#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 0.24 1.13 4.83 0.00 -2.05 -2.82 103.07 104.40 2wdr h GLY 12 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 2wdr h GLY 12 CO 0.00 0.20 -0.09 -2.08 0.00 0.00 0.00 176.54 174.57 2wdr h VAL 13 N 0.19 1.27 0.27 4.60 2.07 -2.05 -1.18 116.25 121.41 2wdr h VAL 13 Ca 0.02 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.30 2wdr h VAL 13 Cb 0.80 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 2wdr h VAL 13 CO 0.06 0.44 -0.30 -0.74 0.02 0.00 0.00 177.57 177.05 2wdr h HIS 14 N 0.91 -0.81 -0.48 1.57 6.17 -1.96 -1.88 115.15 118.69 2wdr h HIS 14 Ca 0.15 0.01 0.07 0.00 0.71 0.00 0.00 60.37 61.30 2wdr h HIS 14 Cb 0.65 0.32 -0.06 0.00 2.52 0.00 0.00 27.41 30.84 2wdr h HIS 14 CO 0.04 -0.43 0.13 -0.44 0.71 0.00 0.00 177.93 177.95 2wdr h ASP 15 N -0.62 0.08 -0.53 3.26 5.19 -1.41 0.57 116.42 122.97 2wdr h ASP 15 Ca -0.01 0.07 0.08 0.00 -0.62 0.00 0.00 57.03 56.56 2wdr h ASP 15 Cb 0.57 0.08 -0.07 0.00 0.18 0.00 0.00 39.33 40.10 2wdr h ASP 15 CO -0.08 0.08 0.16 0.15 -3.12 0.00 0.00 179.24 176.43 2wdr h PHE 16 N 0.28 0.27 -0.06 4.55 3.57 -0.99 -1.02 116.94 123.54 2wdr h PHE 16 Ca 0.23 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 2wdr h PHE 16 Cb 0.28 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 2wdr h PHE 16 CO -0.19 0.05 -0.08 0.82 -2.23 0.00 0.00 178.31 176.68 2wdr h ILE 17 N 0.31 1.39 -0.44 1.41 2.04 -0.68 -3.07 117.51 118.47 2wdr h ILE 17 Ca 0.27 -1.30 0.04 0.00 1.00 0.00 0.00 64.86 64.87 2wdr h ILE 17 Cb 0.33 2.11 -0.04 0.00 -0.74 0.00 0.00 36.82 38.48 2wdr h ILE 17 CO -0.30 0.36 0.20 -0.07 0.00 0.00 0.00 178.15 178.34 2wdr h LEU 18 N -0.30 0.28 -0.29 1.44 3.38 -0.61 0.28 115.31 119.50 2wdr h LEU 18 Ca 0.01 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.06 2wdr h LEU 18 Cb 0.62 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 2wdr h LEU 18 CO 0.02 0.20 0.02 0.58 0.09 0.00 0.00 178.44 179.35 2wdr h VAL 19 N 0.41 0.82 0.00 1.22 2.07 -1.27 -1.43 116.25 118.06 2wdr h VAL 19 Ca 0.20 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.59 2wdr h VAL 19 Cb 0.13 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2wdr h VAL 19 CO -0.16 0.02 -0.40 0.03 0.02 0.00 0.00 177.57 177.08 2wdr h ARG 20 N 0.11 0.00 -0.02 1.57 3.08 -1.35 -1.76 114.38 116.01 2wdr h ARG 20 Ca 0.14 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2wdr h ARG 20 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 2wdr h ARG 20 CO -0.21 0.40 -0.03 0.00 -1.07 0.00 0.00 179.97 179.06 2wdr h ALA 21 N 1.60 0.04 -0.13 0.04 0.00 -0.60 -2.77 119.26 117.44 2wdr h ALA 21 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2wdr h ALA 21 Cb 0.84 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2wdr h ALA 21 CO 0.05 -0.18 -0.06 1.79 0.00 0.00 0.00 179.25 180.85 2wdr h THR 22 N -0.43 1.12 -0.85 0.00 1.35 -1.19 -1.98 112.91 110.93 2wdr h THR 22 Ca 0.00 -0.52 -0.02 0.00 -0.55 0.00 0.00 66.41 65.33 2wdr h THR 22 Cb 0.55 1.10 -0.04 0.00 -1.73 0.00 0.00 68.15 68.03 2wdr h THR 22 CO 0.01 0.17 0.47 0.00 -0.25 0.00 0.00 175.52 175.91 2wdr h ALA 23 N 1.76 1.09 -0.49 6.62 0.00 -1.24 -0.22 119.26 126.77 2wdr h ALA 23 Ca 0.04 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 2wdr h ALA 23 Cb 0.23 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2wdr h ALA 23 CO 0.01 0.60 -0.19 0.82 0.00 0.00 0.00 179.25 180.49 2wdr h ILE 24 N 1.19 1.27 0.18 0.00 2.04 -1.08 0.10 117.51 121.21 2wdr h ILE 24 Ca 0.30 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 2wdr h ILE 24 Cb 0.03 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2wdr h ILE 24 CO -0.05 0.47 -0.09 0.58 0.00 0.00 0.00 178.15 179.06 2wdr h VAL 25 N 0.86 0.87 -0.07 1.67 2.07 -1.16 -2.31 116.25 118.19 2wdr h VAL 25 Ca 0.12 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2wdr h VAL 25 Cb 0.77 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2wdr h VAL 25 CO 0.06 0.06 -0.10 -0.07 0.02 0.00 0.00 177.57 177.54 2wdr h LEU 26 N -0.36 0.09 -0.94 2.57 3.38 -0.98 -0.63 115.31 118.44 2wdr h LEU 26 Ca -0.03 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2wdr h LEU 26 Cb 0.28 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2wdr h LEU 26 CO 0.04 0.20 -0.37 0.74 0.09 0.00 0.00 178.44 179.14 2wdr h THR 27 N 0.09 1.30 -0.13 0.22 2.02 -0.83 -0.72 112.91 114.87 2wdr h THR 27 Ca 0.02 -1.45 -0.20 0.00 0.77 0.00 0.00 66.41 65.55 2wdr h THR 27 Cb 0.24 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 2wdr h THR 27 CO 0.01 0.44 -0.72 -0.07 0.37 0.00 0.00 175.52 175.55 2wdr h LEU 28 N 0.26 0.70 -0.35 2.58 3.38 -0.66 -2.32 115.31 118.89 2wdr h LEU 28 Ca 0.03 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 2wdr h LEU 28 Cb 0.78 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2wdr h LEU 28 CO 0.06 1.21 0.14 0.22 0.09 0.00 0.00 178.44 180.16 2wdr h TYR 29 N 0.41 0.54 -0.65 1.13 3.20 -0.86 -1.65 116.97 119.09 2wdr h TYR 29 Ca -0.03 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.77 2wdr h TYR 29 Cb 1.32 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.40 2wdr h TYR 29 CO 0.06 0.50 0.31 0.82 -1.64 0.00 0.00 178.16 178.21 2wdr h ILE 30 N 0.43 1.22 -0.48 1.81 2.04 -1.14 1.00 117.51 122.38 2wdr h ILE 30 Ca 0.12 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.37 2wdr h ILE 30 Cb 0.19 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2wdr h ILE 30 CO -0.01 0.26 0.29 0.40 0.00 0.00 0.00 178.15 179.09 2wdr h ILE 31 N 0.90 1.05 -0.51 -0.67 2.04 -1.31 0.15 117.51 119.16 2wdr h ILE 31 Ca 0.22 -0.20 -0.08 0.00 1.00 0.00 0.00 64.86 65.81 2wdr h ILE 31 Cb 0.12 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2wdr h ILE 31 CO -0.03 0.11 -0.01 0.22 0.00 0.00 0.00 178.15 178.44 2wdr h TYR 32 N 0.58 0.92 -0.03 1.37 3.20 -0.76 0.15 116.97 122.39 2wdr h TYR 32 Ca 0.19 -0.14 -0.26 0.00 3.14 0.00 0.00 58.73 61.67 2wdr h TYR 32 Cb 0.02 -0.25 0.02 0.00 1.54 0.00 0.00 36.73 38.06 2wdr h TYR 32 CO -0.07 0.84 -0.99 0.52 -1.64 0.00 0.00 178.16 176.82 2wdr h MET 33 N 0.79 0.71 -0.08 1.82 2.86 -0.51 -2.49 114.93 118.04 2wdr h MET 33 Ca 0.15 -0.73 -0.10 0.00 -2.06 0.00 0.00 59.70 56.97 2wdr h MET 33 Cb 0.49 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 2wdr h MET 33 CO 0.02 1.31 -0.39 0.28 1.06 0.00 0.00 176.91 179.19 2wdr h VAL 34 N 0.42 1.30 0.02 -2.22 2.07 -0.66 -2.57 116.25 114.61 2wdr h VAL 34 Ca -0.11 -1.43 0.02 0.00 0.82 0.00 0.00 66.70 66.00 2wdr h VAL 34 Cb 1.64 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 33.05 2wdr h VAL 34 CO 0.20 0.42 -0.19 1.23 0.02 0.00 0.00 177.57 179.24 2wdr h GLY 35 N 1.19 -0.29 0.53 2.17 0.00 -0.56 -0.61 103.07 105.51 2wdr h GLY 35 Ca 0.01 0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 2wdr h GLY 35 CO 0.06 -0.18 -0.40 -2.75 0.00 0.00 0.00 176.54 173.27 2wdr h PHE 36 N -0.33 -1.09 -0.44 5.60 3.57 -1.27 -2.97 116.94 120.00 2wdr h PHE 36 Ca 0.05 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.64 2wdr h PHE 36 Cb 0.39 0.43 -0.07 0.00 2.79 0.00 0.00 35.95 39.49 2wdr h PHE 36 CO -0.23 -0.54 0.03 0.74 -2.23 0.00 0.00 178.31 176.08 2wdr h PHE 37 N -0.78 0.03 0.00 0.41 0.04 -1.34 -1.90 116.94 113.39 2wdr h PHE 37 Ca -0.02 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.78 2wdr h PHE 37 Cb 0.71 0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.92 2wdr h PHE 37 CO -0.25 -0.06 0.00 0.00 -0.60 0.00 0.00 178.31 177.40 2wdr h ALA 38 N 1.38 1.00 -2.05 2.45 0.00 -1.02 -3.31 119.26 117.71 2wdr h ALA 38 Ca 0.22 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.57 2wdr h ALA 38 Cb 0.31 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.71 2wdr h ALA 38 CO -0.34 0.00 -1.09 0.25 0.00 0.00 0.00 179.25 178.07 2wdr n THR 39 N -2.36 -0.78 0.00 0.00 -2.24 -0.72 -4.86 114.28 103.31 2wdr n THR 39 Ca 0.00 -3.90 0.00 0.00 -2.27 0.00 0.00 64.05 57.88 2wdr n THR 39 Cb 0.15 -1.89 0.00 0.00 -2.10 0.00 0.00 70.33 66.49 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 1.65 0.00 0.00 3.42 3.41 -1.21 -4.87 113.62 116.03 2wdr n SER 40 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 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 0.11 2.85 3.52 5.00 0.00 -1.26 -4.70 105.19 110.71 2wdr n GLY 41 Ca 0.00 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 13.18 0.48 -1.78 1.61 -0.58 -1.26 -4.84 120.64 127.45 2wdr n GLU 42 Ca 0.00 0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.33 2wdr n GLU 42 Cb 0.00 -2.37 -0.00 0.00 -0.57 0.00 0.00 31.44 28.50 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 12.79 7.08 -4.79 -4.62 4.77 -1.26 -4.91 117.00 126.06 2wdr n LEU 43 Ca 0.53 -4.26 -0.33 0.00 -0.03 0.00 0.00 56.01 51.91 2wdr n LEU 43 Cb 0.26 -1.61 0.02 0.00 -2.33 0.00 0.00 43.42 39.76 2wdr n LEU 43 CO 0.83 1.28 0.73 0.42 -1.33 0.00 0.00 177.39 179.33 2wdr s THR 44 N 2.56 3.51 0.26 -5.08 -4.23 -1.26 -4.87 115.64 106.52 2wdr s THR 44 Ca 0.49 0.74 0.27 0.00 -1.18 0.00 0.00 61.69 62.01 2wdr s THR 44 Cb 0.14 -3.26 0.27 0.00 1.34 0.00 0.00 72.50 70.99 2wdr s THR 44 CO -0.07 -0.39 1.81 0.22 -0.54 0.00 0.00 174.62 175.65 2wdr h TYR 45 N 0.42 0.00 0.05 3.99 3.20 -1.99 -1.99 116.97 120.65 2wdr h TYR 45 Ca -0.47 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.05 2wdr h TYR 45 Cb 1.24 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.47 2wdr h TYR 45 CO 0.56 0.00 -2.00 -1.91 -1.64 0.00 0.00 178.16 173.17 2wdr n GLU 46 N -2.56 0.70 0.16 1.82 2.13 -1.26 -2.44 120.64 119.19 2wdr n GLU 46 Ca -0.02 0.23 0.05 0.00 0.66 0.00 0.00 57.16 58.08 2wdr n GLU 46 Cb 0.19 -1.70 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 0.75 0.17 6.31 -1.51 -1.81 -2.00 116.25 118.18 2wdr h VAL 47 Ca -0.41 -1.89 -0.01 0.00 -1.23 0.00 0.00 66.70 63.16 2wdr h VAL 47 Cb 2.03 2.24 0.00 0.00 -2.13 0.00 0.00 31.29 33.44 2wdr h VAL 47 CO 0.06 0.40 -0.08 -0.25 -1.23 0.00 0.00 177.57 176.47 2wdr h TRP 48 N 0.00 -0.21 0.00 5.19 2.91 -1.49 -2.91 115.95 119.44 2wdr h TRP 48 Ca -0.00 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.96 2wdr h TRP 48 Cb 1.21 0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.92 2wdr h TRP 48 CO 0.00 0.23 -0.25 0.97 -1.03 0.00 0.00 178.44 178.36 2wdr h ILE 49 N -0.79 0.95 -0.25 2.65 2.10 -1.56 -2.80 117.51 117.82 2wdr h ILE 49 Ca -0.02 -0.93 -0.06 0.00 1.08 0.00 0.00 64.86 64.93 2wdr h ILE 49 Cb 0.52 1.54 -0.01 0.00 -1.09 0.00 0.00 36.82 37.78 2wdr h ILE 49 CO 0.04 0.24 -0.06 1.23 -1.08 0.00 0.00 178.15 178.52 2wdr h GLY 50 N 1.05 0.52 0.54 8.18 0.00 -1.43 -1.79 103.07 110.13 2wdr h GLY 50 Ca -0.00 -0.43 0.07 0.00 0.00 0.00 0.00 47.33 46.97 2wdr h GLY 50 CO 0.03 0.39 0.19 -2.75 0.00 0.00 0.00 176.54 174.40 2wdr h PHE 51 N 0.22 0.33 -0.01 5.60 3.57 -1.35 -2.60 116.94 122.70 2wdr h PHE 51 Ca 0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2wdr h PHE 51 Cb 0.53 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.19 2wdr h PHE 51 CO 0.05 0.11 0.00 1.19 -2.23 0.00 0.00 178.31 177.43 2wdr n PHE 52 N -4.99 0.01 0.02 0.41 3.72 -1.07 -2.77 117.46 112.79 2wdr n PHE 52 Ca 0.05 -0.01 -0.01 0.00 -0.05 0.00 0.00 57.45 57.44 2wdr n PHE 52 Cb 0.20 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.65 2wdr n PHE 52 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wdr n ALA 53 N -0.71 1.89 -1.67 4.37 0.00 -0.69 -4.64 120.51 119.06 2wdr n ALA 53 Ca 0.21 -0.60 -0.45 0.00 0.00 0.00 0.00 53.44 52.60 2wdr n ALA 53 Cb 0.15 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 2wdr n ALA 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wdr n SER 54 N -2.88 2.71 -0.36 0.00 2.88 -1.11 -4.85 113.62 110.00 2wdr n SER 54 Ca -0.11 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 2wdr n SER 54 Cb 0.87 -1.42 0.15 0.00 -0.75 0.00 0.00 64.21 63.06 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 4.13 1.36 -0.59 -1.46 0.00 -1.92 -0.76 119.26 120.03 2wdr h ALA 55 Ca -0.45 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.43 2wdr h ALA 55 Cb 1.28 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2wdr h ALA 55 CO 0.75 0.55 0.37 0.35 0.00 0.00 0.00 179.25 181.27 2wdr h PHE 56 N 1.25 0.70 -0.28 0.00 3.57 -1.94 -1.00 116.94 119.25 2wdr h PHE 56 Ca 0.39 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.78 2wdr h PHE 56 Cb 0.00 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.51 2wdr h PHE 56 CO -0.00 0.42 -0.36 1.15 -2.23 0.00 0.00 178.31 177.30 2wdr h THR 57 N 0.75 1.30 0.13 4.41 2.02 -1.66 -1.22 112.91 118.65 2wdr h THR 57 Ca 0.22 -1.54 0.01 0.00 0.77 0.00 0.00 66.41 65.87 2wdr h THR 57 Cb -0.04 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 2wdr h THR 57 CO -0.07 0.49 -0.15 0.11 0.37 0.00 0.00 175.52 176.28 2wdr h LYS 58 N 0.48 -0.30 0.24 6.66 1.57 -0.91 -1.74 116.57 122.57 2wdr h LYS 58 Ca 0.04 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2wdr h LYS 58 Cb 0.94 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.32 2wdr h LYS 58 CO 0.08 -0.20 -0.11 0.28 -0.57 0.00 0.00 179.45 178.93 2wdr h VAL 59 N -0.31 0.83 -0.92 0.50 2.07 -1.20 -1.76 116.25 115.46 2wdr h VAL 59 Ca 0.01 -0.51 0.18 0.00 0.82 0.00 0.00 66.70 67.20 2wdr h VAL 59 Cb 0.31 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 2wdr h VAL 59 CO -0.05 0.11 0.59 0.15 0.02 0.00 0.00 177.57 178.40 2wdr h PHE 60 N -0.59 0.71 -0.12 1.57 -0.00 -1.26 0.18 116.94 117.44 2wdr h PHE 60 Ca -0.03 0.02 -0.10 0.00 -0.00 0.00 0.00 57.97 57.85 2wdr h PHE 60 Cb 0.43 -0.22 0.00 0.00 -0.00 0.00 0.00 35.95 36.16 2wdr h PHE 60 CO 0.01 0.20 -0.33 1.15 -0.00 0.00 0.00 178.31 179.34 2wdr h THR 61 N 0.55 1.38 -0.37 4.41 2.02 -1.06 -0.16 112.91 119.68 2wdr h THR 61 Ca 0.48 -1.64 -0.05 0.00 0.77 0.00 0.00 66.41 65.98 2wdr h THR 61 Cb 1.00 2.11 -0.01 0.00 -1.74 0.00 0.00 68.15 69.50 2wdr h THR 61 CO -0.22 0.48 0.04 -0.07 0.37 0.00 0.00 175.52 176.12 2wdr h LEU 62 N 0.03 0.60 -0.79 2.58 3.38 -0.47 -0.14 115.31 120.50 2wdr h LEU 62 Ca -0.01 -0.28 0.14 0.00 0.09 0.00 0.00 57.88 57.83 2wdr h LEU 62 Cb 0.95 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.44 2wdr h LEU 62 CO 0.07 0.73 0.36 0.25 0.09 0.00 0.00 178.44 179.94 2wdr h LEU 63 N 0.45 0.39 -1.06 1.67 5.85 -0.65 -0.28 115.31 121.68 2wdr h LEU 63 Ca 0.11 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 2wdr h LEU 63 Cb 0.40 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2wdr h LEU 63 CO 0.01 0.16 0.04 0.00 -0.34 0.00 0.00 178.44 178.30 2wdr h ALA 64 N 1.55 1.23 -0.31 1.25 0.00 -0.34 -2.04 119.26 120.60 2wdr h ALA 64 Ca 0.43 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 2wdr h ALA 64 Cb 0.63 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2wdr h ALA 64 CO -0.38 0.52 -0.46 -0.07 0.00 0.00 0.00 179.25 178.85 2wdr h LEU 65 N 0.67 0.94 -0.34 0.00 3.38 0.61 -1.65 115.31 118.92 2wdr h LEU 65 Ca 0.14 -0.51 0.03 0.00 0.09 0.00 0.00 57.88 57.63 2wdr h LEU 65 Cb 0.36 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2wdr h LEU 65 CO 0.01 1.26 0.14 -0.26 0.09 0.00 0.00 178.44 179.68 2wdr h PHE 66 N 0.64 0.25 -0.92 1.13 0.04 -1.10 -1.43 116.94 115.55 2wdr h PHE 66 Ca 0.03 0.02 0.14 0.00 2.80 0.00 0.00 57.97 60.95 2wdr h PHE 66 Cb 1.06 -0.06 -0.09 0.00 2.20 0.00 0.00 35.95 39.06 2wdr h PHE 66 CO 0.07 0.12 0.54 0.77 -0.60 0.00 0.00 178.31 179.21 2wdr h SER 67 N 0.30 0.73 -0.21 2.17 0.02 -1.00 -0.06 113.55 115.50 2wdr h SER 67 Ca 0.15 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 2wdr h SER 67 Cb 0.09 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2wdr h SER 67 CO -0.13 0.34 0.00 0.40 -1.14 0.00 0.00 176.83 176.31 2wdr h ILE 68 N 0.80 1.25 -0.69 3.27 2.04 -0.86 0.49 117.51 123.81 2wdr h ILE 68 Ca 0.49 -0.86 0.10 0.00 1.00 0.00 0.00 64.86 65.59 2wdr h ILE 68 Cb 0.60 1.41 -0.12 0.00 -0.74 0.00 0.00 36.82 37.97 2wdr h ILE 68 CO -0.32 0.26 -0.42 0.25 0.00 0.00 0.00 178.15 177.93 2wdr h LEU 69 N 0.13 -1.47 0.50 1.44 5.85 0.05 0.73 115.31 122.55 2wdr h LEU 69 Ca 0.06 0.26 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 2wdr h LEU 69 Cb 0.39 0.70 0.00 0.00 0.37 0.00 0.00 40.66 42.12 2wdr h LEU 69 CO 0.01 -0.31 -0.24 0.40 -0.34 0.00 0.00 178.44 177.95 2wdr h ILE 70 N -0.15 0.13 -0.27 4.05 2.04 -1.30 -2.26 117.51 119.75 2wdr h ILE 70 Ca 0.22 -0.51 0.06 0.00 1.00 0.00 0.00 64.86 65.63 2wdr h ILE 70 Cb 0.56 0.19 -0.07 0.00 -0.74 0.00 0.00 36.82 36.76 2wdr h ILE 70 CO -0.76 0.03 -0.17 -0.74 0.00 0.00 0.00 178.15 176.50 2wdr h HIS 71 N -1.13 -0.44 -0.43 1.37 2.76 -0.63 -1.84 115.15 114.81 2wdr h HIS 71 Ca -0.07 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.04 2wdr h HIS 71 Cb 0.56 0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.74 2wdr h HIS 71 CO 0.01 -0.25 -0.12 0.00 -1.30 0.00 0.00 177.93 176.27 2wdr h ALA 72 N 1.02 0.99 0.50 5.26 0.00 0.36 -1.78 119.26 125.60 2wdr h ALA 72 Ca 0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2wdr h ALA 72 Cb 0.37 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2wdr h ALA 72 CO -0.36 0.60 -0.24 2.35 0.00 0.00 0.00 179.25 181.60 2wdr h TRP 73 N 0.70 -0.62 -0.47 0.00 -0.00 -1.02 0.51 115.95 115.04 2wdr h TRP 73 Ca 0.12 -0.01 0.10 0.00 -0.00 0.00 0.00 58.89 59.09 2wdr h TRP 73 Cb 0.60 0.20 -0.10 0.00 -0.00 0.00 0.00 29.16 29.87 2wdr h TRP 73 CO 0.03 -0.32 -0.17 0.82 -0.00 0.00 0.00 178.44 178.80 2wdr h ILE 74 N -0.83 0.43 0.22 2.65 2.04 -1.34 -1.42 117.51 119.26 2wdr h ILE 74 Ca -0.07 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2wdr h ILE 74 Cb 0.58 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2wdr h ILE 74 CO 0.11 0.00 -0.11 1.23 0.00 0.00 0.00 178.15 179.38 2wdr h GLY 75 N -0.07 -0.31 1.83 5.37 0.00 -1.21 -2.43 103.07 106.25 2wdr h GLY 75 Ca 0.23 0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.67 2wdr h GLY 75 CO -0.52 -0.11 0.09 -0.33 0.00 0.00 0.00 176.54 175.66 2wdr h MET 76 N -0.31 0.22 -0.47 4.80 2.86 -0.70 -1.72 114.93 119.61 2wdr h MET 76 Ca -0.03 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2wdr h MET 76 Cb 0.24 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2wdr h MET 76 CO 0.05 0.17 0.17 2.35 1.06 0.00 0.00 176.91 180.71 2wdr h TRP 77 N 0.23 0.72 -0.35 -0.22 7.01 -0.84 -1.05 115.95 121.46 2wdr h TRP 77 Ca 0.06 -0.06 0.01 0.00 2.11 0.00 0.00 58.89 61.01 2wdr h TRP 77 Cb 0.01 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 26.84 2wdr h TRP 77 CO 0.00 0.62 0.20 1.96 -2.79 0.00 0.00 178.44 178.43 2wdr h GLN 78 N 0.61 0.40 0.10 2.65 4.20 -0.86 -1.86 115.11 120.35 2wdr h GLN 78 Ca 0.15 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.85 2wdr h GLN 78 Cb 0.22 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 2wdr h GLN 78 CO -0.01 0.26 -0.15 0.28 -0.67 0.00 0.00 178.83 178.55 2wdr h VAL 79 N 0.41 0.66 -0.87 -0.54 2.07 -1.20 -2.90 116.25 113.88 2wdr h VAL 79 Ca 0.14 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.75 2wdr h VAL 79 Cb 0.00 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 2wdr h VAL 79 CO -0.07 0.00 0.52 -0.07 0.02 0.00 0.00 177.57 177.97 2wdr h LEU 80 N -0.30 0.76 0.00 2.57 3.38 -0.98 -1.73 115.31 119.01 2wdr h LEU 80 Ca 0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2wdr h LEU 80 Cb 0.31 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2wdr h LEU 80 CO -0.07 0.44 0.00 0.35 0.09 0.00 0.00 178.44 179.25 2wdr n THR 81 N -4.69 0.00 -0.10 0.22 -2.24 -0.72 0.06 114.28 106.80 2wdr n THR 81 Ca 0.15 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.70 2wdr n THR 81 Cb 0.28 -0.45 -0.12 0.00 -2.10 0.00 0.00 70.33 67.94 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 -0.93 1.99 -0.12 3.42 8.00 -0.68 -4.83 116.55 123.40 2wdr n ASP 82 Ca 0.19 0.14 -0.16 0.00 0.71 0.00 0.00 54.79 55.67 2wdr n ASP 82 Cb 0.09 -0.69 -0.11 0.00 -0.02 0.00 0.00 41.12 40.39 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 -3.73 0.00 -3.01 1.24 4.01 -1.01 -4.83 117.16 109.83 2wdr n TYR 83 Ca -0.44 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 56.86 2wdr n TYR 83 Cb 0.93 -0.89 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 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 -2.47 4.82 -0.05 -0.72 1.01 0.11 -4.91 120.40 118.19 2wdr s VAL 84 Ca -0.31 -1.42 -0.19 0.00 0.00 0.00 0.00 61.98 60.05 2wdr s VAL 84 Cb 0.08 -4.67 -0.13 0.00 0.00 0.00 0.00 36.38 31.66 2wdr s VAL 84 CO 0.54 -1.36 0.80 0.11 0.00 0.00 0.00 175.10 175.19 2wdr h LYS 85 N 8.85 -0.30 -6.34 2.72 1.79 -1.88 -3.44 116.57 117.96 2wdr h LYS 85 Ca 0.00 0.02 -0.64 0.00 -2.18 0.00 0.00 60.65 57.85 2wdr h LYS 85 Cb 1.04 0.07 0.04 0.00 -1.58 0.00 0.00 32.23 31.81 2wdr h LYS 85 CO 1.06 0.04 0.76 -2.30 -1.08 0.00 0.00 179.45 177.94 2wdr n PRO 86 N -4.99 1.72 -0.13 3.15 -0.02 -1.26 -4.86 135.00 128.61 2wdr n PRO 86 Ca -0.07 0.62 -0.06 0.00 -2.02 0.00 0.00 63.50 61.97 2wdr n PRO 86 Cb 0.24 -2.36 0.02 0.00 -0.02 0.00 0.00 33.50 31.39 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 6.29 0.33 0.26 2.45 5.85 -2.00 -2.28 115.31 126.21 2wdr h LEU 87 Ca -0.47 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 2wdr h LEU 87 Cb 1.29 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 2wdr h LEU 87 CO 0.88 0.24 -0.25 0.00 -0.34 0.00 0.00 178.44 178.96 2wdr h ALA 88 N 1.20 -0.96 -1.01 1.25 0.00 -1.98 -1.33 119.26 116.43 2wdr h ALA 88 Ca 0.17 -0.10 0.24 0.00 0.00 0.00 0.00 54.91 55.22 2wdr h ALA 88 Cb 0.06 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 18.22 2wdr h ALA 88 CO -0.11 -0.97 0.63 1.25 0.00 0.00 0.00 179.25 180.05 2wdr h LEU 89 N -0.50 0.58 -0.09 0.00 5.85 -1.94 -1.55 115.31 117.65 2wdr h LEU 89 Ca -0.03 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 2wdr h LEU 89 Cb 0.43 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2wdr h LEU 89 CO -0.02 0.14 -0.22 -0.09 -0.34 0.00 0.00 178.44 177.91 2wdr h ARG 90 N 0.53 0.30 -1.00 1.25 2.43 -1.07 -1.62 114.38 115.20 2wdr h ARG 90 Ca 0.59 -0.21 0.07 0.00 -0.81 0.00 0.00 59.98 59.63 2wdr h ARG 90 Cb 1.26 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.77 2wdr h ARG 90 CO -0.35 0.82 0.65 -0.07 -1.51 0.00 0.00 179.97 179.50 2wdr h LEU 91 N -0.16 1.02 -0.24 3.80 3.38 -0.67 -0.15 115.31 122.28 2wdr h LEU 91 Ca -0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2wdr h LEU 91 Cb 0.83 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2wdr h LEU 91 CO 0.05 0.63 0.12 0.24 0.09 0.00 0.00 178.44 179.57 2wdr h MET 92 N 1.14 0.34 -0.64 1.13 2.86 -1.11 -1.13 114.93 117.52 2wdr h MET 92 Ca 0.44 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 58.00 2wdr h MET 92 Cb 0.22 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 2wdr h MET 92 CO -0.19 0.33 0.26 -0.07 1.06 0.00 0.00 176.91 178.31 2wdr h LEU 93 N 0.27 0.86 -0.90 1.22 3.38 -0.64 -1.92 115.31 117.57 2wdr h LEU 93 Ca 0.08 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2wdr h LEU 93 Cb 0.10 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2wdr h LEU 93 CO -0.01 0.76 -0.10 1.56 0.09 0.00 0.00 178.44 180.74 2wdr h GLN 94 N 0.92 0.70 0.10 1.13 4.20 -0.76 -0.73 115.11 120.66 2wdr h GLN 94 Ca 0.22 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wdr h GLN 94 Cb 0.17 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2wdr h GLN 94 CO -0.02 0.78 -0.08 1.25 -0.67 0.00 0.00 178.83 180.09 2wdr h LEU 95 N 0.64 -0.20 0.58 1.46 5.85 -0.47 0.46 115.31 123.63 2wdr h LEU 95 Ca 0.11 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 2wdr h LEU 95 Cb 0.54 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 2wdr h LEU 95 CO 0.03 -0.12 -0.50 0.58 -0.34 0.00 0.00 178.44 178.09 2wdr h VAL 96 N -0.18 0.00 -0.98 1.05 2.07 -1.21 -0.47 116.25 116.53 2wdr h VAL 96 Ca -0.00 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.78 2wdr h VAL 96 Cb 0.16 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.80 2wdr h VAL 96 CO -0.01 0.00 0.53 0.40 0.02 0.00 0.00 177.57 178.51 2wdr h ILE 97 N -1.05 0.45 0.14 4.57 2.04 -0.99 0.29 117.51 122.95 2wdr h ILE 97 Ca -0.07 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2wdr h ILE 97 Cb 0.89 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2wdr h ILE 97 CO -0.02 0.08 -0.07 0.58 0.00 0.00 0.00 178.15 178.73 2wdr h VAL 98 N 0.46 0.91 -0.92 1.67 2.07 -0.66 -1.66 116.25 118.11 2wdr h VAL 98 Ca 0.65 -1.21 0.16 0.00 0.82 0.00 0.00 66.70 67.12 2wdr h VAL 98 Cb 1.30 1.54 -0.10 0.00 -1.52 0.00 0.00 31.29 32.51 2wdr h VAL 98 CO -0.53 0.24 0.52 0.58 0.02 0.00 0.00 177.57 178.40 2wdr h VAL 99 N -0.86 0.73 -0.18 2.57 2.07 -0.48 0.21 116.25 120.32 2wdr h VAL 99 Ca -0.02 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.29 2wdr h VAL 99 Cb 0.54 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 2wdr h VAL 99 CO 0.03 0.13 -0.02 0.00 0.02 0.00 0.00 177.57 177.73 2wdr h ALA 100 N 1.59 0.14 -0.79 1.67 0.00 -0.44 0.39 119.26 121.82 2wdr h ALA 100 Ca 0.51 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.44 2wdr h ALA 100 Cb 0.74 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2wdr h ALA 100 CO -0.36 -0.45 0.35 -0.07 0.00 0.00 0.00 179.25 178.71 2wdr h LEU 101 N 0.03 1.06 -0.55 0.00 3.38 0.14 -1.04 115.31 118.34 2wdr h LEU 101 Ca 0.09 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 2wdr h LEU 101 Cb 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2wdr h LEU 101 CO -0.16 0.92 -0.25 0.58 0.09 0.00 0.00 178.44 179.62 2wdr h VAL 102 N 1.14 1.27 0.02 1.22 2.07 -0.45 -2.92 116.25 118.61 2wdr h VAL 102 Ca 0.27 -1.40 0.02 0.00 0.82 0.00 0.00 66.70 66.41 2wdr h VAL 102 Cb 0.16 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 2wdr h VAL 102 CO -0.03 0.48 -0.13 0.58 0.02 0.00 0.00 177.57 178.48 2wdr h VAL 103 N 0.77 0.68 -0.97 2.57 2.07 -0.41 -1.30 116.25 119.66 2wdr h VAL 103 Ca 0.10 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.82 2wdr h VAL 103 Cb 0.81 0.68 -0.18 0.00 -1.52 0.00 0.00 31.29 31.07 2wdr h VAL 103 CO 0.07 0.00 -0.23 1.88 0.02 0.00 0.00 177.57 179.31 2wdr h TYR 104 N -0.24 -0.49 -0.21 1.57 -1.99 -1.08 0.71 116.97 115.24 2wdr h TYR 104 Ca 0.04 0.09 -0.14 0.00 2.00 0.00 0.00 58.73 60.71 2wdr h TYR 104 Cb 0.28 0.37 0.00 0.00 2.00 0.00 0.00 36.73 39.38 2wdr h TYR 104 CO -0.18 -0.42 -0.42 0.28 -0.00 0.00 0.00 178.16 177.42 2wdr h VAL 105 N 0.00 1.32 -0.24 -2.88 2.07 -1.22 -1.63 116.25 113.66 2wdr h VAL 105 Ca 0.47 -1.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.29 2wdr h VAL 105 Cb 0.74 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2wdr h VAL 105 CO -1.00 0.51 -0.08 0.40 0.02 0.00 0.00 177.57 177.43 2wdr h ILE 106 N 0.36 1.29 -0.12 4.57 2.04 -0.43 -1.76 117.51 123.46 2wdr h ILE 106 Ca 0.01 -1.11 -0.03 0.00 1.00 0.00 0.00 64.86 64.73 2wdr h ILE 106 Cb 1.03 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 2wdr h ILE 106 CO 0.09 0.34 -0.06 0.22 0.00 0.00 0.00 178.15 178.74 2wdr h TYR 107 N 0.20 0.18 -0.43 1.37 3.20 0.40 -1.07 116.97 120.83 2wdr h TYR 107 Ca 0.06 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.78 2wdr h TYR 107 Cb 0.55 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 2wdr h TYR 107 CO 0.06 0.25 -0.28 0.78 -1.64 0.00 0.00 178.16 177.33 2wdr h GLY 108 N 0.53 1.03 1.70 1.82 0.00 -1.14 -1.30 103.07 105.71 2wdr h GLY 108 Ca 0.04 -0.98 0.04 0.00 0.00 0.00 0.00 47.33 46.43 2wdr h GLY 108 CO 0.01 0.88 0.12 0.74 0.00 0.00 0.00 176.54 178.30 2wdr h PHE 109 N 0.79 0.07 0.17 5.60 -1.00 -0.32 -0.97 116.94 121.28 2wdr h PHE 109 Ca 0.09 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.58 2wdr h PHE 109 Cb 0.86 -0.02 0.01 0.00 3.61 0.00 0.00 35.95 40.41 2wdr h PHE 109 CO 0.06 0.04 -1.40 0.28 -1.61 0.00 0.00 178.31 175.68 2wdr h VAL 110 N 0.07 1.15 0.37 -0.55 2.07 -1.03 -3.13 116.25 115.21 2wdr h VAL 110 Ca 0.08 -2.52 -0.02 0.00 0.82 0.00 0.00 66.70 65.06 2wdr h VAL 110 Cb 0.23 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 2wdr h VAL 110 CO -0.01 0.77 -0.18 0.58 0.02 0.00 0.00 177.57 178.75 2wdr h VAL 111 N -0.12 0.63 0.12 2.57 2.07 -0.98 -3.23 116.25 117.32 2wdr h VAL 111 Ca -0.27 -0.33 -0.27 0.00 0.82 0.00 0.00 66.70 66.64 2wdr h VAL 111 Cb 1.91 0.80 0.01 0.00 -1.52 0.00 0.00 31.29 32.49 2wdr h VAL 111 CO 0.15 0.06 -1.22 -0.37 0.02 0.00 0.00 177.57 176.22 2wdr h VAL 112 N -0.69 1.47 -0.25 2.57 -1.51 -1.37 -3.21 116.25 113.26 2wdr h VAL 112 Ca -0.05 -2.95 0.05 0.00 -1.23 0.00 0.00 66.70 62.52 2wdr h VAL 112 Cb 0.49 2.88 -0.01 0.00 -2.13 0.00 0.00 31.29 32.51 2wdr h VAL 112 CO 0.08 0.87 0.18 -0.50 -1.23 0.00 0.00 177.57 176.97 2wdr h TRP 113 N 0.10 0.10 -1.52 5.19 -0.00 -1.68 -2.76 115.95 115.37 2wdr h TRP 113 Ca -0.13 0.00 -0.66 0.00 -0.00 0.00 0.00 58.89 58.10 2wdr h TRP 113 Cb 1.93 -0.03 -0.24 0.00 -0.00 0.00 0.00 29.16 30.81 2wdr h TRP 113 CO 0.07 0.06 0.83 0.41 -0.00 0.00 0.00 178.44 179.80 2wdr n GLY 114 N -1.56 5.18 0.00 1.49 0.00 -1.21 -5.10 105.19 103.99 2wdr n GLY 114 Ca 0.03 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.83 2wdr n GLY 114 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70