#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdv h GLY 12 N 0.00 0.35 0.74 4.83 0.00 -2.06 -3.08 103.07 103.85 2wdv h GLY 12 Ca 0.00 -0.71 0.05 0.00 0.00 0.00 0.00 47.33 46.67 2wdv h GLY 12 CO 0.00 0.63 0.44 -2.08 0.00 0.00 0.00 176.54 175.52 2wdv h VAL 13 N 0.14 1.02 0.15 4.60 2.07 -2.05 -1.00 116.25 121.18 2wdv h VAL 13 Ca -0.09 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 2wdv h VAL 13 Cb 1.72 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2wdv h VAL 13 CO 0.17 0.15 -0.07 -0.74 0.02 0.00 0.00 177.57 177.10 2wdv h HIS 14 N 0.81 -0.19 -0.18 1.57 6.17 -2.00 -2.16 115.15 119.17 2wdv h HIS 14 Ca 0.32 -0.00 0.05 0.00 0.71 0.00 0.00 60.37 61.45 2wdv h HIS 14 Cb 0.14 0.06 -0.06 0.00 2.52 0.00 0.00 27.41 30.07 2wdv h HIS 14 CO -0.06 -0.11 -0.25 -0.44 0.71 0.00 0.00 177.93 177.79 2wdv h ASP 15 N -0.22 -0.78 -0.79 3.26 5.19 -1.40 -0.95 116.42 120.72 2wdv h ASP 15 Ca -0.02 0.13 0.16 0.00 -0.62 0.00 0.00 57.03 56.68 2wdv h ASP 15 Cb 0.17 0.35 -0.10 0.00 0.18 0.00 0.00 39.33 39.93 2wdv h ASP 15 CO 0.03 -0.29 0.32 0.15 -3.12 0.00 0.00 179.24 176.34 2wdv h PHE 16 N -0.29 0.54 -0.04 4.55 3.57 -0.99 -0.93 116.94 123.36 2wdv h PHE 16 Ca 0.12 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 2wdv h PHE 16 Cb 0.46 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.09 2wdv h PHE 16 CO -0.37 0.04 -0.20 0.82 -2.23 0.00 0.00 178.31 176.37 2wdv h ILE 17 N 0.44 1.47 -0.24 1.41 2.04 -0.95 -2.92 117.51 118.75 2wdv h ILE 17 Ca 0.45 -1.68 0.05 0.00 1.00 0.00 0.00 64.86 64.69 2wdv h ILE 17 Cb 0.72 2.45 -0.05 0.00 -0.74 0.00 0.00 36.82 39.20 2wdv h ILE 17 CO -0.44 0.46 -0.11 -0.07 0.00 0.00 0.00 178.15 178.00 2wdv h LEU 18 N -0.36 -0.36 -0.57 1.44 3.38 -0.74 0.94 115.31 119.03 2wdv h LEU 18 Ca -0.01 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.16 2wdv h LEU 18 Cb 0.86 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.72 2wdv h LEU 18 CO 0.04 -0.14 0.03 0.58 0.09 0.00 0.00 178.44 179.04 2wdv h VAL 19 N -0.07 0.56 -0.00 1.22 2.07 -1.26 -0.85 116.25 117.91 2wdv h VAL 19 Ca 0.13 -0.05 -0.16 0.00 0.82 0.00 0.00 66.70 67.44 2wdv h VAL 19 Cb 0.26 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2wdv h VAL 19 CO -0.29 0.03 -0.76 0.03 0.02 0.00 0.00 177.57 176.59 2wdv h ARG 20 N 0.14 0.03 -0.29 1.57 3.08 -1.21 -2.33 114.38 115.37 2wdv h ARG 20 Ca 0.30 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.21 2wdv h ARG 20 Cb 0.47 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2wdv h ARG 20 CO -0.47 0.77 -0.24 0.00 -1.07 0.00 0.00 179.97 178.97 2wdv h ALA 21 N 1.22 0.42 -0.33 0.04 0.00 -0.38 -2.51 119.26 117.72 2wdv h ALA 21 Ca -0.01 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 2wdv h ALA 21 Cb 1.34 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2wdv h ALA 21 CO 0.10 0.40 -0.13 1.79 0.00 0.00 0.00 179.25 181.41 2wdv h THR 22 N 0.42 1.24 -0.79 0.00 1.35 -1.16 -2.69 112.91 111.29 2wdv h THR 22 Ca 0.05 -1.09 -0.04 0.00 -0.55 0.00 0.00 66.41 64.78 2wdv h THR 22 Cb 0.79 1.13 -0.04 0.00 -1.73 0.00 0.00 68.15 68.31 2wdv h THR 22 CO 0.06 0.36 0.35 0.00 -0.25 0.00 0.00 175.52 176.04 2wdv h ALA 23 N 1.33 1.02 -0.40 6.62 0.00 -1.30 0.14 119.26 126.67 2wdv h ALA 23 Ca 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wdv h ALA 23 Cb 0.54 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2wdv h ALA 23 CO 0.03 0.61 0.24 0.82 0.00 0.00 0.00 179.25 180.96 2wdv h ILE 24 N 1.13 1.14 0.37 0.00 2.04 -1.14 0.10 117.51 121.15 2wdv h ILE 24 Ca 0.27 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2wdv h ILE 24 Cb 0.17 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2wdv h ILE 24 CO -0.03 0.14 -0.23 0.58 0.00 0.00 0.00 178.15 178.61 2wdv h VAL 25 N 0.53 0.52 -0.87 1.67 2.07 -1.14 -2.29 116.25 116.74 2wdv h VAL 25 Ca 0.14 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.73 2wdv h VAL 25 Cb 0.01 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 2wdv h VAL 25 CO -0.03 0.00 0.56 -0.07 0.02 0.00 0.00 177.57 178.06 2wdv h LEU 26 N -0.57 0.86 -0.37 2.57 3.38 -0.61 -0.96 115.31 119.61 2wdv h LEU 26 Ca -0.04 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2wdv h LEU 26 Cb 0.47 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2wdv h LEU 26 CO 0.04 0.56 0.22 0.74 0.09 0.00 0.00 178.44 180.08 2wdv h THR 27 N 0.98 1.04 -0.93 0.22 2.02 -0.56 0.07 112.91 115.76 2wdv h THR 27 Ca 0.37 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.41 2wdv h THR 27 Cb 0.20 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 67.12 2wdv h THR 27 CO -0.13 0.08 0.62 -0.07 0.37 0.00 0.00 175.52 176.39 2wdv h LEU 28 N 0.44 1.07 -0.81 2.58 3.38 -0.64 -0.25 115.31 121.09 2wdv h LEU 28 Ca 0.14 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 2wdv h LEU 28 Cb -0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 2wdv h LEU 28 CO -0.06 0.77 -0.14 0.22 0.09 0.00 0.00 178.44 179.32 2wdv h TYR 29 N 1.26 0.82 -0.17 1.13 3.20 -0.67 -0.05 116.97 122.49 2wdv h TYR 29 Ca 0.35 -0.16 -0.18 0.00 3.14 0.00 0.00 58.73 61.88 2wdv h TYR 29 Cb -0.13 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 37.93 2wdv h TYR 29 CO -0.00 0.84 -0.61 0.82 -1.64 0.00 0.00 178.16 177.56 2wdv h ILE 30 N 0.67 1.32 -0.45 1.81 2.04 -0.38 -0.46 117.51 122.06 2wdv h ILE 30 Ca 0.11 -1.88 0.05 0.00 1.00 0.00 0.00 64.86 64.14 2wdv h ILE 30 Cb 0.61 1.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.49 2wdv h ILE 30 CO 0.04 0.59 0.17 0.40 0.00 0.00 0.00 178.15 179.35 2wdv h ILE 31 N 0.44 0.88 0.01 -0.67 2.04 -0.83 0.90 117.51 120.28 2wdv h ILE 31 Ca -0.01 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.74 2wdv h ILE 31 Cb 1.18 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 2wdv h ILE 31 CO 0.12 0.06 -0.06 0.22 0.00 0.00 0.00 178.15 178.50 2wdv h TYR 32 N 0.35 -0.14 -0.29 1.37 3.20 -0.80 0.09 116.97 120.75 2wdv h TYR 32 Ca 0.21 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.96 2wdv h TYR 32 Cb 0.19 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 2wdv h TYR 32 CO -0.14 -0.09 -0.29 0.52 -1.64 0.00 0.00 178.16 176.52 2wdv h MET 33 N -0.10 0.71 -0.80 1.82 2.86 -0.96 -2.39 114.93 116.07 2wdv h MET 33 Ca 0.02 -0.38 0.02 0.00 -2.06 0.00 0.00 59.70 57.30 2wdv h MET 33 Cb 0.13 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 2wdv h MET 33 CO -0.05 0.99 0.53 0.28 1.06 0.00 0.00 176.91 179.72 2wdv h VAL 34 N 0.46 1.17 0.34 -2.22 2.07 -0.83 -2.46 116.25 114.79 2wdv h VAL 34 Ca 0.05 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2wdv h VAL 34 Cb 0.87 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 2wdv h VAL 34 CO 0.07 0.19 -0.50 1.23 0.02 0.00 0.00 177.57 178.58 2wdv h GLY 35 N 1.04 -1.22 0.10 2.17 0.00 -0.60 -1.74 103.07 102.83 2wdv h GLY 35 Ca 0.30 0.61 0.04 0.00 0.00 0.00 0.00 47.33 48.28 2wdv h GLY 35 CO -0.08 -0.33 -0.38 -2.75 0.00 0.00 0.00 176.54 173.00 2wdv h PHE 36 N -0.88 -1.08 0.33 5.60 3.57 -1.29 -3.06 116.94 120.13 2wdv h PHE 36 Ca -0.04 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2wdv h PHE 36 Cb 0.81 0.49 -0.03 0.00 2.79 0.00 0.00 35.95 40.00 2wdv h PHE 36 CO -0.33 -0.46 -0.50 0.74 -2.23 0.00 0.00 178.31 175.54 2wdv h PHE 37 N -0.48 -1.41 0.00 0.41 0.04 -1.35 -2.32 116.94 111.83 2wdv h PHE 37 Ca 0.07 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.87 2wdv h PHE 37 Cb 0.61 0.57 0.00 0.00 2.20 0.00 0.00 35.95 39.33 2wdv h PHE 37 CO -0.44 -0.62 0.00 0.00 -0.60 0.00 0.00 178.31 176.65 2wdv n ALA 38 N -2.85 1.90 -2.82 2.45 0.00 -0.66 -3.34 120.51 115.20 2wdv n ALA 38 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.23 2wdv n ALA 38 Cb 0.42 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.92 2wdv n ALA 38 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2wdv n THR 39 N -0.20 -0.09 -1.88 0.00 -2.24 -0.88 -4.93 114.28 104.07 2wdv n THR 39 Ca 0.00 -1.96 0.00 0.00 -2.27 0.00 0.00 64.05 59.82 2wdv n THR 39 Cb 0.05 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 2wdv n THR 39 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wdv n SER 40 N 1.15 0.00 0.00 3.42 3.41 -1.20 -4.84 113.62 115.56 2wdv n SER 40 Ca 0.10 -0.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.79 2wdv n SER 40 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 2wdv n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wdv n GLY 41 N 0.00 0.66 1.95 5.00 0.00 -1.26 -4.40 105.19 107.14 2wdv n GLY 41 Ca 0.00 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2wdv n GLY 41 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wdv n GLU 42 N 3.92 0.00 -1.77 1.61 -0.58 -1.26 -4.80 120.64 117.76 2wdv n GLU 42 Ca 0.00 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.41 2wdv n GLU 42 Cb 0.00 -0.82 -0.02 0.00 -0.57 0.00 0.00 31.44 30.03 2wdv n GLU 42 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2wdv n LEU 43 N 2.97 7.05 -4.69 -4.62 4.77 -1.26 -4.96 117.00 116.25 2wdv n LEU 43 Ca 0.22 -4.50 -0.37 0.00 -0.03 0.00 0.00 56.01 51.34 2wdv n LEU 43 Cb -0.03 -1.20 0.06 0.00 -2.33 0.00 0.00 43.42 39.93 2wdv n LEU 43 CO 0.49 1.81 0.78 1.07 -1.33 0.00 0.00 177.39 180.21 2wdv n THR 44 N 0.53 4.56 0.06 -5.08 5.66 -1.26 -4.83 114.28 113.91 2wdv n THR 44 Ca 0.52 -0.50 0.21 0.00 -3.05 0.00 0.00 64.05 61.23 2wdv n THR 44 Cb 0.40 -1.37 0.74 0.00 -1.55 0.00 0.00 70.33 68.55 2wdv n THR 44 CO 0.00 0.00 0.00 0.22 -3.05 0.00 0.00 175.07 172.24 2wdv h TYR 45 N 0.49 0.00 0.10 1.09 3.20 -2.00 -2.38 116.97 117.48 2wdv h TYR 45 Ca -0.50 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.24 2wdv h TYR 45 Cb 1.35 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.63 2wdv h TYR 45 CO 0.39 0.00 -0.55 1.49 -1.64 0.00 0.00 178.16 177.86 2wdv h GLU 46 N 0.00 0.20 -0.29 1.82 4.81 -1.99 -2.39 114.58 116.74 2wdv h GLU 46 Ca 0.21 -0.35 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 2wdv h GLU 46 Cb 1.05 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 2wdv h GLU 46 CO -0.00 1.17 -0.12 -0.39 -0.73 0.00 0.00 179.01 178.93 2wdv h VAL 47 N -0.58 1.23 0.95 0.32 -1.51 -1.89 -2.81 116.25 111.97 2wdv h VAL 47 Ca -0.10 -1.00 -0.05 0.00 -1.23 0.00 0.00 66.70 64.33 2wdv h VAL 47 Cb 1.44 1.14 0.01 0.00 -2.13 0.00 0.00 31.29 31.74 2wdv h VAL 47 CO 0.10 0.33 -0.46 -0.25 -1.23 0.00 0.00 177.57 176.06 2wdv h TRP 48 N 0.45 -1.18 0.00 5.19 2.91 -1.48 -2.53 115.95 119.30 2wdv h TRP 48 Ca 0.08 -0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.04 2wdv h TRP 48 Cb 0.48 0.39 -0.01 0.00 -0.51 0.00 0.00 29.16 29.52 2wdv h TRP 48 CO 0.02 -0.74 -0.17 0.97 -1.03 0.00 0.00 178.44 177.49 2wdv h ILE 49 N -1.28 0.72 -0.02 2.65 2.10 -1.46 -1.84 117.51 118.39 2wdv h ILE 49 Ca -0.13 -0.69 -0.18 0.00 1.08 0.00 0.00 64.86 64.94 2wdv h ILE 49 Cb 0.98 1.42 0.01 0.00 -1.09 0.00 0.00 36.82 38.14 2wdv h ILE 49 CO 0.21 0.16 -0.71 1.23 -1.08 0.00 0.00 178.15 177.97 2wdv h GLY 50 N 0.95 0.57 0.73 8.18 0.00 -1.52 -0.49 103.07 111.49 2wdv h GLY 50 Ca -0.00 -0.96 0.04 0.00 0.00 0.00 0.00 47.33 46.40 2wdv h GLY 50 CO 0.02 0.85 0.12 -2.75 0.00 0.00 0.00 176.54 174.79 2wdv h PHE 51 N 0.07 0.22 -0.00 5.60 3.57 -1.25 -2.76 116.94 122.38 2wdv h PHE 51 Ca -0.08 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2wdv h PHE 51 Cb 1.40 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.09 2wdv h PHE 51 CO 0.13 0.10 0.00 1.19 -2.23 0.00 0.00 178.31 177.50 2wdv n PHE 52 N -5.01 0.00 -0.02 0.41 3.72 -0.71 -3.27 117.46 112.59 2wdv n PHE 52 Ca 0.01 -0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.47 2wdv n PHE 52 Cb 0.11 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.50 2wdv n PHE 52 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wdv n ALA 53 N -0.83 2.51 -1.71 4.37 0.00 -0.20 -4.72 120.51 119.94 2wdv n ALA 53 Ca 0.18 -0.66 -0.43 0.00 0.00 0.00 0.00 53.44 52.53 2wdv n ALA 53 Cb 0.09 -0.68 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 2wdv n ALA 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wdv n SER 54 N -2.41 3.23 -0.27 0.00 2.88 -1.13 -4.88 113.62 111.04 2wdv n SER 54 Ca -0.09 1.16 0.02 0.00 -1.33 0.00 0.00 58.87 58.63 2wdv n SER 54 Cb 0.69 -1.51 0.15 0.00 -0.75 0.00 0.00 64.21 62.79 2wdv n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wdv h ALA 55 N 3.98 1.09 -1.00 -1.46 0.00 -1.93 -1.33 119.26 118.61 2wdv h ALA 55 Ca -0.46 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.52 2wdv h ALA 55 Cb 1.26 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 2wdv h ALA 55 CO 0.73 0.07 0.65 0.35 0.00 0.00 0.00 179.25 181.06 2wdv h PHE 56 N 0.74 1.22 -0.06 0.00 3.57 -1.94 -0.80 116.94 119.68 2wdv h PHE 56 Ca 0.37 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.69 2wdv h PHE 56 Cb 0.33 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 38.66 2wdv h PHE 56 CO -0.07 0.69 -0.84 1.15 -2.23 0.00 0.00 178.31 177.01 2wdv h THR 57 N 1.25 1.36 0.24 4.41 2.02 -1.64 -2.71 112.91 117.83 2wdv h THR 57 Ca 0.40 -2.23 -0.01 0.00 0.77 0.00 0.00 66.41 65.35 2wdv h THR 57 Cb 0.03 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 2wdv h THR 57 CO -0.13 0.68 -0.11 0.11 0.37 0.00 0.00 175.52 176.43 2wdv h LYS 58 N 0.32 -0.31 0.59 6.66 1.57 -0.81 -2.70 116.57 121.89 2wdv h LYS 58 Ca -0.06 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2wdv h LYS 58 Cb 1.46 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.84 2wdv h LYS 58 CO 0.15 -0.12 -0.31 0.28 -0.57 0.00 0.00 179.45 178.88 2wdv h VAL 59 N -0.43 0.36 -0.90 0.50 2.07 -1.24 -1.85 116.25 114.76 2wdv h VAL 59 Ca -0.03 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.69 2wdv h VAL 59 Cb 0.33 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.39 2wdv h VAL 59 CO 0.05 0.00 0.59 0.15 0.02 0.00 0.00 177.57 178.39 2wdv h PHE 60 N -0.84 0.52 0.04 1.57 -0.00 -1.57 0.25 116.94 116.91 2wdv h PHE 60 Ca -0.08 0.02 -0.27 0.00 -0.00 0.00 0.00 57.97 57.64 2wdv h PHE 60 Cb 0.66 -0.16 0.02 0.00 -0.00 0.00 0.00 35.95 36.47 2wdv h PHE 60 CO -0.06 0.14 -1.08 1.15 -0.00 0.00 0.00 178.31 178.46 2wdv h THR 61 N 0.39 1.32 -0.38 4.41 2.02 -1.11 0.08 112.91 119.64 2wdv h THR 61 Ca 0.46 -2.39 -0.14 0.00 0.77 0.00 0.00 66.41 65.11 2wdv h THR 61 Cb 1.18 2.50 -0.01 0.00 -1.74 0.00 0.00 68.15 70.08 2wdv h THR 61 CO -0.17 0.73 -0.32 -0.07 0.37 0.00 0.00 175.52 176.05 2wdv h LEU 62 N 0.31 0.94 -0.75 2.58 3.38 -0.44 -0.25 115.31 121.09 2wdv h LEU 62 Ca -0.13 -0.45 0.08 0.00 0.09 0.00 0.00 57.88 57.46 2wdv h LEU 62 Cb 1.74 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 42.16 2wdv h LEU 62 CO 0.20 1.20 0.42 0.25 0.09 0.00 0.00 178.44 180.60 2wdv h LEU 63 N 0.70 0.61 -0.96 1.67 5.85 -0.52 -1.33 115.31 121.32 2wdv h LEU 63 Ca 0.07 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 2wdv h LEU 63 Cb 0.91 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 2wdv h LEU 63 CO 0.08 0.37 -0.40 0.00 -0.34 0.00 0.00 178.44 178.15 2wdv h ALA 64 N 1.40 1.12 -0.32 1.25 0.00 -0.59 -2.05 119.26 120.07 2wdv h ALA 64 Ca 0.35 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 2wdv h ALA 64 Cb 0.27 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2wdv h ALA 64 CO -0.22 0.58 -0.47 -0.07 0.00 0.00 0.00 179.25 179.08 2wdv h LEU 65 N 0.20 0.96 -0.70 0.00 3.38 -0.27 -1.26 115.31 117.63 2wdv h LEU 65 Ca 0.02 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2wdv h LEU 65 Cb 0.80 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 2wdv h LEU 65 CO 0.06 1.28 0.44 -0.26 0.09 0.00 0.00 178.44 180.06 2wdv h PHE 66 N 0.67 0.90 -0.55 1.13 0.04 -1.12 -0.41 116.94 117.60 2wdv h PHE 66 Ca 0.03 0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.88 2wdv h PHE 66 Cb 1.07 -0.30 -0.06 0.00 2.20 0.00 0.00 35.95 38.86 2wdv h PHE 66 CO 0.07 0.58 0.24 0.77 -0.60 0.00 0.00 178.31 179.38 2wdv h SER 67 N 0.95 0.31 -0.46 2.17 0.02 -1.12 -1.84 113.55 113.57 2wdv h SER 67 Ca 0.25 0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 61.17 2wdv h SER 67 Cb -0.07 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2wdv h SER 67 CO -0.05 0.20 -0.03 0.40 -1.14 0.00 0.00 176.83 176.21 2wdv h ILE 68 N 0.46 1.25 -0.30 3.27 2.04 -0.73 0.29 117.51 123.79 2wdv h ILE 68 Ca 0.26 -1.10 0.07 0.00 1.00 0.00 0.00 64.86 65.09 2wdv h ILE 68 Cb 0.24 0.89 -0.08 0.00 -0.74 0.00 0.00 36.82 37.13 2wdv h ILE 68 CO -0.22 0.39 -0.23 0.25 0.00 0.00 0.00 178.15 178.34 2wdv h LEU 69 N 0.81 -0.75 0.24 1.44 5.85 -0.33 -0.05 115.31 122.52 2wdv h LEU 69 Ca 0.15 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 2wdv h LEU 69 Cb 0.52 0.37 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2wdv h LEU 69 CO 0.03 -0.26 -0.11 0.40 -0.34 0.00 0.00 178.44 178.15 2wdv h ILE 70 N -0.20 0.00 -0.43 4.05 2.04 -1.01 -2.88 117.51 119.08 2wdv h ILE 70 Ca 0.16 -0.34 0.07 0.00 1.00 0.00 0.00 64.86 65.76 2wdv h ILE 70 Cb 0.45 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.44 2wdv h ILE 70 CO -0.42 0.00 -0.42 -0.74 0.00 0.00 0.00 178.15 176.57 2wdv h HIS 71 N -0.66 -1.22 -0.25 1.37 2.76 -0.44 -1.20 115.15 115.52 2wdv h HIS 71 Ca -0.03 0.07 -0.06 0.00 -2.20 0.00 0.00 60.37 58.15 2wdv h HIS 71 Cb 0.25 0.59 -0.01 0.00 1.55 0.00 0.00 27.41 29.79 2wdv h HIS 71 CO 0.04 -0.43 -0.10 0.00 -1.30 0.00 0.00 177.93 176.14 2wdv h ALA 72 N 0.49 1.37 0.14 5.26 0.00 -1.15 -1.40 119.26 123.99 2wdv h ALA 72 Ca 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2wdv h ALA 72 Cb 0.58 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2wdv h ALA 72 CO -0.59 0.43 -0.07 2.35 0.00 0.00 0.00 179.25 181.37 2wdv h TRP 73 N 0.37 -0.18 -0.23 0.00 -0.00 -1.01 0.21 115.95 115.10 2wdv h TRP 73 Ca 0.07 -0.00 0.04 0.00 -0.00 0.00 0.00 58.89 59.00 2wdv h TRP 73 Cb 0.41 0.06 -0.04 0.00 -0.00 0.00 0.00 29.16 29.59 2wdv h TRP 73 CO 0.01 0.10 -0.01 0.82 -0.00 0.00 0.00 178.44 179.36 2wdv h ILE 74 N -0.46 0.82 -0.00 2.65 2.04 -1.15 -0.38 117.51 121.03 2wdv h ILE 74 Ca -0.02 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.85 2wdv h ILE 74 Cb 0.36 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 2wdv h ILE 74 CO 0.03 0.01 -0.20 1.23 0.00 0.00 0.00 178.15 179.22 2wdv h GLY 75 N 0.06 -0.29 1.41 5.37 0.00 -1.11 -1.10 103.07 107.42 2wdv h GLY 75 Ca 0.11 0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 2wdv h GLY 75 CO -0.20 -0.18 0.26 -0.33 0.00 0.00 0.00 176.54 176.09 2wdv h MET 76 N -0.33 0.77 -0.75 4.80 2.86 -0.42 -1.61 114.93 120.26 2wdv h MET 76 Ca 0.06 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 2wdv h MET 76 Cb 0.41 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 2wdv h MET 76 CO -0.19 0.61 0.34 2.35 1.06 0.00 0.00 176.91 181.08 2wdv h TRP 77 N 0.77 1.09 -0.22 -0.22 7.01 -0.53 -0.71 115.95 123.15 2wdv h TRP 77 Ca 0.19 -0.05 -0.03 0.00 2.11 0.00 0.00 58.89 61.11 2wdv h TRP 77 Cb 0.09 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 26.81 2wdv h TRP 77 CO 0.01 0.80 0.03 1.96 -2.79 0.00 0.00 178.44 178.45 2wdv h GLN 78 N 1.07 0.36 -0.09 2.65 4.20 -0.30 -1.71 115.11 121.29 2wdv h GLN 78 Ca 0.26 -0.10 0.03 0.00 0.06 0.00 0.00 58.65 58.90 2wdv h GLN 78 Cb 0.13 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 2wdv h GLN 78 CO -0.03 0.51 -0.08 0.28 -0.67 0.00 0.00 178.83 178.83 2wdv h VAL 79 N 0.16 0.76 -0.37 -0.54 2.07 -1.11 -1.70 116.25 115.52 2wdv h VAL 79 Ca 0.07 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.63 2wdv h VAL 79 Cb 0.32 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 2wdv h VAL 79 CO 0.00 0.00 0.12 -0.07 0.02 0.00 0.00 177.57 177.64 2wdv h LEU 80 N -0.10 0.10 0.00 2.57 3.38 -1.13 -1.67 115.31 118.47 2wdv h LEU 80 Ca 0.06 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2wdv h LEU 80 Cb 0.20 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2wdv h LEU 80 CO -0.15 0.10 0.00 0.35 0.09 0.00 0.00 178.44 178.82 2wdv n THR 81 N -5.04 0.27 -0.01 0.22 -2.24 -0.65 0.12 114.28 106.96 2wdv n THR 81 Ca 0.02 0.07 -0.21 0.00 -2.27 0.00 0.00 64.05 61.65 2wdv n THR 81 Cb 0.14 -0.69 -0.14 0.00 -2.10 0.00 0.00 70.33 67.55 2wdv n THR 81 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2wdv h ASP 82 N 0.00 0.33 0.00 3.42 5.19 -0.53 -3.44 116.42 121.39 2wdv h ASP 82 Ca 0.00 -0.83 -0.32 0.00 -0.62 0.00 0.00 57.03 55.26 2wdv h ASP 82 Cb 0.21 -0.11 -0.06 0.00 0.18 0.00 0.00 39.33 39.55 2wdv h ASP 82 CO 0.00 1.60 -2.22 -1.22 -3.12 0.00 0.00 179.24 174.28 2wdv n TYR 83 N -3.98 0.00 -3.32 4.55 4.01 -0.70 -4.87 117.16 112.85 2wdv n TYR 83 Ca -0.25 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.02 2wdv n TYR 83 Cb 0.87 -0.87 -0.04 0.00 -0.31 0.00 0.00 39.34 38.99 2wdv n TYR 83 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2wdv s VAL 84 N -2.43 5.33 -0.05 -0.72 1.01 0.12 -4.96 120.40 118.70 2wdv s VAL 84 Ca -0.11 -1.84 -0.24 0.00 0.00 0.00 0.00 61.98 59.78 2wdv s VAL 84 Cb 0.06 -4.37 -0.19 0.00 0.00 0.00 0.00 36.38 31.87 2wdv s VAL 84 CO 0.70 -0.92 1.02 0.11 0.00 0.00 0.00 175.10 176.00 2wdv h LYS 85 N 8.50 -0.10 -6.56 2.72 1.79 -1.89 -3.44 116.57 117.59 2wdv h LYS 85 Ca -0.16 0.01 -0.52 0.00 -2.18 0.00 0.00 60.65 57.79 2wdv h LYS 85 Cb 1.08 0.02 0.04 0.00 -1.58 0.00 0.00 32.23 31.79 2wdv h LYS 85 CO 0.94 0.44 1.04 -2.14 -1.08 0.00 0.00 179.45 178.65 2wdv s PRO 86 N -3.58 4.15 0.11 3.15 0.02 -1.26 -4.88 135.00 132.71 2wdv s PRO 86 Ca -0.15 2.54 -0.27 0.00 0.02 0.00 0.00 61.00 63.14 2wdv s PRO 86 Cb 0.00 -3.39 -0.09 0.00 0.02 0.00 0.00 34.50 31.05 2wdv s PRO 86 CO 0.59 -0.78 1.65 1.25 -0.33 0.00 0.00 177.00 179.38 2wdv h LEU 87 N 7.86 -0.65 -0.04 -5.54 5.85 -2.00 -2.37 115.31 118.42 2wdv h LEU 87 Ca -0.44 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.39 2wdv h LEU 87 Cb 1.21 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 42.43 2wdv h LEU 87 CO 0.94 -0.32 -0.34 0.00 -0.34 0.00 0.00 178.44 178.39 2wdv h ALA 88 N 0.33 -0.47 -0.96 1.25 0.00 -1.98 -0.11 119.26 117.32 2wdv h ALA 88 Ca 0.03 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2wdv h ALA 88 Cb 0.45 0.61 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 2wdv h ALA 88 CO -0.13 -0.84 0.61 1.25 0.00 0.00 0.00 179.25 180.14 2wdv h LEU 89 N -0.47 0.97 -0.49 0.00 5.85 -1.93 -0.89 115.31 118.35 2wdv h LEU 89 Ca 0.07 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 2wdv h LEU 89 Cb 0.57 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2wdv h LEU 89 CO -0.30 0.61 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.18 2wdv h ARG 90 N 1.10 0.95 -0.39 1.25 2.43 -0.80 -1.47 114.38 117.44 2wdv h ARG 90 Ca 0.42 -0.37 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2wdv h ARG 90 Cb 0.19 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2wdv h ARG 90 CO -0.18 1.04 0.24 -0.07 -1.51 0.00 0.00 179.97 179.49 2wdv h LEU 91 N 0.80 0.47 -0.48 3.80 3.38 -0.27 -0.81 115.31 122.21 2wdv h LEU 91 Ca 0.12 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.11 2wdv h LEU 91 Cb 0.69 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 2wdv h LEU 91 CO 0.05 0.37 0.16 0.24 0.09 0.00 0.00 178.44 179.35 2wdv h MET 92 N 0.52 0.32 -0.77 1.13 2.86 -0.89 -0.89 114.93 117.21 2wdv h MET 92 Ca 0.14 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 2wdv h MET 92 Cb -0.02 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 2wdv h MET 92 CO -0.03 0.21 0.35 -0.07 1.06 0.00 0.00 176.91 178.43 2wdv h LEU 93 N 0.33 1.02 -1.08 1.22 3.38 -0.91 -1.86 115.31 117.41 2wdv h LEU 93 Ca 0.23 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2wdv h LEU 93 Cb 0.24 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2wdv h LEU 93 CO -0.24 0.88 0.23 1.56 0.09 0.00 0.00 178.44 180.96 2wdv h GLN 94 N 1.09 0.88 0.17 1.13 4.20 -0.70 -0.48 115.11 121.40 2wdv h GLN 94 Ca 0.26 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2wdv h GLN 94 Cb 0.15 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2wdv h GLN 94 CO -0.03 0.73 -0.08 1.25 -0.67 0.00 0.00 178.83 180.03 2wdv h LEU 95 N 0.87 -0.19 -0.38 1.46 5.85 -0.71 0.07 115.31 122.27 2wdv h LEU 95 Ca 0.20 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.95 2wdv h LEU 95 Cb 0.18 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 2wdv h LEU 95 CO -0.02 -0.11 0.10 0.58 -0.34 0.00 0.00 178.44 178.66 2wdv h VAL 96 N -0.27 0.84 -0.65 1.05 2.07 -1.09 -0.84 116.25 117.36 2wdv h VAL 96 Ca -0.02 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2wdv h VAL 96 Cb 0.21 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 2wdv h VAL 96 CO 0.04 0.04 0.27 0.40 0.02 0.00 0.00 177.57 178.35 2wdv h ILE 97 N 0.24 1.23 -0.11 4.57 2.04 -0.89 -0.31 117.51 124.28 2wdv h ILE 97 Ca 0.18 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 2wdv h ILE 97 Cb 0.19 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2wdv h ILE 97 CO -0.22 0.28 -0.06 0.58 0.00 0.00 0.00 178.15 178.73 2wdv h VAL 98 N 0.90 1.33 -0.60 1.67 2.07 -0.69 -1.28 116.25 119.65 2wdv h VAL 98 Ca 0.22 -1.12 0.09 0.00 0.82 0.00 0.00 66.70 66.71 2wdv h VAL 98 Cb 0.18 1.84 -0.07 0.00 -1.52 0.00 0.00 31.29 31.72 2wdv h VAL 98 CO -0.02 0.32 0.23 0.58 0.02 0.00 0.00 177.57 178.70 2wdv h VAL 99 N -0.13 0.79 -0.30 2.57 2.07 -1.07 0.19 116.25 120.37 2wdv h VAL 99 Ca 0.02 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.46 2wdv h VAL 99 Cb 0.53 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 2wdv h VAL 99 CO 0.02 0.08 -0.08 0.00 0.02 0.00 0.00 177.57 177.60 2wdv h ALA 100 N 1.40 0.18 -0.74 1.67 0.00 -0.94 0.79 119.26 121.63 2wdv h ALA 100 Ca 0.30 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 2wdv h ALA 100 Cb 0.35 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2wdv h ALA 100 CO -0.29 -0.47 0.26 -0.07 0.00 0.00 0.00 179.25 178.68 2wdv h LEU 101 N -0.01 1.04 -0.47 0.00 3.38 0.05 -1.05 115.31 118.25 2wdv h LEU 101 Ca 0.15 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2wdv h LEU 101 Cb 0.23 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2wdv h LEU 101 CO -0.32 0.96 0.12 0.58 0.09 0.00 0.00 178.44 179.87 2wdv h VAL 102 N 1.07 1.23 -0.34 1.22 2.07 -0.38 -2.88 116.25 118.25 2wdv h VAL 102 Ca 0.24 -0.81 0.07 0.00 0.82 0.00 0.00 66.70 67.02 2wdv h VAL 102 Cb 0.26 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 2wdv h VAL 102 CO -0.01 0.29 -0.12 0.58 0.02 0.00 0.00 177.57 178.33 2wdv h VAL 103 N 0.64 0.59 -0.68 2.57 2.07 -0.33 -0.59 116.25 120.53 2wdv h VAL 103 Ca 0.15 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.80 2wdv h VAL 103 Cb 0.31 0.59 -0.13 0.00 -1.52 0.00 0.00 31.29 30.55 2wdv h VAL 103 CO 0.00 0.00 -0.24 1.88 0.02 0.00 0.00 177.57 179.23 2wdv h TYR 104 N -0.04 -0.61 -0.48 1.57 -1.99 -1.03 0.76 116.97 115.14 2wdv h TYR 104 Ca 0.17 0.07 -0.13 0.00 2.00 0.00 0.00 58.73 60.83 2wdv h TYR 104 Cb 0.30 0.37 -0.01 0.00 2.00 0.00 0.00 36.73 39.39 2wdv h TYR 104 CO -0.34 -0.34 -0.22 0.28 -0.00 0.00 0.00 178.16 177.54 2wdv h VAL 105 N -0.06 1.27 -0.53 -2.88 2.07 -1.16 -1.06 116.25 113.89 2wdv h VAL 105 Ca 0.30 -1.39 -0.11 0.00 0.82 0.00 0.00 66.70 66.32 2wdv h VAL 105 Cb 0.54 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 2wdv h VAL 105 CO -0.72 0.48 -0.11 0.40 0.02 0.00 0.00 177.57 177.64 2wdv h ILE 106 N 0.86 1.27 -0.14 4.57 2.04 -0.24 -1.20 117.51 124.67 2wdv h ILE 106 Ca 0.11 -1.26 -0.13 0.00 1.00 0.00 0.00 64.86 64.57 2wdv h ILE 106 Cb 0.80 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 2wdv h ILE 106 CO 0.07 0.44 -0.49 0.22 0.00 0.00 0.00 178.15 178.39 2wdv h TYR 107 N 0.89 0.45 -0.52 1.37 3.20 0.64 -1.40 116.97 121.59 2wdv h TYR 107 Ca 0.14 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2wdv h TYR 107 Cb 0.67 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.83 2wdv h TYR 107 CO 0.04 0.79 0.31 0.78 -1.64 0.00 0.00 178.16 178.44 2wdv h GLY 108 N 1.23 0.76 1.68 1.82 0.00 -1.04 -1.13 103.07 106.39 2wdv h GLY 108 Ca 0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 2wdv h GLY 108 CO 0.08 0.31 0.19 0.74 0.00 0.00 0.00 176.54 177.87 2wdv h PHE 109 N 0.70 0.41 -0.00 5.60 -1.00 -0.69 -1.19 116.94 120.76 2wdv h PHE 109 Ca 0.19 0.01 -0.24 0.00 2.81 0.00 0.00 57.97 60.74 2wdv h PHE 109 Cb -0.00 -0.14 0.01 0.00 3.61 0.00 0.00 35.95 39.43 2wdv h PHE 109 CO -0.02 0.27 -0.96 0.28 -1.61 0.00 0.00 178.31 176.26 2wdv h VAL 110 N 0.43 1.36 -0.01 -0.55 2.07 -0.98 -3.06 116.25 115.51 2wdv h VAL 110 Ca 0.12 -2.38 -0.01 0.00 0.82 0.00 0.00 66.70 65.25 2wdv h VAL 110 Cb -0.02 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 2wdv h VAL 110 CO -0.02 0.72 -0.03 0.58 0.02 0.00 0.00 177.57 178.83 2wdv h VAL 111 N 0.28 1.47 0.16 2.57 2.07 -0.73 -3.25 116.25 118.82 2wdv h VAL 111 Ca -0.09 -1.44 -0.35 0.00 0.82 0.00 0.00 66.70 65.63 2wdv h VAL 111 Cb 1.60 2.42 -0.00 0.00 -1.52 0.00 0.00 31.29 33.79 2wdv h VAL 111 CO 0.17 0.38 -1.83 -0.37 0.02 0.00 0.00 177.57 175.95 2wdv h VAL 112 N -0.54 0.84 0.00 2.57 -1.51 -1.40 -3.21 116.25 113.00 2wdv h VAL 112 Ca -0.00 -2.47 0.00 0.00 -1.23 0.00 0.00 66.70 63.00 2wdv h VAL 112 Cb 0.64 2.67 0.00 0.00 -2.13 0.00 0.00 31.29 32.47 2wdv h VAL 112 CO 0.01 0.87 0.00 0.79 -1.23 0.00 0.00 177.57 178.01 2wdv n TRP 113 N -3.54 0.00 -0.44 5.19 5.03 -1.16 -1.85 117.44 120.67 2wdv n TRP 113 Ca -0.27 0.00 0.01 0.00 3.03 0.00 0.00 57.50 60.27 2wdv n TRP 113 Cb 1.07 -0.04 0.01 0.00 -1.03 0.00 0.00 31.31 31.32 2wdv n TRP 113 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2wdv n GLY 114 N 0.16 1.22 0.00 6.99 0.00 -1.21 -4.99 105.19 107.35 2wdv n GLY 114 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2wdv n GLY 114 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70