#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 0.11 0.92 4.83 0.00 -2.06 -3.05 103.07 103.82 2wdv h GLY 12 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.07 2wdv h GLY 12 CO 0.00 0.25 0.50 -2.08 0.00 0.00 0.00 176.54 175.21 2wdv h VAL 13 N 0.03 1.14 0.10 4.60 2.07 -2.05 -1.06 116.25 121.08 2wdv h VAL 13 Ca -0.09 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2wdv h VAL 13 Cb 1.87 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2wdv h VAL 13 CO 0.15 0.18 -0.05 -0.74 0.02 0.00 0.00 177.57 177.13 2wdv h HIS 14 N 0.99 -0.13 -0.30 1.57 6.17 -1.99 -2.09 115.15 119.37 2wdv h HIS 14 Ca 0.30 -0.00 0.05 0.00 0.71 0.00 0.00 60.37 61.43 2wdv h HIS 14 Cb -0.03 0.04 -0.05 0.00 2.52 0.00 0.00 27.41 29.89 2wdv h HIS 14 CO -0.03 -0.02 -0.02 -0.44 0.71 0.00 0.00 177.93 178.13 2wdv h ASP 15 N -0.20 -0.16 -0.64 3.26 5.19 -1.40 -0.86 116.42 121.62 2wdv h ASP 15 Ca -0.01 0.07 0.11 0.00 -0.62 0.00 0.00 57.03 56.58 2wdv h ASP 15 Cb 0.16 0.14 -0.08 0.00 0.18 0.00 0.00 39.33 39.73 2wdv h ASP 15 CO 0.02 -0.05 0.22 0.15 -3.12 0.00 0.00 179.24 176.47 2wdv h PHE 16 N 0.06 0.37 -0.07 4.55 3.57 -0.92 -0.67 116.94 123.85 2wdv h PHE 16 Ca 0.14 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 2wdv h PHE 16 Cb 0.20 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.87 2wdv h PHE 16 CO -0.24 0.06 -0.16 0.82 -2.23 0.00 0.00 178.31 176.57 2wdv h ILE 17 N 0.38 1.42 -0.19 1.41 2.04 -0.98 -2.79 117.51 118.81 2wdv h ILE 17 Ca 0.33 -1.51 0.04 0.00 1.00 0.00 0.00 64.86 64.72 2wdv h ILE 17 Cb 0.45 2.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.74 2wdv h ILE 17 CO -0.35 0.42 -0.06 -0.07 0.00 0.00 0.00 178.15 178.09 2wdv h LEU 18 N -0.28 -0.21 -0.53 1.44 3.38 -0.88 0.11 115.31 118.34 2wdv h LEU 18 Ca -0.00 0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.14 2wdv h LEU 18 Cb 0.76 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.55 2wdv h LEU 18 CO 0.04 -0.08 -0.12 0.58 0.09 0.00 0.00 178.44 178.94 2wdv h VAL 19 N -0.02 0.48 -0.01 1.22 2.07 -1.17 -1.25 116.25 117.57 2wdv h VAL 19 Ca 0.10 -0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.45 2wdv h VAL 19 Cb 0.16 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 2wdv h VAL 19 CO -0.21 0.00 -0.74 0.03 0.02 0.00 0.00 177.57 176.68 2wdv h ARG 20 N 0.01 0.07 -0.15 1.57 3.08 -1.10 -2.17 114.38 115.68 2wdv h ARG 20 Ca 0.25 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 2wdv h ARG 20 Cb 0.39 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2wdv h ARG 20 CO -0.54 0.77 -0.02 0.00 -1.07 0.00 0.00 179.97 179.11 2wdv h ALA 21 N 1.21 0.21 -0.57 0.04 0.00 -0.45 -2.58 119.26 117.12 2wdv h ALA 21 Ca -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2wdv h ALA 21 Cb 1.30 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2wdv h ALA 21 CO 0.10 -0.05 0.24 1.79 0.00 0.00 0.00 179.25 181.33 2wdv h THR 22 N 0.00 1.20 -0.49 0.00 1.35 -1.20 -2.18 112.91 111.60 2wdv h THR 22 Ca 0.04 -0.62 -0.06 0.00 -0.55 0.00 0.00 66.41 65.22 2wdv h THR 22 Cb 0.44 0.51 -0.02 0.00 -1.73 0.00 0.00 68.15 67.35 2wdv h THR 22 CO 0.01 0.25 0.05 0.00 -0.25 0.00 0.00 175.52 175.58 2wdv h ALA 23 N 1.45 1.18 -0.41 6.62 0.00 -1.29 0.13 119.26 126.93 2wdv h ALA 23 Ca 0.20 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2wdv h ALA 23 Cb 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2wdv h ALA 23 CO -0.02 0.55 0.01 0.82 0.00 0.00 0.00 179.25 180.60 2wdv h ILE 24 N 0.74 1.26 0.22 0.00 2.04 -1.00 0.12 117.51 120.89 2wdv h ILE 24 Ca 0.15 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 2wdv h ILE 24 Cb 0.38 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2wdv h ILE 24 CO 0.01 0.34 -0.15 0.58 0.00 0.00 0.00 178.15 178.93 2wdv h VAL 25 N 0.56 0.67 -0.64 1.67 2.07 -0.93 -2.68 116.25 116.98 2wdv h VAL 25 Ca 0.12 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.66 2wdv h VAL 25 Cb 0.47 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2wdv h VAL 25 CO 0.02 0.00 0.42 -0.07 0.02 0.00 0.00 177.57 177.96 2wdv h LEU 26 N -0.37 0.68 -0.30 2.57 3.38 -0.71 -1.77 115.31 118.80 2wdv h LEU 26 Ca -0.02 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2wdv h LEU 26 Cb 0.32 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2wdv h LEU 26 CO 0.01 0.48 0.16 0.74 0.09 0.00 0.00 178.44 179.92 2wdv h THR 27 N 0.80 1.01 -0.91 0.22 2.02 -0.87 -0.38 112.91 114.80 2wdv h THR 27 Ca 0.25 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 2wdv h THR 27 Cb 0.01 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 2wdv h THR 27 CO -0.06 0.06 0.52 -0.07 0.37 0.00 0.00 175.52 176.33 2wdv h LEU 28 N 0.33 1.13 -0.82 2.58 3.38 -1.02 -0.54 115.31 120.36 2wdv h LEU 28 Ca 0.12 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2wdv h LEU 28 Cb 0.02 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2wdv h LEU 28 CO -0.07 0.89 0.04 0.22 0.09 0.00 0.00 178.44 179.62 2wdv h TYR 29 N 1.27 0.99 -0.47 1.13 3.20 -1.00 0.77 116.97 122.87 2wdv h TYR 29 Ca 0.32 -0.14 -0.13 0.00 3.14 0.00 0.00 58.73 61.93 2wdv h TYR 29 Cb 0.00 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 2wdv h TYR 29 CO 0.01 0.87 -0.22 0.82 -1.64 0.00 0.00 178.16 178.00 2wdv h ILE 30 N 0.87 1.27 -0.62 1.81 2.04 -0.54 -0.35 117.51 121.99 2wdv h ILE 30 Ca 0.17 -1.38 0.04 0.00 1.00 0.00 0.00 64.86 64.69 2wdv h ILE 30 Cb 0.45 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 2wdv h ILE 30 CO 0.02 0.47 0.35 0.40 0.00 0.00 0.00 178.15 179.39 2wdv h ILE 31 N 0.82 1.00 0.03 -0.67 2.04 -0.73 0.38 117.51 120.40 2wdv h ILE 31 Ca 0.11 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 2wdv h ILE 31 Cb 0.80 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2wdv h ILE 31 CO 0.07 0.12 -0.02 0.22 0.00 0.00 0.00 178.15 178.54 2wdv h TYR 32 N 0.67 -0.04 -0.31 1.37 3.20 -0.62 -0.31 116.97 120.93 2wdv h TYR 32 Ca 0.26 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 62.00 2wdv h TYR 32 Cb 0.11 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 2wdv h TYR 32 CO -0.07 0.00 -0.31 0.52 -1.64 0.00 0.00 178.16 176.65 2wdv h MET 33 N -0.07 0.76 -0.64 1.82 2.86 -0.83 -2.56 114.93 116.26 2wdv h MET 33 Ca -0.00 -0.40 0.02 0.00 -2.06 0.00 0.00 59.70 57.25 2wdv h MET 33 Cb 0.06 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 2wdv h MET 33 CO 0.01 1.03 0.43 0.28 1.06 0.00 0.00 176.91 179.71 2wdv h VAL 34 N 0.52 1.13 0.54 -2.22 2.07 -0.24 -2.54 116.25 115.51 2wdv h VAL 34 Ca 0.05 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 2wdv h VAL 34 Cb 0.89 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2wdv h VAL 34 CO 0.08 0.15 -0.47 1.23 0.02 0.00 0.00 177.57 178.57 2wdv h GLY 35 N 0.82 -1.19 0.28 2.17 0.00 -0.72 -1.80 103.07 102.63 2wdv h GLY 35 Ca 0.25 0.54 0.04 0.00 0.00 0.00 0.00 47.33 48.16 2wdv h GLY 35 CO -0.06 -0.38 -0.31 -2.75 0.00 0.00 0.00 176.54 173.04 2wdv h PHE 36 N -1.00 -0.85 0.16 5.60 3.57 -1.28 -2.89 116.94 120.23 2wdv h PHE 36 Ca -0.06 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.47 2wdv h PHE 36 Cb 0.86 0.38 -0.03 0.00 2.79 0.00 0.00 35.95 39.95 2wdv h PHE 36 CO -0.21 -0.40 -0.43 0.74 -2.23 0.00 0.00 178.31 175.78 2wdv h PHE 37 N -0.44 -1.23 0.00 0.41 0.04 -1.39 -2.25 116.94 112.08 2wdv h PHE 37 Ca 0.07 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.87 2wdv h PHE 37 Cb 0.55 0.51 0.00 0.00 2.20 0.00 0.00 35.95 39.21 2wdv h PHE 37 CO -0.35 -0.50 0.00 0.00 -0.60 0.00 0.00 178.31 176.86 2wdv n ALA 38 N -2.81 2.01 -2.90 2.45 0.00 -0.68 -3.28 120.51 115.29 2wdv n ALA 38 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.23 2wdv n ALA 38 Cb 0.34 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.33 -0.20 -1.94 0.00 -2.24 -0.85 -4.92 114.28 103.80 2wdv n THR 39 Ca 0.00 -2.42 0.00 0.00 -2.27 0.00 0.00 64.05 59.36 2wdv n THR 39 Cb 0.03 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 1.27 0.00 0.00 3.42 3.41 -1.19 -4.84 113.62 115.69 2wdv n SER 40 Ca 0.13 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 2wdv n SER 40 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 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 0.81 2.34 5.00 0.00 -1.26 -4.40 105.19 107.69 2wdv n GLY 41 Ca 0.00 0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 4.56 0.00 -1.75 1.61 -0.58 -1.26 -4.82 120.64 118.40 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 -1.02 -0.02 0.00 -0.57 0.00 0.00 31.44 29.83 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 4.13 7.03 -4.74 -4.62 4.77 -1.26 -4.95 117.00 117.35 2wdv n LEU 43 Ca 0.31 -4.46 -0.37 0.00 -0.03 0.00 0.00 56.01 51.46 2wdv n LEU 43 Cb -0.03 -1.22 0.06 0.00 -2.33 0.00 0.00 43.42 39.89 2wdv n LEU 43 CO 0.60 1.82 0.90 0.28 -1.33 0.00 0.00 177.39 179.66 2wdv s THR 44 N -2.72 2.17 0.60 -5.08 -1.32 -1.26 -4.83 115.64 103.20 2wdv s THR 44 Ca 0.55 0.11 0.29 0.00 -1.21 0.00 0.00 61.69 61.43 2wdv s THR 44 Cb 0.34 -3.04 0.36 0.00 -1.51 0.00 0.00 72.50 68.65 2wdv s THR 44 CO -0.23 -0.02 1.97 0.22 -2.21 0.00 0.00 174.62 174.35 2wdv h TYR 45 N 0.69 0.00 0.07 9.09 3.20 -1.99 -2.19 116.97 125.84 2wdv h TYR 45 Ca -0.51 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.25 2wdv h TYR 45 Cb 1.33 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.60 2wdv h TYR 45 CO 0.43 0.00 -0.53 1.49 -1.64 0.00 0.00 178.16 177.91 2wdv h GLU 46 N 0.00 0.15 -0.21 1.82 4.81 -1.99 -2.37 114.58 116.78 2wdv h GLU 46 Ca 0.14 -0.25 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 2wdv h GLU 46 Cb 0.89 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2wdv h GLU 46 CO -0.00 1.12 -0.21 -0.39 -0.73 0.00 0.00 179.01 178.79 2wdv h VAL 47 N -0.68 1.24 0.72 0.32 -1.51 -1.86 -2.65 116.25 111.83 2wdv h VAL 47 Ca -0.10 -1.13 -0.04 0.00 -1.23 0.00 0.00 66.70 64.20 2wdv h VAL 47 Cb 1.35 1.32 0.01 0.00 -2.13 0.00 0.00 31.29 31.83 2wdv h VAL 47 CO 0.06 0.35 -0.35 -0.25 -1.23 0.00 0.00 177.57 176.16 2wdv h TRP 48 N 0.35 -0.89 0.00 5.19 2.91 -1.46 -2.56 115.95 119.49 2wdv h TRP 48 Ca 0.06 -0.02 -0.05 0.00 1.13 0.00 0.00 58.89 60.00 2wdv h TRP 48 Cb 0.57 0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 29.51 2wdv h TRP 48 CO 0.01 -0.54 -0.25 0.97 -1.03 0.00 0.00 178.44 177.60 2wdv h ILE 49 N -1.01 0.93 -0.10 2.65 2.10 -1.40 -2.03 117.51 118.64 2wdv h ILE 49 Ca -0.10 -0.95 -0.19 0.00 1.08 0.00 0.00 64.86 64.70 2wdv h ILE 49 Cb 0.75 1.55 0.01 0.00 -1.09 0.00 0.00 36.82 38.05 2wdv h ILE 49 CO 0.16 0.25 -0.67 1.23 -1.08 0.00 0.00 178.15 178.04 2wdv h GLY 50 N 1.10 0.69 0.69 8.18 0.00 -1.48 0.23 103.07 112.48 2wdv h GLY 50 Ca -0.00 -1.02 0.04 0.00 0.00 0.00 0.00 47.33 46.35 2wdv h GLY 50 CO 0.03 0.90 0.11 -2.75 0.00 0.00 0.00 176.54 174.84 2wdv h PHE 51 N 0.26 0.20 -0.02 5.60 3.57 -1.33 -2.87 116.94 122.35 2wdv h PHE 51 Ca -0.06 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.46 2wdv h PHE 51 Cb 1.31 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.02 2wdv h PHE 51 CO 0.11 0.08 0.00 1.19 -2.23 0.00 0.00 178.31 177.46 2wdv n PHE 52 N -5.03 0.03 -0.01 0.41 3.72 -0.78 -3.26 117.46 112.54 2wdv n PHE 52 Ca 0.01 -0.01 0.10 0.00 -0.05 0.00 0.00 57.45 57.49 2wdv n PHE 52 Cb 0.13 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.51 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 -0.64 2.71 -1.72 4.37 0.00 0.06 -4.73 120.51 120.56 2wdv n ALA 53 Ca 0.16 -0.55 -0.43 0.00 0.00 0.00 0.00 53.44 52.62 2wdv n ALA 53 Cb 0.11 -0.74 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 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 -2.32 3.39 -0.23 0.00 2.88 -1.14 -4.88 113.62 111.32 2wdv n SER 54 Ca -0.05 1.16 0.01 0.00 -1.33 0.00 0.00 58.87 58.66 2wdv n SER 54 Cb 0.60 -1.53 0.13 0.00 -0.75 0.00 0.00 64.21 62.66 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 4.16 0.90 -0.96 -1.46 0.00 -1.93 -1.18 119.26 118.78 2wdv h ALA 55 Ca -0.47 0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.57 2wdv h ALA 55 Cb 1.25 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 2wdv h ALA 55 CO 0.75 -0.12 0.63 0.35 0.00 0.00 0.00 179.25 180.85 2wdv h PHE 56 N 0.51 1.15 -0.13 0.00 3.57 -1.93 0.05 116.94 120.16 2wdv h PHE 56 Ca 0.34 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.65 2wdv h PHE 56 Cb 0.39 -0.38 0.01 0.00 2.79 0.00 0.00 35.95 38.76 2wdv h PHE 56 CO -0.14 0.63 -0.77 1.15 -2.23 0.00 0.00 178.31 176.95 2wdv h THR 57 N 1.16 1.31 0.00 4.41 2.02 -1.63 -2.74 112.91 117.43 2wdv h THR 57 Ca 0.40 -2.03 -0.00 0.00 0.77 0.00 0.00 66.41 65.55 2wdv h THR 57 Cb 0.10 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2wdv h THR 57 CO -0.14 0.63 -0.00 0.11 0.37 0.00 0.00 175.52 176.49 2wdv h LYS 58 N 0.46 -0.00 0.45 6.66 1.57 -0.36 -2.54 116.57 122.80 2wdv h LYS 58 Ca -0.05 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2wdv h LYS 58 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.70 2wdv h LYS 58 CO 0.15 0.12 -0.22 0.28 -0.57 0.00 0.00 179.45 179.21 2wdv h VAL 59 N -0.13 0.55 -0.88 0.50 2.07 -1.09 -2.11 116.25 115.16 2wdv h VAL 59 Ca -0.00 -0.20 0.18 0.00 0.82 0.00 0.00 66.70 67.50 2wdv h VAL 59 Cb 0.13 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 30.47 2wdv h VAL 59 CO 0.00 0.04 0.58 0.15 0.02 0.00 0.00 177.57 178.36 2wdv h PHE 60 N -0.73 0.61 -0.03 1.57 -0.00 -1.54 0.19 116.94 117.01 2wdv h PHE 60 Ca -0.06 0.02 -0.25 0.00 -0.00 0.00 0.00 57.97 57.68 2wdv h PHE 60 Cb 0.52 -0.19 0.01 0.00 -0.00 0.00 0.00 35.95 36.30 2wdv h PHE 60 CO -0.02 0.18 -0.96 1.15 -0.00 0.00 0.00 178.31 178.66 2wdv h THR 61 N 0.47 1.31 -0.32 4.41 2.02 -1.16 0.44 112.91 120.09 2wdv h THR 61 Ca 0.46 -2.25 -0.16 0.00 0.77 0.00 0.00 66.41 65.23 2wdv h THR 61 Cb 1.03 2.31 -0.01 0.00 -1.74 0.00 0.00 68.15 69.75 2wdv h THR 61 CO -0.18 0.69 -0.43 -0.07 0.37 0.00 0.00 175.52 175.89 2wdv h LEU 62 N 0.37 0.89 -0.87 2.58 3.38 -0.66 0.12 115.31 121.13 2wdv h LEU 62 Ca -0.10 -0.42 0.06 0.00 0.09 0.00 0.00 57.88 57.50 2wdv h LEU 62 Cb 1.61 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 42.04 2wdv h LEU 62 CO 0.18 1.19 0.54 0.25 0.09 0.00 0.00 178.44 180.70 2wdv h LEU 63 N 0.66 0.86 -0.64 1.67 5.85 -0.57 -1.23 115.31 121.91 2wdv h LEU 63 Ca 0.04 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.63 2wdv h LEU 63 Cb 1.01 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2wdv h LEU 63 CO 0.10 0.55 -0.54 0.00 -0.34 0.00 0.00 178.44 178.21 2wdv h ALA 64 N 1.40 0.83 -0.51 1.25 0.00 -0.53 -1.88 119.26 119.83 2wdv h ALA 64 Ca 0.37 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2wdv h ALA 64 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2wdv h ALA 64 CO -0.17 0.69 -0.05 -0.07 0.00 0.00 0.00 179.25 179.65 2wdv h LEU 65 N 0.30 0.92 -0.68 0.00 3.38 -0.29 -0.95 115.31 117.99 2wdv h LEU 65 Ca 0.01 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 2wdv h LEU 65 Cb 1.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 2wdv h LEU 65 CO 0.09 1.03 0.42 -0.26 0.09 0.00 0.00 178.44 179.81 2wdv h PHE 66 N 0.79 0.89 -0.63 1.13 0.04 -1.09 -0.21 116.94 117.86 2wdv h PHE 66 Ca 0.14 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.98 2wdv h PHE 66 Cb 0.59 -0.29 -0.06 0.00 2.20 0.00 0.00 35.95 38.38 2wdv h PHE 66 CO 0.04 0.59 0.31 0.77 -0.60 0.00 0.00 178.31 179.42 2wdv h SER 67 N 0.93 0.41 -0.34 2.17 0.02 -0.98 -1.58 113.55 114.17 2wdv h SER 67 Ca 0.25 0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 61.16 2wdv h SER 67 Cb -0.05 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2wdv h SER 67 CO -0.05 0.25 -0.07 0.40 -1.14 0.00 0.00 176.83 176.23 2wdv h ILE 68 N 0.55 1.25 -0.39 3.27 2.04 -0.55 0.37 117.51 124.05 2wdv h ILE 68 Ca 0.30 -1.08 0.08 0.00 1.00 0.00 0.00 64.86 65.15 2wdv h ILE 68 Cb 0.27 0.99 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 2wdv h ILE 68 CO -0.23 0.37 -0.08 0.25 0.00 0.00 0.00 178.15 178.47 2wdv h LEU 69 N 0.69 -0.32 0.11 1.44 5.85 -0.13 -0.28 115.31 122.67 2wdv h LEU 69 Ca 0.13 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 2wdv h LEU 69 Cb 0.52 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2wdv h LEU 69 CO 0.03 -0.11 -0.05 0.40 -0.34 0.00 0.00 178.44 178.37 2wdv h ILE 70 N 0.02 0.00 -0.57 4.05 2.04 -0.93 -2.93 117.51 119.20 2wdv h ILE 70 Ca 0.19 -0.81 0.08 0.00 1.00 0.00 0.00 64.86 65.32 2wdv h ILE 70 Cb 0.28 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.26 2wdv h ILE 70 CO -0.38 0.00 -0.47 -0.74 0.00 0.00 0.00 178.15 176.56 2wdv h HIS 71 N -0.96 -1.41 -0.16 1.37 2.76 -0.33 -1.93 115.15 114.50 2wdv h HIS 71 Ca -0.02 0.08 -0.06 0.00 -2.20 0.00 0.00 60.37 58.17 2wdv h HIS 71 Cb 0.11 0.69 -0.01 0.00 1.55 0.00 0.00 27.41 29.75 2wdv h HIS 71 CO 0.00 -0.44 -0.19 0.00 -1.30 0.00 0.00 177.93 176.00 2wdv h ALA 72 N 0.47 1.39 -0.04 5.26 0.00 -1.20 -1.32 119.26 123.81 2wdv h ALA 72 Ca 0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2wdv h ALA 72 Cb 0.56 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2wdv h ALA 72 CO -0.68 0.42 -0.01 2.35 0.00 0.00 0.00 179.25 181.33 2wdv h TRP 73 N 0.25 0.09 -0.26 0.00 -0.00 -1.22 0.66 115.95 115.47 2wdv h TRP 73 Ca 0.04 -0.02 0.03 0.00 -0.00 0.00 0.00 58.89 58.94 2wdv h TRP 73 Cb 0.49 -0.02 -0.03 0.00 -0.00 0.00 0.00 29.16 29.60 2wdv h TRP 73 CO 0.01 0.42 0.08 0.82 -0.00 0.00 0.00 178.44 179.77 2wdv h ILE 74 N -0.26 0.92 -0.07 2.65 2.04 -1.13 -0.46 117.51 121.20 2wdv h ILE 74 Ca 0.01 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.83 2wdv h ILE 74 Cb 0.39 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2wdv h ILE 74 CO 0.00 0.04 -0.07 1.23 0.00 0.00 0.00 178.15 179.35 2wdv h GLY 75 N 0.20 -0.01 1.40 5.37 0.00 -1.13 -1.39 103.07 107.51 2wdv h GLY 75 Ca 0.12 0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.48 2wdv h GLY 75 CO -0.12 -0.08 0.06 -0.33 0.00 0.00 0.00 176.54 176.07 2wdv h MET 76 N -0.09 0.75 -0.95 4.80 2.86 -0.68 -2.16 114.93 119.46 2wdv h MET 76 Ca 0.05 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2wdv h MET 76 Cb 0.17 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 2wdv h MET 76 CO -0.13 0.72 0.60 2.35 1.06 0.00 0.00 176.91 181.51 2wdv h TRP 77 N 0.72 1.22 -0.15 -0.22 7.01 -0.55 -0.28 115.95 123.70 2wdv h TRP 77 Ca 0.15 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 2wdv h TRP 77 Cb 0.34 -0.41 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 2wdv h TRP 77 CO 0.02 0.79 0.04 1.96 -2.79 0.00 0.00 178.44 178.46 2wdv h GLN 78 N 1.30 0.23 -0.13 2.65 4.20 -0.70 -1.36 115.11 121.30 2wdv h GLN 78 Ca 0.34 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 59.03 2wdv h GLN 78 Cb -0.11 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 2wdv h GLN 78 CO -0.07 0.37 -0.05 0.28 -0.67 0.00 0.00 178.83 178.68 2wdv h VAL 79 N 0.06 0.82 -0.41 -0.54 2.07 -1.05 -1.74 116.25 115.47 2wdv h VAL 79 Ca 0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.61 2wdv h VAL 79 Cb 0.23 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 2wdv h VAL 79 CO -0.00 0.00 0.18 -0.07 0.02 0.00 0.00 177.57 177.69 2wdv h LEU 80 N -0.03 0.23 0.00 2.57 3.38 -0.98 -1.81 115.31 118.66 2wdv h LEU 80 Ca 0.07 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2wdv h LEU 80 Cb 0.13 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2wdv h LEU 80 CO -0.15 0.17 0.00 0.35 0.09 0.00 0.00 178.44 178.90 2wdv n THR 81 N -4.96 0.17 0.02 0.22 -2.24 -0.52 0.52 114.28 107.49 2wdv n THR 81 Ca 0.02 0.04 -0.22 0.00 -2.27 0.00 0.00 64.05 61.63 2wdv n THR 81 Cb 0.13 -0.63 -0.14 0.00 -2.10 0.00 0.00 70.33 67.58 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 0.43 0.00 3.42 5.19 -0.60 -3.44 116.42 121.42 2wdv h ASP 82 Ca 0.00 -0.89 -0.29 0.00 -0.62 0.00 0.00 57.03 55.23 2wdv h ASP 82 Cb 0.19 -0.14 -0.05 0.00 0.18 0.00 0.00 39.33 39.50 2wdv h ASP 82 CO 0.00 1.75 -2.10 -1.22 -3.12 0.00 0.00 179.24 174.55 2wdv n TYR 83 N -3.71 0.00 -3.30 4.55 4.01 -0.73 -4.88 117.16 113.10 2wdv n TYR 83 Ca -0.28 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.00 2wdv n TYR 83 Cb 0.99 -0.78 -0.04 0.00 -0.31 0.00 0.00 39.34 39.19 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 -2.39 5.33 -0.04 -0.72 1.01 0.19 -4.95 120.40 118.83 2wdv s VAL 84 Ca -0.11 -1.82 -0.22 0.00 0.00 0.00 0.00 61.98 59.83 2wdv s VAL 84 Cb 0.05 -4.40 -0.15 0.00 0.00 0.00 0.00 36.38 31.88 2wdv s VAL 84 CO 0.62 -0.95 0.94 0.11 0.00 0.00 0.00 175.10 175.82 2wdv h LYS 85 N 8.50 -0.28 -6.56 2.72 1.79 -1.90 -3.44 116.57 117.41 2wdv h LYS 85 Ca -0.15 0.02 -0.55 0.00 -2.18 0.00 0.00 60.65 57.80 2wdv h LYS 85 Cb 1.08 0.06 0.05 0.00 -1.58 0.00 0.00 32.23 31.84 2wdv h LYS 85 CO 0.94 0.11 0.97 -2.30 -1.08 0.00 0.00 179.45 178.08 2wdv n PRO 86 N -4.99 2.55 0.10 3.15 -0.02 -1.26 -4.88 135.00 129.66 2wdv n PRO 86 Ca -0.08 0.92 -0.13 0.00 -2.02 0.00 0.00 63.50 62.19 2wdv n PRO 86 Cb 0.26 -2.75 -0.07 0.00 -0.02 0.00 0.00 33.50 30.91 2wdv n PRO 86 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2wdv h LEU 87 N 6.94 -0.15 0.13 2.45 5.85 -2.00 -2.37 115.31 126.16 2wdv h LEU 87 Ca -0.44 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.30 2wdv h LEU 87 Cb 1.23 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.26 2wdv h LEU 87 CO 0.93 -0.11 -0.29 0.00 -0.34 0.00 0.00 178.44 178.64 2wdv h ALA 88 N 0.71 -0.49 -0.80 1.25 0.00 -1.98 -0.99 119.26 116.96 2wdv h ALA 88 Ca -0.01 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.92 2wdv h ALA 88 Cb 0.14 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 2wdv h ALA 88 CO 0.02 -0.83 0.47 1.25 0.00 0.00 0.00 179.25 180.16 2wdv h LEU 89 N -0.51 0.71 -0.54 0.00 5.85 -1.95 -1.67 115.31 117.20 2wdv h LEU 89 Ca 0.03 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2wdv h LEU 89 Cb 0.53 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2wdv h LEU 89 CO -0.16 0.44 0.09 -0.09 -0.34 0.00 0.00 178.44 178.38 2wdv h ARG 90 N 0.83 0.89 -0.44 1.25 2.43 -0.92 -1.69 114.38 116.74 2wdv h ARG 90 Ca 0.36 -0.23 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 2wdv h ARG 90 Cb 0.24 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 2wdv h ARG 90 CO -0.20 0.86 0.22 -0.07 -1.51 0.00 0.00 179.97 179.27 2wdv h LEU 91 N 0.77 0.32 -0.33 3.80 3.38 -0.82 -0.75 115.31 121.68 2wdv h LEU 91 Ca 0.16 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.20 2wdv h LEU 91 Cb 0.40 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2wdv h LEU 91 CO 0.01 0.23 0.10 0.24 0.09 0.00 0.00 178.44 179.10 2wdv h MET 92 N 0.44 0.22 -0.78 1.13 2.86 -0.92 -0.20 114.93 117.68 2wdv h MET 92 Ca 0.19 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 2wdv h MET 92 Cb 0.09 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.67 2wdv h MET 92 CO -0.13 0.15 0.37 -0.07 1.06 0.00 0.00 176.91 178.29 2wdv h LEU 93 N 0.23 1.02 -0.88 1.22 3.38 -0.95 -1.38 115.31 117.96 2wdv h LEU 93 Ca 0.15 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2wdv h LEU 93 Cb 0.14 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2wdv h LEU 93 CO -0.17 0.87 0.08 1.56 0.09 0.00 0.00 178.44 180.87 2wdv h GLN 94 N 1.12 0.91 0.12 1.13 4.20 -0.37 -0.80 115.11 121.41 2wdv h GLN 94 Ca 0.27 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2wdv h GLN 94 Cb 0.12 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2wdv h GLN 94 CO -0.03 0.86 -0.07 1.25 -0.67 0.00 0.00 178.83 180.16 2wdv h LEU 95 N 0.86 -0.18 -0.49 1.46 5.85 -0.33 0.45 115.31 122.93 2wdv h LEU 95 Ca 0.18 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.98 2wdv h LEU 95 Cb 0.40 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 2wdv h LEU 95 CO 0.01 -0.12 0.16 0.58 -0.34 0.00 0.00 178.44 178.73 2wdv h VAL 96 N -0.19 0.81 -0.38 1.05 2.07 -1.01 -0.79 116.25 117.82 2wdv h VAL 96 Ca -0.01 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 2wdv h VAL 96 Cb 0.16 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2wdv h VAL 96 CO 0.01 0.06 0.07 0.40 0.02 0.00 0.00 177.57 178.13 2wdv h ILE 97 N 0.33 1.24 -0.30 4.57 2.04 -0.87 0.20 117.51 124.71 2wdv h ILE 97 Ca 0.24 -0.84 -0.07 0.00 1.00 0.00 0.00 64.86 65.19 2wdv h ILE 97 Cb 0.27 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2wdv h ILE 97 CO -0.26 0.29 -0.08 0.58 0.00 0.00 0.00 178.15 178.68 2wdv h VAL 98 N 0.48 1.28 -0.47 1.67 2.07 -0.62 -0.92 116.25 119.74 2wdv h VAL 98 Ca 0.12 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.55 2wdv h VAL 98 Cb 0.36 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 2wdv h VAL 98 CO 0.01 0.36 0.25 0.58 0.02 0.00 0.00 177.57 178.78 2wdv h VAL 99 N 0.35 0.99 -0.44 2.57 2.07 -1.04 0.24 116.25 120.99 2wdv h VAL 99 Ca 0.08 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 67.51 2wdv h VAL 99 Cb 0.56 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 2wdv h VAL 99 CO 0.03 0.09 0.00 0.00 0.02 0.00 0.00 177.57 177.71 2wdv h ALA 100 N 1.24 0.41 -0.67 1.67 0.00 -0.75 0.25 119.26 121.40 2wdv h ALA 100 Ca 0.20 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 2wdv h ALA 100 Cb 0.08 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2wdv h ALA 100 CO -0.12 -0.39 0.16 -0.07 0.00 0.00 0.00 179.25 178.83 2wdv h LEU 101 N 0.11 1.00 -0.50 0.00 3.38 -0.14 -0.51 115.31 118.64 2wdv h LEU 101 Ca 0.22 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 2wdv h LEU 101 Cb 0.32 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2wdv h LEU 101 CO -0.36 0.96 -0.17 0.58 0.09 0.00 0.00 178.44 179.53 2wdv h VAL 102 N 1.00 1.27 -0.25 1.22 2.07 -0.68 -2.69 116.25 118.19 2wdv h VAL 102 Ca 0.21 -1.34 0.05 0.00 0.82 0.00 0.00 66.70 66.45 2wdv h VAL 102 Cb 0.36 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 2wdv h VAL 102 CO 0.00 0.47 -0.10 0.58 0.02 0.00 0.00 177.57 178.54 2wdv h VAL 103 N 0.87 0.67 -0.62 2.57 2.07 -0.49 -0.51 116.25 120.80 2wdv h VAL 103 Ca 0.12 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.77 2wdv h VAL 103 Cb 0.75 0.67 -0.11 0.00 -1.52 0.00 0.00 31.29 31.08 2wdv h VAL 103 CO 0.06 0.00 -0.08 1.88 0.02 0.00 0.00 177.57 179.45 2wdv h TYR 104 N -0.05 -0.19 -0.35 1.57 -1.99 -0.79 0.35 116.97 115.51 2wdv h TYR 104 Ca 0.13 0.05 -0.16 0.00 2.00 0.00 0.00 58.73 60.75 2wdv h TYR 104 Cb 0.25 0.18 -0.01 0.00 2.00 0.00 0.00 36.73 39.15 2wdv h TYR 104 CO -0.28 -0.23 -0.42 0.28 -0.00 0.00 0.00 178.16 177.51 2wdv h VAL 105 N 0.05 1.27 -0.65 -2.88 2.07 -1.14 -0.43 116.25 114.54 2wdv h VAL 105 Ca 0.31 -1.60 -0.07 0.00 0.82 0.00 0.00 66.70 66.17 2wdv h VAL 105 Cb 0.50 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 2wdv h VAL 105 CO -0.59 0.53 0.14 0.40 0.02 0.00 0.00 177.57 178.06 2wdv h ILE 106 N 0.72 1.26 -0.16 4.57 2.04 -0.24 -0.81 117.51 124.89 2wdv h ILE 106 Ca 0.05 -0.98 -0.13 0.00 1.00 0.00 0.00 64.86 64.81 2wdv h ILE 106 Cb 1.01 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2wdv h ILE 106 CO 0.10 0.37 -0.45 0.22 0.00 0.00 0.00 178.15 178.39 2wdv h TYR 107 N 0.98 0.46 -0.41 1.37 3.20 -0.21 -0.94 116.97 121.43 2wdv h TYR 107 Ca 0.20 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2wdv h TYR 107 Cb 0.39 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2wdv h TYR 107 CO 0.03 0.77 0.26 0.78 -1.64 0.00 0.00 178.16 178.37 2wdv h GLY 108 N 1.19 0.58 1.92 1.82 0.00 -0.85 -0.74 103.07 106.97 2wdv h GLY 108 Ca 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 2wdv h GLY 108 CO 0.08 0.22 0.00 0.74 0.00 0.00 0.00 176.54 177.58 2wdv h PHE 109 N 0.55 0.11 0.08 5.60 -1.00 -0.47 -1.58 116.94 120.22 2wdv h PHE 109 Ca 0.15 -0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.67 2wdv h PHE 109 Cb -0.05 -0.04 0.01 0.00 3.61 0.00 0.00 35.95 39.49 2wdv h PHE 109 CO -0.04 0.12 -1.12 0.28 -1.61 0.00 0.00 178.31 175.94 2wdv h VAL 110 N 0.11 1.42 -0.02 -0.55 2.07 -0.73 -3.11 116.25 115.45 2wdv h VAL 110 Ca 0.03 -2.71 -0.03 0.00 0.82 0.00 0.00 66.70 64.80 2wdv h VAL 110 Cb 0.08 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2wdv h VAL 110 CO 0.00 0.80 -0.12 0.58 0.02 0.00 0.00 177.57 178.86 2wdv h VAL 111 N 0.17 1.51 0.16 2.57 2.07 -0.73 -3.28 116.25 118.71 2wdv h VAL 111 Ca -0.12 -1.66 -0.33 0.00 0.82 0.00 0.00 66.70 65.40 2wdv h VAL 111 Cb 1.80 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 34.12 2wdv h VAL 111 CO 0.19 0.45 -1.71 -0.37 0.02 0.00 0.00 177.57 176.15 2wdv h VAL 112 N -0.51 0.90 0.00 2.57 -1.51 -1.46 -3.18 116.25 113.06 2wdv h VAL 112 Ca -0.01 -2.44 0.00 0.00 -1.23 0.00 0.00 66.70 63.02 2wdv h VAL 112 Cb 0.79 2.70 0.00 0.00 -2.13 0.00 0.00 31.29 32.65 2wdv h VAL 112 CO 0.02 0.82 0.00 0.79 -1.23 0.00 0.00 177.57 177.98 2wdv n TRP 113 N -3.67 0.00 -0.33 5.19 5.03 -1.18 -1.50 117.44 120.98 2wdv n TRP 113 Ca -0.26 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.27 2wdv n TRP 113 Cb 1.02 -0.02 0.00 0.00 -1.03 0.00 0.00 31.31 31.28 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 0.11 1.16 0.00 6.99 0.00 -1.20 -5.00 105.19 107.25 2wdv n GLY 114 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2wdv n GLY 114 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70