.37 1.57 -1.52 -3.39 116.57 117.64 2wdh h LYS 46 Ca -0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2wdh h LYS 46 Cb 1.19 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2wdh h LYS 46 CO 0.40 -0.05 0.00 0.41 -0.57 0.00 0.00 179.45 179.65 2wdh n GLY 47 N -1.17 -1.62 3.15 3.86 0.00 -1.18 -4.94 105.19 103.29 2wdh n GLY 47 Ca -0.06 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 2wdh n GLY 47 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wdh s TYR 48 N -2.55 0.79 -0.20 1.61 -0.85 -1.25 0.61 117.35 115.51 2wdh s TYR 48 Ca 0.00 -0.97 -0.18 0.00 -0.52 0.00 0.00 57.07 55.41 2wdh s TYR 48 Cb 0.00 -0.48 0.05 0.00 0.38 0.00 0.00 41.96 41.91 2wdh s TYR 48 CO 0.00 -0.23 0.52 -1.83 -1.52 0.00 0.00 175.55 172.50 2wdh s GLU 49 N -3.87 0.60 -0.55 -3.49 -1.05 -0.85 -4.93 118.70 104.57 2wdh s GLU 49 Ca 0.11 0.75 -0.27 0.00 -0.15 0.00 0.00 54.97 55.41 2wdh s GLU 49 Cb 0.06 0.27 -0.01 0.00 -0.44 0.00 0.00 34.13 34.01 2wdh s GLU 49 CO -0.06 -0.08 1.69 1.03 0.95 0.00 0.00 175.26 178.79 2wdh s ARG 50 N 0.41 2.99 0.00 -4.83 0.52 -1.26 -0.80 118.95 115.98 2wdh s ARG 50 Ca -0.01 0.69 0.00 0.00 -0.52 0.00 0.00 55.73 55.89 2wdh s ARG 50 Cb -0.04 -4.26 0.00 0.00 0.52 0.00 0.00 34.95 31.17 2wdh s ARG 50 CO -0.01 -2.30 0.00 1.33 0.02 0.00 0.00 175.30 174.34 2wdh n VAL 51 N 7.11 0.00 -3.47 3.52 0.24 -1.21 -4.97 118.33 119.55 2wdh n VAL 51 Ca 0.18 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.35 2wdh n VAL 51 Cb 0.50 -1.00 -0.03 0.00 -1.47 0.00 0.00 33.84 31.84 2wdh n VAL 51 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2wdh s ASP 52 N -1.00 -0.54 -0.28 -1.34 1.11 -1.26 -3.00 116.67 110.36 2wdh s ASP 52 Ca 0.00 0.08 -0.00 0.00 0.18 0.00 0.00 52.55 52.81 2wdh s ASP 52 Cb 0.00 0.57 0.17 0.00 1.07 0.00 0.00 42.92 44.73 2wdh s ASP 52 CO 0.00 -0.89 0.51 -0.69 1.18 0.00 0.00 175.17 175.28 2wdh s VAL 53 N -3.30 -0.84 -1.69 -1.27 1.01 0.56 -4.88 120.40 109.99 2wdh s VAL 53 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2wdh s VAL 53 Cb -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.43 2wdh s VAL 53 CO -0.09 -0.06 0.00 0.47 0.00 0.00 0.00 175.10 175.42 2wdh n ASP 54 N 5.40 -5.51 0.00 3.32 8.00 -1.26 -0.63 116.55 125.87 2wdh n ASP 54 Ca -0.01 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.55 2wdh n ASP 54 Cb 0.51 -4.63 0.00 0.00 -0.02 0.00 0.00 41.12 36.98 2wdh n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wdh n GLY 55 N -0.93 2.89 3.62 0.44 0.00 -1.26 -5.02 105.19 104.92 2wdh n GLY 55 Ca -0.23 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 2wdh n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdh s LYS 56 N 0.00 3.57 -0.39 1.61 1.02 0.20 -4.96 119.74 120.79 2wdh s LYS 56 Ca 0.00 1.83 -0.29 0.00 0.02 0.00 0.00 55.97 57.53 2wdh s LYS 56 Cb 0.00 -4.17 0.02 0.00 -0.52 0.00 0.00 37.83 33.16 2wdh s LYS 56 CO 0.00 -1.58 1.15 -1.25 -0.92 0.00 0.00 175.35 172.75 2wdh s PRO 57 N 5.29 3.87 0.00 -1.68 0.04 -1.26 -0.32 135.00 140.94 2wdh s PRO 57 Ca 0.83 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.73 2wdh s PRO 57 Cb -0.29 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.41 2wdh s PRO 57 CO 0.33 -1.18 0.00 0.66 0.04 0.00 0.00 177.00 176.86 2wdh n TYR 58 N 7.50 0.00 -3.65 0.56 4.02 -1.16 -0.41 117.16 124.01 2wdh n TYR 58 Ca 0.13 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.91 2wdh n TYR 58 Cb 0.48 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.69 2wdh n TYR 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2wdh s LEU 59 N 0.00 -0.47 -0.59 7.72 1.43 0.37 -3.34 118.68 123.81 2wdh s LEU 59 Ca 0.00 0.77 -0.24 0.00 -1.03 0.00 0.00 54.13 53.63 2wdh s LEU 59 Cb 0.00 1.02 0.05 0.00 0.03 0.00 0.00 46.19 47.28 2wdh s LEU 59 CO 0.00 -0.24 0.98 -0.13 0.23 0.00 0.00 176.35 177.19 2wdh s ARG 60 N 2.51 3.28 -0.63 1.70 1.81 0.02 -2.14 118.95 125.51 2wdh s ARG 60 Ca 0.00 -0.36 -0.18 0.00 -1.72 0.00 0.00 55.73 53.47 2wdh s ARG 60 Cb -0.12 -4.10 0.12 0.00 -0.45 0.00 0.00 34.95 30.40 2wdh s ARG 60 CO -0.11 -1.60 0.73 0.08 -0.68 0.00 0.00 175.30 173.72 2wdh s VAL 61 N 4.12 4.89 -0.29 3.52 1.01 -0.51 -2.00 120.40 131.13 2wdh s VAL 61 Ca 0.29 -1.17 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 2wdh s VAL 61 Cb -0.13 -4.50 -0.01 0.00 0.00 0.00 0.00 36.38 31.74 2wdh s VAL 61 CO 0.17 -1.14 1.43 -0.31 0.00 0.00 0.00 175.10 175.25 2wdh s TYR 62 N 2.45 2.44 0.60 5.22 2.02 0.20 -3.21 117.35 127.06 2wdh s TYR 62 Ca 0.13 0.73 -0.14 0.00 -0.37 0.00 0.00 57.07 57.43 2wdh s TYR 62 Cb -0.22 -4.00 -0.04 0.00 -0.40 0.00 0.00 41.96 37.30 2wdh s TYR 62 CO 0.04 -2.16 1.03 -0.51 -1.57 0.00 0.00 175.55 172.38 2wdh s LEU 63 N 4.86 3.39 -0.07 -1.29 2.01 -0.97 -1.61 118.68 125.01 2wdh s LEU 63 Ca 0.62 1.61 0.03 0.00 0.01 0.00 0.00 54.13 56.40 2wdh s LEU 63 Cb -0.19 -4.50 0.01 0.00 0.01 0.00 0.00 46.19 41.52 2wdh s LEU 63 CO 0.27 -0.99 -0.15 -0.75 1.01 0.00 0.00 176.35 175.74 2wdh s LYS 64 N -4.54 1.90 0.26 1.70 2.20 -1.26 -4.46 119.74 115.54 2wdh s LYS 64 Ca 0.59 -0.51 0.03 0.00 -0.36 0.00 0.00 55.97 55.72 2wdh s LYS 64 Cb -0.13 -1.55 -0.05 0.00 -1.51 0.00 0.00 37.83 34.59 2wdh s LYS 64 CO 0.43 0.09 0.03 0.71 -0.36 0.00 0.00 175.35 176.25 2wdh s TYR 65 N 0.49 1.66 0.98 4.03 1.51 -1.26 -3.47 117.35 121.29 2wdh s TYR 65 Ca -0.13 -0.98 -0.16 0.00 -1.01 0.00 0.00 57.07 54.79 2wdh s TYR 65 Cb -0.15 -1.00 0.21 0.00 -0.11 0.00 0.00 41.96 40.91 2wdh s TYR 65 CO 0.04 -0.08 1.31 0.20 -1.11 0.00 0.00 175.55 175.91 2wdh s GLY 66 N -3.35 1.77 0.44 0.71 0.00 0.66 -4.79 107.32 102.75 2wdh s GLY 66 Ca 0.32 -1.19 -0.13 0.00 0.00 0.00 0.00 44.72 43.72 2wdh s GLY 66 CO 0.11 -0.41 0.86 2.56 0.00 0.00 0.00 173.10 176.23 2wdh s PRO 67 N -5.86 3.87 0.34 2.90 0.04 -1.26 -4.39 135.00 130.65 2wdh s PRO 67 Ca 0.74 0.69 -0.02 0.00 0.04 0.00 0.00 61.00 62.46 2wdh s PRO 67 Cb -0.04 -2.29 0.03 0.00 0.04 0.00 0.00 34.50 32.24 2wdh s PRO 67 CO 0.53 -0.12 0.06 -2.13 0.04 0.00 0.00 177.00 175.38 2wdh n ARG 68 N -1.33 1.28 -3.89 4.56 0.63 -1.26 -4.11 116.66 112.54 2wdh n ARG 68 Ca 0.04 -0.10 -0.08 0.00 -0.92 0.00 0.00 57.85 56.79 2wdh n ARG 68 Cb 0.54 -0.60 -0.02 0.00 0.45 0.00 0.00 32.46 32.83 2wdh n ARG 68 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2wdh s ARG 69 N -1.47 1.84 0.00 -0.14 0.52 -1.21 -4.78 118.95 113.71 2wdh s ARG 69 Ca 0.05 -1.17 0.00 0.00 -0.52 0.00 0.00 55.73 54.09 2wdh s ARG 69 Cb -0.01 0.58 0.00 0.00 0.52 0.00 0.00 34.95 36.04 2wdh s ARG 69 CO 0.04 -0.83 0.00 1.04 0.02 0.00 0.00 175.30 175.57 2wdh n GLN 70 N -0.46 0.92 -0.33 3.54 1.13 -1.26 -4.52 117.38 116.40 2wdh n GLN 70 Ca -0.04 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.06 2wdh n GLN 70 Cb 0.60 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.94 2wdh n GLN 70 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wdh n GLY 71 N 5.00 -0.48 3.64 1.08 0.00 -1.26 -4.47 105.19 108.70 2wdh n GLY 71 Ca 0.00 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 2wdh n GLY 71 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wdh n PRO 72 N -1.36 0.88 -2.78 1.61 -0.02 -1.26 -4.01 135.00 128.06 2wdh n PRO 72 Ca 0.00 0.35 -0.02 0.00 -2.02 0.00 0.00 63.50 61.81 2wdh n PRO 72 Cb 0.15 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 2wdh n PRO 72 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2wdh n ASP 73 N -1.18 -6.94 -0.60 2.55 4.64 -1.26 -4.86 116.55 108.89 2wdh n ASP 73 Ca 0.14 0.06 0.00 0.00 -1.38 0.00 0.00 54.79 53.61 2wdh n ASP 73 Cb 0.48 -4.67 0.00 0.00 -1.04 0.00 0.00 41.12 35.89 2wdh n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2wdh n PRO 74 N -1.35 0.77 -2.46 -0.67 -0.04 -1.26 -4.85 135.00 125.16 2wdh n PRO 74 Ca 0.02 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.06 2wdh n PRO 74 Cb 0.47 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 32.58 2wdh n PRO 74 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2wdh s ARG 75 N -0.75 4.42 0.92 0.54 0.52 -1.26 -3.34 118.95 120.00 2wdh s ARG 75 Ca 0.00 1.71 -0.10 0.00 -0.52 0.00 0.00 55.73 56.82 2wdh s ARG 75 Cb 0.00 -3.41 0.14 0.00 0.52 0.00 0.00 34.95 32.20 2wdh s ARG 75 CO 0.00 -0.29 1.09 -0.35 0.02 0.00 0.00 175.30 175.78 2wdh n PRO 76 N 4.25 -0.43 -1.35 3.54 -0.04 -1.26 -4.72 135.00 134.99 2wdh n PRO 76 Ca 0.09 -0.06 -0.24 0.00 -0.04 0.00 0.00 63.50 63.25 2wdh n PRO 76 Cb 0.47 -2.34 0.18 0.00 -0.04 0.00 0.00 33.50 31.77 2wdh n PRO 76 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2wdh n GLU 77 N -4.03 -1.61 -4.19 0.54 2.13 -1.26 -4.78 120.64 107.45 2wdh n GLU 77 Ca 0.12 -1.62 -0.18 0.00 0.66 0.00 0.00 57.16 56.13 2wdh n GLU 77 Cb 0.52 -1.20 -0.12 0.00 0.27 0.00 0.00 31.44 30.91 2wdh n GLU 77 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2wdh s GLN 78 N -5.30 0.83 0.37 5.31 -0.21 -1.26 -0.25 119.66 119.15 2wdh s GLN 78 Ca 0.61 -0.93 0.15 0.00 0.02 0.00 0.00 55.36 55.21 2wdh s GLN 78 Cb -0.03 -0.84 0.73 0.00 1.00 0.00 0.00 33.01 33.88 2wdh s GLN 78 CO 0.44 0.19 1.80 0.28 -2.12 0.00 0.00 175.29 175.88 2wdh h VAL 79 N 4.31 1.15 -3.51 1.09 2.07 -1.86 -3.35 116.25 116.14 2wdh h VAL 79 Ca -0.41 -1.38 -0.68 0.00 0.82 0.00 0.00 66.70 65.05 2wdh h VAL 79 Cb 1.19 1.77 -0.37 0.00 -1.52 0.00 0.00 31.29 32.37 2wdh h VAL 79 CO 0.40 0.38 -0.47 -0.63 0.02 0.00 0.00 177.57 177.28 2wdh s ILE 80 N -3.98 3.34 -0.00 4.57 1.01 -1.26 -4.84 121.20 120.04 2wdh s ILE 80 Ca -0.02 -2.87 -0.24 0.00 0.00 0.00 0.00 60.65 57.51 2wdh s ILE 80 Cb 0.13 -3.23 -0.18 0.00 0.01 0.00 0.00 42.46 39.19 2wdh s ILE 80 CO 0.71 -0.82 1.31 0.45 0.00 0.00 0.00 174.94 176.58 2wdh h HIS 81 N 7.10 0.12 -3.20 3.97 3.86 0.89 -3.46 115.15 124.42 2wdh h HIS 81 Ca -0.05 -0.04 -0.15 0.00 -1.16 0.00 0.00 60.37 58.98 2wdh h HIS 81 Cb 0.96 -0.03 -0.23 0.00 1.06 0.00 0.00 27.41 29.17 2wdh h HIS 81 CO 0.63 0.55 -0.40 -1.58 0.86 0.00 0.00 177.93 177.99 2wdh s HIS 82 N -4.33 -0.17 -0.42 2.45 5.65 0.18 -5.02 115.29 113.63 2wdh s HIS 82 Ca -0.15 0.36 0.04 0.00 0.25 0.00 0.00 55.06 55.56 2wdh s HIS 82 Cb 0.03 0.06 0.17 0.00 -1.18 0.00 0.00 32.58 31.65 2wdh s HIS 82 CO 0.70 -0.24 0.39 -1.50 -0.65 0.00 0.00 174.74 173.44 2wdh s ILE 83 N -0.63 0.01 0.87 0.89 2.07 -1.26 -1.47 121.20 121.67 2wdh s ILE 83 Ca -0.07 -2.06 -0.12 0.00 -1.41 0.00 0.00 60.65 56.99 2wdh s ILE 83 Cb -0.04 -0.96 0.11 0.00 0.13 0.00 0.00 42.46 41.70 2wdh s ILE 83 CO 0.02 -0.93 1.11 -0.60 -1.91 0.00 0.00 174.94 172.63 2wdh s ARG 84 N 0.49 1.52 -0.22 3.50 6.06 -1.09 -4.91 118.95 124.29 2wdh s ARG 84 Ca 0.29 0.51 0.02 0.00 -2.50 0.00 0.00 55.73 54.04 2wdh s ARG 84 Cb -0.02 -1.86 0.05 0.00 0.06 0.00 0.00 34.95 33.17 2wdh s ARG 84 CO -0.13 -1.99 -0.11 0.50 -2.50 0.00 0.00 175.30 171.07 2wdh s ARG 85 N -5.17 2.20 0.00 5.12 3.00 -1.26 -3.64 118.95 119.20 2wdh s ARG 85 Ca 0.63 -1.06 0.00 0.00 -1.00 0.00 0.00 55.73 54.30 2wdh s ARG 85 Cb -0.15 -2.64 0.00 0.00 0.00 0.00 0.00 34.95 32.15 2wdh s ARG 85 CO 0.54 -0.47 0.00 -0.89 0.00 0.00 0.00 175.30 174.48 2wdh n ILE 86 N 4.58 0.00 -0.56 4.11 2.08 -0.86 -4.81 119.36 123.89 2wdh n ILE 86 Ca -0.15 0.00 -0.23 0.00 0.56 0.00 0.00 62.75 62.93 2wdh n ILE 86 Cb 0.45 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 39.30 2wdh n ILE 86 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 2wdh n SER 87 N 0.00 0.38 -4.77 4.38 2.88 -1.06 -4.92 113.62 110.50 2wdh n SER 87 Ca 0.00 0.36 -0.23 0.00 -1.33 0.00 0.00 58.87 57.67 2wdh n SER 87 Cb 0.00 -0.31 -0.06 0.00 -0.75 0.00 0.00 64.21 63.09 2wdh n SER 87 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2wdh s LYS 88 N 1.39 2.33 0.48 -1.46 1.02 -1.18 -4.84 119.74 117.49 2wdh s LYS 88 Ca 0.39 -1.70 0.18 0.00 0.02 0.00 0.00 55.97 54.86 2wdh s LYS 88 Cb -0.53 -2.12 1.19 0.00 -0.52 0.00 0.00 37.83 35.85 2wdh s LYS 88 CO 0.27 -0.08 2.05 -1.00 -0.92 0.00 0.00 175.35 175.68 2wdh h PRO 89 N 1.36 0.00 -0.39 -1.68 0.13 -1.97 -2.09 132.00 127.36 2wdh h PRO 89 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2wdh h PRO 89 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2wdh h PRO 89 CO 0.65 0.13 0.00 0.41 -0.23 0.00 0.00 178.00 178.96 2wdh n GLY 90 N -1.08 1.19 2.69 1.56 0.00 -1.26 -4.61 105.19 103.69 2wdh n GLY 90 Ca -0.02 -0.57 -0.05 0.00 0.00 0.00 0.00 46.02 45.38 2wdh n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wdh n ARG 91 N 0.95 0.27 -1.24 1.61 0.63 -0.83 -5.16 116.66 112.89 2wdh n ARG 91 Ca 0.18 -0.96 -0.36 0.00 -0.92 0.00 0.00 57.85 55.79 2wdh n ARG 91 Cb 0.45 -0.48 0.08 0.00 0.45 0.00 0.00 32.46 32.97 2wdh n ARG 91 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2wdh n ARG 92 N 1.75 0.30 -3.80 -0.14 5.12 -0.92 -3.08 116.66 115.88 2wdh n ARG 92 Ca 0.05 0.15 -0.29 0.00 -1.93 0.00 0.00 57.85 55.82 2wdh n ARG 92 Cb 0.68 -1.97 -0.16 0.00 -1.16 0.00 0.00 32.46 29.85 2wdh n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2wdh s VAL 93 N -1.94 1.04 0.04 1.55 1.01 -1.26 -4.84 120.40 115.99 2wdh s VAL 93 Ca 0.67 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 61.46 2wdh s VAL 93 Cb -0.33 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2wdh s VAL 93 CO 0.56 -0.41 0.12 -0.31 0.00 0.00 0.00 175.10 175.07 2wdh s TYR 94 N 1.58 3.34 -0.07 5.22 2.02 -1.26 -1.21 117.35 126.96 2wdh s TYR 94 Ca 0.03 0.19 -0.06 0.00 -0.37 0.00 0.00 57.07 56.86 2wdh s TYR 94 Cb -0.18 -1.71 0.02 0.00 -0.40 0.00 0.00 41.96 39.69 2wdh s TYR 94 CO -0.15 0.56 0.19 0.14 -1.57 0.00 0.00 175.55 174.72 2wdh s VAL 95 N -1.34 0.00 0.69 0.71 -7.23 -0.80 -4.90 120.40 107.52 2wdh s VAL 95 Ca 0.28 -0.01 -0.11 0.00 -1.81 0.00 0.00 61.98 60.33 2wdh s VAL 95 Cb -0.12 -0.27 0.00 0.00 0.56 0.00 0.00 36.38 36.55 2wdh s VAL 95 CO 0.20 -0.01 1.07 -0.83 -0.31 0.00 0.00 175.10 175.22 2wdh s GLY 96 N 0.07 1.65 0.29 2.32 0.00 -1.26 -2.00 107.32 108.39 2wdh s GLY 96 Ca -0.00 -0.13 0.04 0.00 0.00 0.00 0.00 44.72 44.62 2wdh s GLY 96 CO 0.00 0.20 1.66 -0.24 0.00 0.00 0.00 173.10 174.73 2wdh h VAL 97 N -0.62 0.37 0.00 1.40 3.04 -1.91 0.26 116.25 118.78 2wdh h VAL 97 Ca -0.45 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 2wdh h VAL 97 Cb 1.22 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 2wdh h VAL 97 CO 0.61 0.05 0.00 0.29 -1.01 0.00 0.00 177.57 177.51 2wdh n LYS 98 N -5.15 0.58 -0.00 4.17 5.02 -1.26 -3.19 118.16 118.34 2wdh n LYS 98 Ca 0.22 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.53 2wdh n LYS 98 Cb 0.70 -1.23 -0.02 0.00 -0.02 0.00 0.00 35.03 34.46 2wdh n LYS 98 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2wdh n GLU 99 N -0.73 2.87 -1.68 1.97 1.02 0.89 -5.00 120.64 119.97 2wdh n GLU 99 Ca 0.07 -0.01 -0.56 0.00 -0.02 0.00 0.00 57.16 56.64 2wdh n GLU 99 Cb 0.03 -0.85 -0.07 0.00 -0.02 0.00 0.00 31.44 30.53 2wdh n GLU 99 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2wdh n ILE 100 N -1.34 0.24 -1.32 -3.67 5.41 -1.19 -4.89 119.36 112.59 2wdh n ILE 100 Ca -0.00 -0.04 -0.29 0.00 1.00 0.00 0.00 62.75 63.42 2wdh n ILE 100 Cb 0.05 -1.15 0.15 0.00 -0.71 0.00 0.00 39.64 37.99 2wdh n ILE 100 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2wdh s PRO 101 N 2.81 0.81 -0.38 0.38 0.02 -1.26 -5.05 135.00 132.34 2wdh s PRO 101 Ca 0.95 0.46 -0.03 0.00 0.02 0.00 0.00 61.00 62.39 2wdh s PRO 101 Cb -1.03 -1.79 0.09 0.00 0.02 0.00 0.00 34.50 31.79 2wdh s PRO 101 CO 0.61 -2.46 0.15 1.03 -0.33 0.00 0.00 177.00 176.00 2wdh s ARG 102 N -5.09 2.16 -0.20 5.54 0.52 -1.26 -4.88 118.95 115.74 2wdh s ARG 102 Ca 0.64 -1.64 -0.28 0.00 -0.52 0.00 0.00 55.73 53.94 2wdh s ARG 102 Cb -0.17 -3.49 -0.00 0.00 0.52 0.00 0.00 34.95 31.81 2wdh s ARG 102 CO 0.56 -0.94 0.97 0.08 0.02 0.00 0.00 175.30 175.99 2wdh s VAL 103 N 1.20 4.76 -1.21 3.52 1.01 -1.26 -3.83 120.40 124.58 2wdh s VAL 103 Ca 0.04 1.90 -0.05 0.00 0.00 0.00 0.00 61.98 63.87 2wdh s VAL 103 Cb -0.22 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 31.91 2wdh s VAL 103 CO -0.03 -0.10 1.04 -1.14 0.00 0.00 0.00 175.10 174.88 2wdh n ARG 104 N 5.86 -6.99 -0.44 2.72 3.00 -1.26 -0.01 116.66 119.53 2wdh n ARG 104 Ca 0.09 0.78 0.00 0.00 -0.00 0.00 0.00 57.85 58.72 2wdh n ARG 104 Cb 0.47 -5.66 0.00 0.00 0.00 0.00 0.00 32.46 27.27 2wdh n ARG 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2wdh n ARG 105 N -4.42 -1.76 0.00 -0.14 5.12 -1.25 -1.63 116.66 112.58 2wdh n ARG 105 Ca -0.10 0.20 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 2wdh n ARG 105 Cb 0.60 -3.54 0.00 0.00 -1.16 0.00 0.00 32.46 28.36 2wdh n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wdh n GLY 106 N 0.36 1.40 0.11 -0.13 0.00 -0.91 -5.04 105.19 100.99 2wdh n GLY 106 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 2wdh n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wdh h LEU 107 N 0.00 -0.15-10.12 0.99 3.38 -1.11 -3.46 115.31 104.84 2wdh h LEU 107 Ca 0.00 -0.23 -0.49 0.00 0.09 0.00 0.00 57.88 57.25 2wdh h LEU 107 Cb 0.00 0.04 0.06 0.00 0.09 0.00 0.00 40.66 40.85 2wdh h LEU 107 CO 0.00 0.15 0.40 -0.83 0.09 0.00 0.00 178.44 178.25 2wdh s GLY 108 N -2.71 2.42 0.66 0.83 0.00 0.98 -4.98 107.32 104.52 2wdh s GLY 108 Ca -0.15 0.62 0.04 0.00 0.00 0.00 0.00 44.72 45.23 2wdh s GLY 108 CO 0.62 0.95 0.92 -1.50 0.00 0.00 0.00 173.10 174.09 2wdh s ILE 109 N -2.07 2.11 -0.41 0.90 2.07 0.08 -4.14 121.20 119.75 2wdh s ILE 109 Ca 0.68 -0.78 0.08 0.00 -1.41 0.00 0.00 60.65 59.22 2wdh s ILE 109 Cb -0.19 -2.33 0.18 0.00 0.13 0.00 0.00 42.46 40.25 2wdh s ILE 109 CO 0.28 0.00 0.63 0.00 -1.91 0.00 0.00 174.94 173.94 2wdh s ALA 110 N -2.95 -2.38 0.52 1.50 0.00 -1.26 -2.59 121.76 114.60 2wdh s ALA 110 Ca 0.65 0.24 -0.21 0.00 0.00 0.00 0.00 51.96 52.64 2wdh s ALA 110 Cb -0.05 -2.73 -0.06 0.00 0.00 0.00 0.00 23.12 20.28 2wdh s ALA 110 CO 0.42 -2.21 1.19 0.42 0.00 0.00 0.00 175.76 175.58 2wdh s ILE 111 N 1.88 2.90 -0.26 0.00 1.01 -0.35 -1.61 121.20 124.76 2wdh s ILE 111 Ca 0.16 0.61 -0.26 0.00 0.00 0.00 0.00 60.65 61.16 2wdh s ILE 111 Cb -0.04 -3.28 0.11 0.00 0.01 0.00 0.00 42.46 39.26 2wdh s ILE 111 CO -0.08 -0.07 0.96 -1.48 0.00 0.00 0.00 174.94 174.28 2wdh s LEU 112 N -3.55 -0.50 -0.11 2.97 0.05 -0.69 -2.03 118.68 114.83 2wdh s LEU 112 Ca 0.70 0.93 -0.15 0.00 0.05 0.00 0.00 54.13 55.66 2wdh s LEU 112 Cb -0.29 2.01 -0.05 0.00 -2.05 0.00 0.00 46.19 45.81 2wdh s LEU 112 CO 0.33 -0.20 0.38 -0.55 -0.55 0.00 0.00 176.35 175.76 2wdh s SER 113 N 0.11 6.61 0.40 1.48 0.15 -0.82 -1.69 113.70 119.93 2wdh s SER 113 Ca 0.02 0.72 0.03 0.00 0.70 0.00 0.00 55.95 57.42 2wdh s SER 113 Cb -0.04 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 2wdh s SER 113 CO -0.04 0.13 0.08 0.42 1.20 0.00 0.00 173.24 175.04 2wdh s THR 114 N 0.10 0.91 -2.00 6.45 -4.23 -1.05 -0.52 115.64 115.31 2wdh s THR 114 Ca 0.21 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.83 2wdh s THR 114 Cb -0.15 -2.48 0.31 0.00 1.34 0.00 0.00 72.50 71.53 2wdh s THR 114 CO 0.08 0.00 1.21 -1.54 -0.54 0.00 0.00 174.62 173.83 2wdh n SER 115 N -1.10 0.00 -2.49 3.99 3.41 -1.26 -2.09 113.62 114.07 2wdh n SER 115 Ca -0.07 -1.12 -0.16 0.00 -0.26 0.00 0.00 58.87 57.25 2wdh n SER 115 Cb 0.66 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.63 2wdh n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wdh n LYS 116 N -0.73 2.55 -0.65 4.33 5.02 -1.26 -5.11 118.16 122.31 2wdh n LYS 116 Ca 0.08 -3.91 0.08 0.00 -2.02 0.00 0.00 58.31 52.54 2wdh n LYS 116 Cb 0.04 -1.87 -0.03 0.00 -0.02 0.00 0.00 35.03 33.15 2wdh n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdh n GLY 117 N -0.45 -2.02 3.66 0.72 0.00 -0.89 -4.80 105.19 101.41 2wdh n GLY 117 Ca 0.26 -1.34 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 2wdh n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdh s VAL 118 N -2.22 3.89 0.40 1.61 1.01 -1.26 -2.53 120.40 121.29 2wdh s VAL 118 Ca 0.00 1.07 0.04 0.00 0.00 0.00 0.00 61.98 63.08 2wdh s VAL 118 Cb 0.00 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 2wdh s VAL 118 CO 0.00 -0.10 0.13 0.18 0.00 0.00 0.00 175.10 175.30 2wdh n LEU 119 N 6.96 0.00 -4.85 3.92 4.77 -0.68 -4.97 117.00 122.14 2wdh n LEU 119 Ca 0.16 -2.99 -0.25 0.00 -0.03 0.00 0.00 56.01 52.90 2wdh n LEU 119 Cb 0.44 0.93 -0.03 0.00 -2.33 0.00 0.00 43.42 42.43 2wdh n LEU 119 CO 0.60 -0.46 -0.02 0.42 -1.33 0.00 0.00 177.39 176.60 2wdh s THR 120 N -2.99 2.00 0.38 -5.08 -4.23 -1.26 -1.70 115.64 102.76 2wdh s THR 120 Ca 0.18 -1.53 0.31 0.00 -1.18 0.00 0.00 61.69 59.47 2wdh s THR 120 Cb 0.01 -2.53 0.31 0.00 1.34 0.00 0.00 72.50 71.63 2wdh s THR 120 CO 0.13 0.00 1.95 -2.24 -0.54 0.00 0.00 174.62 173.91 2wdh h ASP 121 N 1.00 0.00 0.00 3.99 2.03 -1.64 0.13 116.42 121.92 2wdh h ASP 121 Ca -0.39 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 55.78 2wdh h ASP 121 Cb 1.28 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.77 2wdh h ASP 121 CO 0.61 0.00 -1.36 0.54 -1.03 0.00 0.00 179.24 178.00 2wdh n ARG 122 N -2.70 0.51 0.01 4.15 1.74 -1.26 -3.83 116.66 115.29 2wdh n ARG 122 Ca -0.02 0.21 -0.10 0.00 -0.77 0.00 0.00 57.85 57.17 2wdh n ARG 122 Cb 0.18 -1.39 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 2wdh n ARG 122 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2wdh h GLU 123 N -0.94 -0.24 -0.16 5.56 5.08 -1.93 1.58 114.58 123.53 2wdh h GLU 123 Ca -0.18 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2wdh h GLU 123 Cb 1.12 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 2wdh h GLU 123 CO -0.11 -0.16 -0.20 0.00 -1.00 0.00 0.00 179.01 177.54 2wdh h ALA 124 N 0.75 -0.12 0.15 3.43 0.00 -1.00 0.36 119.26 122.83 2wdh h ALA 124 Ca 0.09 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wdh h ALA 124 Cb 0.38 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2wdh h ALA 124 CO -0.25 -0.64 -0.18 -0.09 0.00 0.00 0.00 179.25 178.08 2wdh h ARG 125 N -0.23 -0.33 -0.97 0.00 2.43 -1.32 -2.50 114.38 111.45 2wdh h ARG 125 Ca 0.11 0.02 0.22 0.00 -0.81 0.00 0.00 59.98 59.52 2wdh h ARG 125 Cb 0.40 0.08 -0.18 0.00 -0.42 0.00 0.00 29.97 29.84 2wdh h ARG 125 CO -0.30 -0.22 -0.17 1.17 -1.51 0.00 0.00 179.97 178.94 2wdh n LYS 126 N -3.45 -0.08 0.25 0.20 4.81 0.53 0.23 118.16 120.65 2wdh n LYS 126 Ca -0.04 1.50 0.17 0.00 -0.87 0.00 0.00 58.31 59.07 2wdh n LYS 126 Cb 0.16 -2.28 0.87 0.00 0.02 0.00 0.00 35.03 33.80 2wdh n LYS 126 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2wdh h LEU 127 N 0.00 0.00 -1.85 3.14 7.12 -0.01 -3.46 115.31 120.25 2wdh h LEU 127 Ca 0.50 0.00 -0.04 0.00 0.13 0.00 0.00 57.88 58.48 2wdh h LEU 127 Cb 0.85 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 41.00 2wdh h LEU 127 CO -0.98 0.00 -0.08 0.61 -0.13 0.00 0.00 178.44 177.86 2wdh n GLY 128 N -0.95 0.41 0.22 3.75 0.00 0.64 -5.08 105.19 104.18 2wdh n GLY 128 Ca -0.02 -0.44 -0.01 0.00 0.00 0.00 0.00 46.02 45.55 2wdh n GLY 128 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wdh n VAL 129 N -1.50 0.00 -3.69 1.61 0.24 -1.03 -4.98 118.33 108.99 2wdh n VAL 129 Ca -0.03 -0.16 -0.07 0.00 -2.04 0.00 0.00 64.34 62.04 2wdh n VAL 129 Cb 0.52 0.07 -0.02 0.00 -1.47 0.00 0.00 33.84 32.94 2wdh n VAL 129 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2wdh s GLY 130 N -1.16 -0.30 0.00 7.63 0.00 -1.26 -3.51 107.32 108.72 2wdh s GLY 130 Ca 0.02 0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.92 2wdh s GLY 130 CO 0.02 0.05 0.00 0.61 0.00 0.00 0.00 173.10 173.78 2wdh n GLY 131 N -0.42 0.76 3.55 0.20 0.00 -0.85 -4.56 105.19 103.88 2wdh n GLY 131 Ca -0.08 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 2wdh n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wdh s GLU 132 N 1.06 2.64 -0.41 1.61 2.12 0.32 -1.91 118.70 124.13 2wdh s GLU 132 Ca 0.00 0.11 -0.31 0.00 0.36 0.00 0.00 54.97 55.13 2wdh s GLU 132 Cb 0.00 -4.72 -0.10 0.00 0.26 0.00 0.00 34.13 29.57 2wdh s GLU 132 CO 0.00 -2.99 2.29 -0.11 -0.54 0.00 0.00 175.26 173.91 2wdh n LEU 133 N 13.08 2.23 0.07 2.70 0.00 -0.35 -1.95 117.00 132.78 2wdh n LEU 133 Ca 0.29 0.16 -0.22 0.00 0.00 0.00 0.00 56.01 56.24 2wdh n LEU 133 Cb 0.50 -1.36 -0.15 0.00 0.00 0.00 0.00 43.42 42.41 2wdh n LEU 133 CO 0.66 -0.90 -0.12 0.40 0.00 0.00 0.00 177.39 177.44 2wdh h ILE 134 N 7.32 1.37 0.00 1.96 1.08 -1.74 -2.82 117.51 124.67 2wdh h ILE 134 Ca -0.27 -2.57 0.00 0.00 -0.39 0.00 0.00 64.86 61.63 2wdh h ILE 134 Cb 1.29 3.09 0.00 0.00 -3.07 0.00 0.00 36.82 38.13 2wdh h ILE 134 CO 1.07 0.75 0.00 0.00 -0.69 0.00 0.00 178.15 179.28 2wdh s GLU 136 N -2.00 1.21 -0.06 0.00 -1.05 -1.24 -1.21 118.70 114.35 2wdh s GLU 136 Ca 0.00 -1.29 -0.15 0.00 -0.15 0.00 0.00 54.97 53.38 2wdh s GLU 136 Cb 0.00 -1.38 0.03 0.00 -0.44 0.00 0.00 34.13 32.34 2wdh s GLU 136 CO 0.00 0.30 0.36 0.08 0.95 0.00 0.00 175.26 176.95 2wdh s VAL 137 N -1.59 0.03 0.00 1.83 1.01 -1.07 -2.68 120.40 117.94 2wdh s VAL 137 Ca 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2wdh s VAL 137 Cb -0.08 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.69 2wdh s VAL 137 CO 0.05 -0.15 0.00 -2.67 0.00 0.00 0.00 175.10 172.33