#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdr h GLY 12 N 0.00 0.04 1.09 4.83 0.00 -2.05 -2.92 103.07 104.06 2wdr h GLY 12 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 2wdr h GLY 12 CO 0.00 0.04 -0.14 -2.08 0.00 0.00 0.00 176.54 174.35 2wdr h VAL 13 N 0.04 1.27 0.31 4.60 2.07 -2.05 -1.53 116.25 120.96 2wdr h VAL 13 Ca 0.00 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.22 2wdr h VAL 13 Cb 0.73 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 2wdr h VAL 13 CO 0.05 0.45 -0.36 -0.74 0.02 0.00 0.00 177.57 177.00 2wdr h HIS 14 N 0.86 -0.98 -0.52 1.57 6.17 -1.97 -1.82 115.15 118.46 2wdr h HIS 14 Ca 0.13 0.01 0.10 0.00 0.71 0.00 0.00 60.37 61.32 2wdr h HIS 14 Cb 0.71 0.39 -0.08 0.00 2.52 0.00 0.00 27.41 30.95 2wdr h HIS 14 CO 0.05 -0.50 0.03 -0.44 0.71 0.00 0.00 177.93 177.79 2wdr h ASP 15 N -0.71 -0.15 -0.59 3.26 5.19 -1.48 0.11 116.42 122.05 2wdr h ASP 15 Ca -0.01 0.12 0.06 0.00 -0.62 0.00 0.00 57.03 56.57 2wdr h ASP 15 Cb 0.66 0.19 -0.06 0.00 0.18 0.00 0.00 39.33 40.31 2wdr h ASP 15 CO -0.09 -0.05 0.28 0.15 -3.12 0.00 0.00 179.24 176.41 2wdr h PHE 16 N 0.15 0.52 -0.00 4.55 3.57 -0.98 -1.10 116.94 123.65 2wdr h PHE 16 Ca 0.27 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 2wdr h PHE 16 Cb 0.40 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2wdr h PHE 16 CO -0.29 0.22 -0.01 0.82 -2.23 0.00 0.00 178.31 176.82 2wdr h ILE 17 N 0.53 1.47 -0.36 1.41 2.04 -0.76 -3.10 117.51 118.74 2wdr h ILE 17 Ca 0.27 -1.38 0.07 0.00 1.00 0.00 0.00 64.86 64.82 2wdr h ILE 17 Cb 0.22 2.39 -0.06 0.00 -0.74 0.00 0.00 36.82 38.63 2wdr h ILE 17 CO -0.21 0.36 -0.06 -0.07 0.00 0.00 0.00 178.15 178.18 2wdr h LEU 18 N -0.57 -0.27 -0.45 1.44 3.38 -0.49 0.46 115.31 118.81 2wdr h LEU 18 Ca 0.00 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.15 2wdr h LEU 18 Cb 0.59 0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.47 2wdr h LEU 18 CO 0.00 -0.09 0.02 0.58 0.09 0.00 0.00 178.44 179.04 2wdr h VAL 19 N 0.03 0.67 0.00 1.22 2.07 -1.29 -1.28 116.25 117.67 2wdr h VAL 19 Ca 0.17 -0.05 -0.11 0.00 0.82 0.00 0.00 66.70 67.54 2wdr h VAL 19 Cb 0.26 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2wdr h VAL 19 CO -0.34 0.02 -0.52 0.03 0.02 0.00 0.00 177.57 176.78 2wdr h ARG 20 N 0.13 0.00 -0.02 1.57 3.08 -1.37 -1.84 114.38 115.93 2wdr h ARG 20 Ca 0.23 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 2wdr h ARG 20 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 2wdr h ARG 20 CO -0.36 0.52 -0.01 0.00 -1.07 0.00 0.00 179.97 179.05 2wdr h ALA 21 N 1.48 0.03 -0.08 0.04 0.00 -0.49 -2.74 119.26 117.51 2wdr h ALA 21 Ca -0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2wdr h ALA 21 Cb 0.98 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2wdr h ALA 21 CO 0.07 -0.24 -0.13 1.79 0.00 0.00 0.00 179.25 180.73 2wdr h THR 22 N -0.35 1.14 -0.66 0.00 1.35 -1.21 -2.43 112.91 110.75 2wdr h THR 22 Ca 0.01 -0.64 -0.01 0.00 -0.55 0.00 0.00 66.41 65.21 2wdr h THR 22 Cb 0.44 1.23 -0.03 0.00 -1.73 0.00 0.00 68.15 68.06 2wdr h THR 22 CO 0.00 0.19 0.36 0.00 -0.25 0.00 0.00 175.52 175.83 2wdr h ALA 23 N 1.75 0.85 -0.56 6.62 0.00 -1.23 0.26 119.26 126.96 2wdr h ALA 23 Ca 0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2wdr h ALA 23 Cb 0.31 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2wdr h ALA 23 CO 0.02 0.37 0.16 0.82 0.00 0.00 0.00 179.25 180.62 2wdr h ILE 24 N 0.91 1.24 0.20 0.00 2.04 -1.14 0.14 117.51 120.90 2wdr h ILE 24 Ca 0.23 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 2wdr h ILE 24 Cb 0.05 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2wdr h ILE 24 CO -0.04 0.31 -0.10 0.58 0.00 0.00 0.00 178.15 178.90 2wdr h VAL 25 N 0.79 0.83 0.00 1.67 2.07 -1.17 -1.82 116.25 118.63 2wdr h VAL 25 Ca 0.18 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 2wdr h VAL 25 Cb 0.30 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2wdr h VAL 25 CO -0.00 0.04 -0.22 -0.07 0.02 0.00 0.00 177.57 177.33 2wdr h LEU 26 N -0.34 0.00 -0.84 2.57 3.38 -0.82 -0.36 115.31 118.90 2wdr h LEU 26 Ca -0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 2wdr h LEU 26 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2wdr h LEU 26 CO 0.05 0.22 -0.39 0.74 0.09 0.00 0.00 178.44 179.15 2wdr h THR 27 N 0.00 1.30 -0.23 0.22 2.02 -0.46 -1.27 112.91 114.50 2wdr h THR 27 Ca -0.00 -1.51 -0.17 0.00 0.77 0.00 0.00 66.41 65.50 2wdr h THR 27 Cb 0.42 1.59 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 2wdr h THR 27 CO 0.03 0.46 -0.56 -0.07 0.37 0.00 0.00 175.52 175.75 2wdr h LEU 28 N 0.33 0.78 -0.44 2.58 3.38 -0.26 -2.25 115.31 119.42 2wdr h LEU 28 Ca 0.03 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 2wdr h LEU 28 Cb 0.83 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2wdr h LEU 28 CO 0.07 1.17 0.14 0.22 0.09 0.00 0.00 178.44 180.13 2wdr h TYR 29 N 0.53 0.71 -0.51 1.13 3.20 -0.97 -1.82 116.97 119.24 2wdr h TYR 29 Ca 0.01 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 2wdr h TYR 29 Cb 1.13 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 2wdr h TYR 29 CO 0.06 0.64 0.17 0.82 -1.64 0.00 0.00 178.16 178.20 2wdr h ILE 30 N 0.57 1.23 -0.49 1.81 2.04 -1.21 0.10 117.51 121.56 2wdr h ILE 30 Ca 0.14 -0.76 0.05 0.00 1.00 0.00 0.00 64.86 65.30 2wdr h ILE 30 Cb 0.26 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 2wdr h ILE 30 CO -0.00 0.28 0.22 0.40 0.00 0.00 0.00 178.15 179.04 2wdr h ILE 31 N 0.69 0.90 -0.67 -0.67 2.04 -1.34 0.14 117.51 118.61 2wdr h ILE 31 Ca 0.17 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.82 2wdr h ILE 31 Cb 0.26 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 2wdr h ILE 31 CO -0.01 0.08 0.16 0.22 0.00 0.00 0.00 178.15 178.60 2wdr h TYR 32 N 0.42 1.10 -0.02 1.37 3.20 -0.90 0.17 116.97 122.32 2wdr h TYR 32 Ca 0.23 -0.12 -0.26 0.00 3.14 0.00 0.00 58.73 61.72 2wdr h TYR 32 Cb 0.18 -0.31 0.02 0.00 1.54 0.00 0.00 36.73 38.16 2wdr h TYR 32 CO -0.13 0.90 -1.00 0.52 -1.64 0.00 0.00 178.16 176.81 2wdr h MET 33 N 1.01 0.68 -0.17 1.82 2.86 -0.48 -2.48 114.93 118.17 2wdr h MET 33 Ca 0.21 -0.71 -0.09 0.00 -2.06 0.00 0.00 59.70 57.05 2wdr h MET 33 Cb 0.35 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 2wdr h MET 33 CO 0.00 1.29 -0.29 0.28 1.06 0.00 0.00 176.91 179.25 2wdr h VAL 34 N 0.39 1.27 -0.12 -2.22 2.07 -0.71 -2.61 116.25 114.32 2wdr h VAL 34 Ca -0.11 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 66.17 2wdr h VAL 34 Cb 1.65 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 32.83 2wdr h VAL 34 CO 0.19 0.39 -0.16 1.23 0.02 0.00 0.00 177.57 179.25 2wdr h GLY 35 N 1.05 -0.10 0.66 2.17 0.00 -0.53 -0.13 103.07 106.18 2wdr h GLY 35 Ca 0.04 0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.56 2wdr h GLY 35 CO 0.05 -0.16 -0.33 -2.75 0.00 0.00 0.00 176.54 173.35 2wdr h PHE 36 N -0.20 -0.88 -0.38 5.60 3.57 -1.29 -2.99 116.94 120.36 2wdr h PHE 36 Ca 0.09 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.65 2wdr h PHE 36 Cb 0.33 0.34 -0.05 0.00 2.79 0.00 0.00 35.95 39.37 2wdr h PHE 36 CO -0.27 -0.47 0.08 0.74 -2.23 0.00 0.00 178.31 176.16 2wdr h PHE 37 N -0.69 0.14 0.00 0.41 0.04 -1.33 -2.02 116.94 113.48 2wdr h PHE 37 Ca -0.02 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2wdr h PHE 37 Cb 0.63 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.77 2wdr h PHE 37 CO -0.19 0.03 0.00 0.00 -0.60 0.00 0.00 178.31 177.55 2wdr h ALA 38 N 1.28 1.00 -2.06 2.45 0.00 -0.99 -3.32 119.26 117.62 2wdr h ALA 38 Ca 0.18 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.53 2wdr h ALA 38 Cb 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.61 2wdr h ALA 38 CO -0.23 0.00 -1.07 0.25 0.00 0.00 0.00 179.25 178.20 2wdr n THR 39 N -2.55 -0.64 0.00 0.00 -2.24 -0.76 -4.87 114.28 103.22 2wdr n THR 39 Ca -0.01 -3.98 0.00 0.00 -2.27 0.00 0.00 64.05 57.79 2wdr n THR 39 Cb 0.13 -1.93 0.00 0.00 -2.10 0.00 0.00 70.33 66.44 2wdr n THR 39 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wdr n SER 40 N 1.58 0.00 0.00 3.42 3.41 -1.20 -4.87 113.62 115.96 2wdr n SER 40 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 2wdr n SER 40 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2wdr n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wdr n GLY 41 N 0.15 2.54 3.52 5.00 0.00 -1.26 -4.70 105.19 110.43 2wdr n GLY 41 Ca 0.00 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 2wdr n GLY 41 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wdr n GLU 42 N 13.08 0.41 -1.76 1.61 -0.58 -1.26 -4.84 120.64 127.30 2wdr n GLU 42 Ca 0.00 -0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 2wdr n GLU 42 Cb 0.00 -2.28 -0.00 0.00 -0.57 0.00 0.00 31.44 28.59 2wdr n GLU 42 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2wdr n LEU 43 N 12.68 6.97 -4.80 -4.62 4.77 -1.26 -4.91 117.00 125.82 2wdr n LEU 43 Ca 0.55 -4.20 -0.33 0.00 -0.03 0.00 0.00 56.01 51.99 2wdr n LEU 43 Cb 0.24 -1.64 0.01 0.00 -2.33 0.00 0.00 43.42 39.70 2wdr n LEU 43 CO 0.85 1.20 0.72 0.42 -1.33 0.00 0.00 177.39 179.24 2wdr s THR 44 N 2.85 3.79 0.22 -5.08 -4.23 -1.26 -4.87 115.64 107.06 2wdr s THR 44 Ca 0.48 0.87 0.26 0.00 -1.18 0.00 0.00 61.69 62.12 2wdr s THR 44 Cb 0.14 -3.38 0.26 0.00 1.34 0.00 0.00 72.50 70.85 2wdr s THR 44 CO -0.08 -0.48 1.76 0.22 -0.54 0.00 0.00 174.62 175.51 2wdr h TYR 45 N 0.53 0.00 0.06 3.99 3.20 -2.00 -2.04 116.97 120.71 2wdr h TYR 45 Ca -0.47 0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.05 2wdr h TYR 45 Cb 1.22 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.45 2wdr h TYR 45 CO 0.58 0.00 -2.01 -1.91 -1.64 0.00 0.00 178.16 173.18 2wdr n GLU 46 N -2.51 0.70 0.16 1.82 2.13 -1.26 -2.45 120.64 119.23 2wdr n GLU 46 Ca -0.02 0.23 0.04 0.00 0.66 0.00 0.00 57.16 58.08 2wdr n GLU 46 Cb 0.20 -1.69 0.13 0.00 0.27 0.00 0.00 31.44 30.34 2wdr n GLU 46 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 2wdr h VAL 47 N 0.03 0.79 0.14 6.31 -1.51 -1.80 -1.83 116.25 118.39 2wdr h VAL 47 Ca -0.41 -1.94 -0.01 0.00 -1.23 0.00 0.00 66.70 63.11 2wdr h VAL 47 Cb 2.03 2.26 0.00 0.00 -2.13 0.00 0.00 31.29 33.45 2wdr h VAL 47 CO 0.06 0.42 -0.07 -0.25 -1.23 0.00 0.00 177.57 176.50 2wdr h TRP 48 N 0.00 -0.18 0.00 5.19 2.91 -1.51 -2.90 115.95 119.47 2wdr h TRP 48 Ca -0.00 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.96 2wdr h TRP 48 Cb 1.23 0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 29.93 2wdr h TRP 48 CO 0.00 0.28 -0.27 0.97 -1.03 0.00 0.00 178.44 178.39 2wdr h ILE 49 N -0.77 0.99 -0.33 2.65 2.10 -1.54 -2.76 117.51 117.84 2wdr h ILE 49 Ca -0.02 -0.98 -0.07 0.00 1.08 0.00 0.00 64.86 64.87 2wdr h ILE 49 Cb 0.53 1.56 -0.01 0.00 -1.09 0.00 0.00 36.82 37.81 2wdr h ILE 49 CO 0.03 0.26 -0.07 1.23 -1.08 0.00 0.00 178.15 178.53 2wdr h GLY 50 N 1.06 0.68 0.72 8.18 0.00 -1.39 -1.77 103.07 110.56 2wdr h GLY 50 Ca -0.00 -0.55 0.05 0.00 0.00 0.00 0.00 47.33 46.82 2wdr h GLY 50 CO 0.03 0.51 0.28 -2.75 0.00 0.00 0.00 176.54 174.61 2wdr h PHE 51 N 0.42 0.52 -0.00 5.60 3.57 -1.28 -2.62 116.94 123.14 2wdr h PHE 51 Ca 0.09 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2wdr h PHE 51 Cb 0.55 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.14 2wdr h PHE 51 CO 0.05 0.26 0.00 1.19 -2.23 0.00 0.00 178.31 177.57 2wdr n PHE 52 N -4.86 0.00 0.04 0.41 3.72 -1.07 -2.93 117.46 112.77 2wdr n PHE 52 Ca 0.05 -0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 2wdr n PHE 52 Cb 0.14 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.60 2wdr n PHE 52 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wdr h ALA 53 N 4.10 0.65 -2.24 4.37 0.00 -0.93 -3.42 119.26 121.79 2wdr h ALA 53 Ca 0.00 -0.82 -0.59 0.00 0.00 0.00 0.00 54.91 53.50 2wdr h ALA 53 Cb 0.14 0.26 0.08 0.00 0.00 0.00 0.00 17.79 18.28 2wdr h ALA 53 CO 0.00 0.89 0.56 0.45 0.00 0.00 0.00 179.25 181.15 2wdr n SER 54 N -2.90 2.54 -0.32 0.00 2.88 -1.15 -4.85 113.62 109.82 2wdr n SER 54 Ca -0.09 1.14 -0.01 0.00 -1.33 0.00 0.00 58.87 58.58 2wdr n SER 54 Cb 0.83 -1.40 0.12 0.00 -0.75 0.00 0.00 64.21 63.02 2wdr n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wdr h ALA 55 N 4.08 1.17 -0.55 -1.46 0.00 -1.92 -0.77 119.26 119.82 2wdr h ALA 55 Ca -0.45 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.46 2wdr h ALA 55 Cb 1.29 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2wdr h ALA 55 CO 0.75 0.40 0.32 0.35 0.00 0.00 0.00 179.25 181.06 2wdr h PHE 56 N 1.09 0.59 -0.38 0.00 3.57 -1.94 -0.87 116.94 118.99 2wdr h PHE 56 Ca 0.36 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.73 2wdr h PHE 56 Cb 0.03 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 2wdr h PHE 56 CO -0.02 0.32 -0.34 1.15 -2.23 0.00 0.00 178.31 177.20 2wdr h THR 57 N 0.62 1.28 0.20 4.41 2.02 -1.67 -1.05 112.91 118.71 2wdr h THR 57 Ca 0.23 -1.51 0.00 0.00 0.77 0.00 0.00 66.41 65.90 2wdr h THR 57 Cb 0.06 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2wdr h THR 57 CO -0.11 0.50 -0.19 0.11 0.37 0.00 0.00 175.52 176.20 2wdr h LYS 58 N 0.72 -0.40 0.13 6.66 1.57 -0.87 -1.81 116.57 122.59 2wdr h LYS 58 Ca 0.07 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2wdr h LYS 58 Cb 0.92 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.33 2wdr h LYS 58 CO 0.09 -0.26 -0.06 0.28 -0.57 0.00 0.00 179.45 178.92 2wdr h VAL 59 N -0.41 1.00 -0.88 0.50 2.07 -1.17 -1.84 116.25 115.52 2wdr h VAL 59 Ca -0.00 -0.61 0.15 0.00 0.82 0.00 0.00 66.70 67.06 2wdr h VAL 59 Cb 0.38 1.38 -0.07 0.00 -1.52 0.00 0.00 31.29 31.46 2wdr h VAL 59 CO -0.04 0.14 0.57 0.15 0.02 0.00 0.00 177.57 178.42 2wdr h PHE 60 N -0.47 0.76 -0.10 1.57 -0.00 -1.24 0.16 116.94 117.62 2wdr h PHE 60 Ca -0.02 0.02 -0.05 0.00 -0.00 0.00 0.00 57.97 57.93 2wdr h PHE 60 Cb 0.37 -0.24 -0.00 0.00 -0.00 0.00 0.00 35.95 36.08 2wdr h PHE 60 CO 0.02 0.27 -0.13 1.15 -0.00 0.00 0.00 178.31 179.62 2wdr h THR 61 N 0.63 1.37 -0.30 4.41 2.02 -1.08 0.09 112.91 120.06 2wdr h THR 61 Ca 0.44 -1.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 2wdr h THR 61 Cb 0.78 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.21 2wdr h THR 61 CO -0.20 0.38 0.15 -0.07 0.37 0.00 0.00 175.52 176.15 2wdr h LEU 62 N -0.17 0.39 -0.88 2.58 3.38 -0.70 0.16 115.31 120.06 2wdr h LEU 62 Ca 0.01 -0.12 0.16 0.00 0.09 0.00 0.00 57.88 58.02 2wdr h LEU 62 Cb 0.67 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 2wdr h LEU 62 CO 0.03 0.40 0.47 0.25 0.09 0.00 0.00 178.44 179.68 2wdr h LEU 63 N 0.35 0.57 -0.98 1.67 5.85 -0.68 0.29 115.31 122.37 2wdr h LEU 63 Ca 0.10 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 2wdr h LEU 63 Cb 0.11 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2wdr h LEU 63 CO -0.01 0.22 -0.11 0.00 -0.34 0.00 0.00 178.44 178.19 2wdr h ALA 64 N 1.59 1.15 -0.29 1.25 0.00 -0.15 -2.16 119.26 120.64 2wdr h ALA 64 Ca 0.49 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 2wdr h ALA 64 Cb 0.73 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2wdr h ALA 64 CO -0.38 0.54 -0.53 -0.07 0.00 0.00 0.00 179.25 178.81 2wdr h LEU 65 N 0.56 0.97 -0.46 0.00 3.38 1.00 -1.79 115.31 118.97 2wdr h LEU 65 Ca 0.10 -0.53 0.02 0.00 0.09 0.00 0.00 57.88 57.57 2wdr h LEU 65 Cb 0.52 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2wdr h LEU 65 CO 0.03 1.32 0.27 -0.26 0.09 0.00 0.00 178.44 179.88 2wdr h PHE 66 N 0.66 0.50 -1.00 1.13 0.04 -1.10 -1.86 116.94 115.31 2wdr h PHE 66 Ca 0.02 0.02 0.11 0.00 2.80 0.00 0.00 57.97 60.92 2wdr h PHE 66 Cb 1.14 -0.16 -0.08 0.00 2.20 0.00 0.00 35.95 39.05 2wdr h PHE 66 CO 0.07 0.28 0.63 0.77 -0.60 0.00 0.00 178.31 179.47 2wdr h SER 67 N 0.53 0.94 0.11 2.17 0.02 -1.01 -0.82 113.55 115.49 2wdr h SER 67 Ca 0.18 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 2wdr h SER 67 Cb 0.02 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.42 2wdr h SER 67 CO -0.09 0.51 -0.05 0.40 -1.14 0.00 0.00 176.83 176.46 2wdr h ILE 68 N 1.02 1.01 -0.84 3.27 2.04 -1.02 0.66 117.51 123.64 2wdr h ILE 68 Ca 0.49 -0.42 0.15 0.00 1.00 0.00 0.00 64.86 66.07 2wdr h ILE 68 Cb 0.44 1.28 -0.15 0.00 -0.74 0.00 0.00 36.82 37.65 2wdr h ILE 68 CO -0.25 0.10 -0.32 0.25 0.00 0.00 0.00 178.15 177.93 2wdr h LEU 69 N -0.34 -1.17 0.47 1.44 5.85 -0.34 1.01 115.31 122.23 2wdr h LEU 69 Ca -0.01 0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 2wdr h LEU 69 Cb 0.28 0.64 0.00 0.00 0.37 0.00 0.00 40.66 41.95 2wdr h LEU 69 CO 0.02 -0.29 -0.23 0.40 -0.34 0.00 0.00 178.44 178.00 2wdr h ILE 70 N -0.05 0.00 -0.27 4.05 2.04 -1.36 -2.73 117.51 119.19 2wdr h ILE 70 Ca 0.33 -0.43 0.06 0.00 1.00 0.00 0.00 64.86 65.83 2wdr h ILE 70 Cb 0.60 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.60 2wdr h ILE 70 CO -0.87 0.00 -0.24 -0.74 0.00 0.00 0.00 178.15 176.29 2wdr h HIS 71 N -1.07 -0.65 -0.44 1.37 2.76 -0.35 -1.71 115.15 115.07 2wdr h HIS 71 Ca -0.06 0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.06 2wdr h HIS 71 Cb 0.49 0.33 -0.02 0.00 1.55 0.00 0.00 27.41 29.75 2wdr h HIS 71 CO 0.01 -0.32 -0.06 0.00 -1.30 0.00 0.00 177.93 176.26 2wdr h ALA 72 N 0.82 1.08 0.39 5.26 0.00 0.90 -0.92 119.26 126.80 2wdr h ALA 72 Ca 0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2wdr h ALA 72 Cb 0.46 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2wdr h ALA 72 CO -0.41 0.57 -0.19 2.35 0.00 0.00 0.00 179.25 181.58 2wdr h TRP 73 N 0.69 -0.48 -0.44 0.00 -0.00 -1.09 0.90 115.95 115.53 2wdr h TRP 73 Ca 0.13 -0.01 0.09 0.00 -0.00 0.00 0.00 58.89 59.10 2wdr h TRP 73 Cb 0.51 0.16 -0.09 0.00 -0.00 0.00 0.00 29.16 29.74 2wdr h TRP 73 CO 0.03 -0.18 -0.20 0.82 -0.00 0.00 0.00 178.44 178.91 2wdr h ILE 74 N -0.75 0.40 0.12 2.65 2.04 -1.24 -1.39 117.51 119.35 2wdr h ILE 74 Ca -0.05 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 2wdr h ILE 74 Cb 0.51 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2wdr h ILE 74 CO 0.09 0.00 -0.09 1.23 0.00 0.00 0.00 178.15 179.38 2wdr h GLY 75 N -0.11 -0.20 1.77 5.37 0.00 -0.99 -2.19 103.07 106.72 2wdr h GLY 75 Ca 0.21 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 2wdr h GLY 75 CO -0.51 -0.09 0.08 -0.33 0.00 0.00 0.00 176.54 175.69 2wdr h MET 76 N -0.21 0.31 -0.53 4.80 2.86 -0.62 -1.79 114.93 119.75 2wdr h MET 76 Ca -0.01 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 2wdr h MET 76 Cb 0.19 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 2wdr h MET 76 CO -0.00 0.27 0.14 2.35 1.06 0.00 0.00 176.91 180.73 2wdr h TRP 77 N 0.31 0.88 -0.64 -0.22 7.01 -0.80 -1.35 115.95 121.14 2wdr h TRP 77 Ca 0.08 -0.10 0.03 0.00 2.11 0.00 0.00 58.89 61.01 2wdr h TRP 77 Cb 0.08 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 26.85 2wdr h TRP 77 CO 0.00 0.77 0.40 1.96 -2.79 0.00 0.00 178.44 178.77 2wdr h GLN 78 N 0.74 0.75 0.08 2.65 4.20 -0.73 -2.18 115.11 120.62 2wdr h GLN 78 Ca 0.17 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 2wdr h GLN 78 Cb 0.32 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2wdr h GLN 78 CO -0.00 0.50 -0.04 0.28 -0.67 0.00 0.00 178.83 178.90 2wdr h VAL 79 N 0.78 0.97 -0.92 -0.54 2.07 -1.05 -2.90 116.25 114.65 2wdr h VAL 79 Ca 0.26 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.66 2wdr h VAL 79 Cb 0.03 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 2wdr h VAL 79 CO -0.11 0.05 0.58 -0.07 0.02 0.00 0.00 177.57 178.04 2wdr h LEU 80 N -0.20 0.92 0.00 2.57 3.38 -1.14 -1.56 115.31 119.28 2wdr h LEU 80 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wdr h LEU 80 Cb 0.16 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2wdr h LEU 80 CO 0.02 0.59 0.00 0.35 0.09 0.00 0.00 178.44 179.48 2wdr n THR 81 N -4.57 0.00 -0.08 0.22 -2.24 -0.83 0.25 114.28 107.03 2wdr n THR 81 Ca 0.14 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.70 2wdr n THR 81 Cb 0.19 -0.51 -0.12 0.00 -2.10 0.00 0.00 70.33 67.78 2wdr n THR 81 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2wdr n ASP 82 N -1.01 2.00 -0.11 3.42 8.00 -0.63 -4.82 116.55 123.40 2wdr n ASP 82 Ca 0.23 0.19 -0.15 0.00 0.71 0.00 0.00 54.79 55.77 2wdr n ASP 82 Cb 0.11 -0.77 -0.11 0.00 -0.02 0.00 0.00 41.12 40.34 2wdr n ASP 82 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2wdr n TYR 83 N -3.77 0.00 -3.03 1.24 4.01 -0.96 -4.84 117.16 109.82 2wdr n TYR 83 Ca -0.39 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 56.90 2wdr n TYR 83 Cb 0.93 -0.87 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 2wdr n TYR 83 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2wdr s VAL 84 N -2.45 4.84 -0.07 -0.72 1.01 0.14 -4.92 120.40 118.22 2wdr s VAL 84 Ca -0.29 -1.37 -0.19 0.00 0.00 0.00 0.00 61.98 60.14 2wdr s VAL 84 Cb 0.08 -4.63 -0.14 0.00 0.00 0.00 0.00 36.38 31.68 2wdr s VAL 84 CO 0.54 -1.31 0.72 0.11 0.00 0.00 0.00 175.10 175.15 2wdr h LYS 85 N 8.88 -0.17 -6.27 2.72 1.79 -1.88 -3.44 116.57 118.20 2wdr h LYS 85 Ca -0.05 0.01 -0.67 0.00 -2.18 0.00 0.00 60.65 57.76 2wdr h LYS 85 Cb 1.05 0.04 0.04 0.00 -1.58 0.00 0.00 32.23 31.78 2wdr h LYS 85 CO 1.06 0.27 0.77 -2.30 -1.08 0.00 0.00 179.45 178.16 2wdr n PRO 86 N -4.87 1.50 -0.03 3.15 -0.02 -1.26 -4.87 135.00 128.59 2wdr n PRO 86 Ca -0.07 0.54 -0.09 0.00 -2.02 0.00 0.00 63.50 61.87 2wdr n PRO 86 Cb 0.25 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 2wdr n PRO 86 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2wdr h LEU 87 N 6.43 -0.18 0.01 2.45 5.85 -2.00 -1.91 115.31 125.97 2wdr h LEU 87 Ca -0.47 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.31 2wdr h LEU 87 Cb 1.31 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 2wdr h LEU 87 CO 0.88 -0.06 -0.07 0.00 -0.34 0.00 0.00 178.44 178.85 2wdr h ALA 88 N 1.18 -0.60 -1.05 1.25 0.00 -1.99 -0.81 119.26 117.24 2wdr h ALA 88 Ca 0.09 -0.01 0.30 0.00 0.00 0.00 0.00 54.91 55.28 2wdr h ALA 88 Cb 0.14 0.52 -0.13 0.00 0.00 0.00 0.00 17.79 18.32 2wdr h ALA 88 CO -0.19 -0.62 0.63 1.25 0.00 0.00 0.00 179.25 180.32 2wdr h LEU 89 N -0.10 0.52 -0.10 0.00 5.85 -1.95 -1.08 115.31 118.47 2wdr h LEU 89 Ca -0.00 0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 2wdr h LEU 89 Cb 0.10 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.20 2wdr h LEU 89 CO -0.04 -0.01 -0.22 -0.09 -0.34 0.00 0.00 178.44 177.74 2wdr h ARG 90 N 0.40 0.32 -0.93 1.25 2.43 -0.65 -1.66 114.38 115.53 2wdr h ARG 90 Ca 0.68 -0.22 0.02 0.00 -0.81 0.00 0.00 59.98 59.66 2wdr h ARG 90 Cb 1.58 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 31.11 2wdr h ARG 90 CO -0.47 0.82 0.61 -0.07 -1.51 0.00 0.00 179.97 179.35 2wdr h LEU 91 N -0.14 1.04 -0.56 3.80 3.38 -0.50 -0.46 115.31 121.87 2wdr h LEU 91 Ca -0.00 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2wdr h LEU 91 Cb 0.82 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2wdr h LEU 91 CO 0.05 0.73 0.36 0.24 0.09 0.00 0.00 178.44 179.90 2wdr h MET 92 N 1.21 0.70 -0.46 1.13 2.86 -1.08 -1.13 114.93 118.16 2wdr h MET 92 Ca 0.36 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.88 2wdr h MET 92 Cb -0.06 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.42 2wdr h MET 92 CO -0.10 0.46 -0.02 -0.07 1.06 0.00 0.00 176.91 178.24 2wdr h LEU 93 N 0.72 0.75 -0.84 1.22 3.38 -0.64 -2.39 115.31 117.51 2wdr h LEU 93 Ca 0.21 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2wdr h LEU 93 Cb -0.05 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2wdr h LEU 93 CO -0.06 0.83 -0.04 1.56 0.09 0.00 0.00 178.44 180.81 2wdr h GLN 94 N 0.72 0.82 0.26 1.13 4.20 -0.76 -0.91 115.11 120.58 2wdr h GLN 94 Ca 0.14 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 2wdr h GLN 94 Cb 0.47 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2wdr h GLN 94 CO 0.02 0.85 -0.20 1.25 -0.67 0.00 0.00 178.83 180.08 2wdr h LEU 95 N 0.76 -0.52 0.28 1.46 5.85 -0.74 0.57 115.31 122.96 2wdr h LEU 95 Ca 0.14 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 2wdr h LEU 95 Cb 0.52 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 2wdr h LEU 95 CO 0.03 -0.31 -0.42 0.58 -0.34 0.00 0.00 178.44 177.98 2wdr h VAL 96 N -0.47 0.00 -0.96 1.05 2.07 -1.33 -0.28 116.25 116.33 2wdr h VAL 96 Ca -0.02 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.78 2wdr h VAL 96 Cb 0.42 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.05 2wdr h VAL 96 CO -0.01 0.00 0.47 0.40 0.02 0.00 0.00 177.57 178.45 2wdr h ILE 97 N -0.73 0.37 0.14 4.57 2.04 -0.99 0.24 117.51 123.16 2wdr h ILE 97 Ca -0.03 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2wdr h ILE 97 Cb 0.67 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2wdr h ILE 97 CO -0.13 0.07 -0.07 0.58 0.00 0.00 0.00 178.15 178.60 2wdr h VAL 98 N 0.36 0.93 -0.89 1.67 2.07 -0.53 -1.60 116.25 118.25 2wdr h VAL 98 Ca 0.65 -1.17 0.17 0.00 0.82 0.00 0.00 66.70 67.16 2wdr h VAL 98 Cb 1.37 1.55 -0.10 0.00 -1.52 0.00 0.00 31.29 32.59 2wdr h VAL 98 CO -0.58 0.24 0.47 0.58 0.02 0.00 0.00 177.57 178.30 2wdr h VAL 99 N -0.83 0.68 -0.02 2.57 2.07 -0.32 0.16 116.25 120.56 2wdr h VAL 99 Ca -0.02 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.31 2wdr h VAL 99 Cb 0.54 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 2wdr h VAL 99 CO 0.03 0.11 -0.12 0.00 0.02 0.00 0.00 177.57 177.62 2wdr h ALA 100 N 1.60 -0.12 -0.91 1.67 0.00 -0.53 0.12 119.26 121.09 2wdr h ALA 100 Ca 0.51 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.44 2wdr h ALA 100 Cb 0.77 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2wdr h ALA 100 CO -0.39 -0.60 0.61 -0.07 0.00 0.00 0.00 179.25 178.79 2wdr h LEU 101 N -0.19 1.04 -0.44 0.00 3.38 0.00 -1.25 115.31 117.86 2wdr h LEU 101 Ca 0.05 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.83 2wdr h LEU 101 Cb 0.25 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2wdr h LEU 101 CO -0.13 0.75 -0.44 0.58 0.09 0.00 0.00 178.44 179.29 2wdr h VAL 102 N 1.23 1.28 0.08 1.22 2.07 -0.37 -2.89 116.25 118.86 2wdr h VAL 102 Ca 0.34 -1.62 0.02 0.00 0.82 0.00 0.00 66.70 66.26 2wdr h VAL 102 Cb -0.12 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 2wdr h VAL 102 CO -0.08 0.53 -0.22 0.58 0.02 0.00 0.00 177.57 178.40 2wdr h VAL 103 N 0.66 0.50 -0.91 2.57 2.07 -0.23 -1.18 116.25 119.74 2wdr h VAL 103 Ca 0.04 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.72 2wdr h VAL 103 Cb 1.01 0.50 -0.16 0.00 -1.52 0.00 0.00 31.29 31.13 2wdr h VAL 103 CO 0.10 0.00 -0.30 -1.22 0.02 0.00 0.00 177.57 176.17 2wdr n TYR 104 N -5.34 0.15 -0.07 1.57 4.02 -0.52 0.11 117.16 117.07 2wdr n TYR 104 Ca -0.06 1.12 -0.15 0.00 -0.01 0.00 0.00 57.90 58.80 2wdr n TYR 104 Cb 0.26 -0.92 -0.04 0.00 -0.02 0.00 0.00 39.34 38.63 2wdr n TYR 104 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2wdr h VAL 105 N 0.00 1.28 -0.19 -0.72 2.07 -1.25 -1.66 116.25 115.77 2wdr h VAL 105 Ca 0.37 -1.75 -0.11 0.00 0.82 0.00 0.00 66.70 66.03 2wdr h VAL 105 Cb 0.59 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 2wdr h VAL 105 CO -0.92 0.57 -0.31 0.40 0.02 0.00 0.00 177.57 177.34 2wdr h ILE 106 N 0.65 1.34 -0.20 4.57 2.04 -0.11 -2.16 117.51 123.64 2wdr h ILE 106 Ca 0.01 -1.52 -0.03 0.00 1.00 0.00 0.00 64.86 64.32 2wdr h ILE 106 Cb 1.17 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 2wdr h ILE 106 CO 0.12 0.47 -0.01 0.22 0.00 0.00 0.00 178.15 178.95 2wdr h TYR 107 N 0.21 0.29 -0.46 1.37 3.20 0.79 -1.32 116.97 121.05 2wdr h TYR 107 Ca 0.02 -0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.73 2wdr h TYR 107 Cb 0.89 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 2wdr h TYR 107 CO 0.09 0.32 -0.25 0.78 -1.64 0.00 0.00 178.16 177.45 2wdr h GLY 108 N 0.59 1.06 1.71 1.82 0.00 -1.25 -0.93 103.07 106.08 2wdr h GLY 108 Ca 0.07 -0.97 0.03 0.00 0.00 0.00 0.00 47.33 46.46 2wdr h GLY 108 CO 0.01 0.88 0.13 0.74 0.00 0.00 0.00 176.54 178.29 2wdr h PHE 109 N 0.83 0.13 0.18 5.60 -1.00 -0.60 -1.28 116.94 120.80 2wdr h PHE 109 Ca 0.10 0.00 -0.30 0.00 2.81 0.00 0.00 57.97 60.59 2wdr h PHE 109 Cb 0.83 -0.04 0.02 0.00 3.61 0.00 0.00 35.95 40.36 2wdr h PHE 109 CO 0.05 0.08 -1.41 0.28 -1.61 0.00 0.00 178.31 175.70 2wdr h VAL 110 N 0.13 1.16 0.46 -0.55 2.07 -1.01 -3.11 116.25 115.41 2wdr h VAL 110 Ca 0.08 -2.54 -0.02 0.00 0.82 0.00 0.00 66.70 65.04 2wdr h VAL 110 Cb 0.16 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 2wdr h VAL 110 CO -0.01 0.78 -0.22 0.58 0.02 0.00 0.00 177.57 178.72 2wdr h VAL 111 N -0.08 0.53 0.14 2.57 2.07 -0.92 -3.24 116.25 117.31 2wdr h VAL 111 Ca -0.27 -0.24 -0.28 0.00 0.82 0.00 0.00 66.70 66.72 2wdr h VAL 111 Cb 1.94 0.64 0.01 0.00 -1.52 0.00 0.00 31.29 32.36 2wdr h VAL 111 CO 0.17 0.04 -1.26 -0.37 0.02 0.00 0.00 177.57 176.17 2wdr h VAL 112 N -0.77 1.47 -0.63 2.57 -1.51 -1.43 -3.21 116.25 112.75 2wdr h VAL 112 Ca -0.06 -2.98 0.12 0.00 -1.23 0.00 0.00 66.70 62.55 2wdr h VAL 112 Cb 0.54 2.93 -0.04 0.00 -2.13 0.00 0.00 31.29 32.60 2wdr h VAL 112 CO 0.10 0.87 0.43 -0.50 -1.23 0.00 0.00 177.57 177.25 2wdr h TRP 113 N 0.09 0.36 -1.57 5.19 -0.00 -1.68 -2.73 115.95 115.61 2wdr h TRP 113 Ca -0.15 0.01 -0.67 0.00 -0.00 0.00 0.00 58.89 58.08 2wdr h TRP 113 Cb 1.98 -0.12 -0.24 0.00 -0.00 0.00 0.00 29.16 30.78 2wdr h TRP 113 CO 0.07 0.16 0.85 0.41 -0.00 0.00 0.00 178.44 179.93 2wdr n GLY 114 N -1.54 5.22 0.00 1.49 0.00 -1.21 -5.10 105.19 104.04 2wdr n GLY 114 Ca 0.11 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.88 2wdr n GLY 114 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70