#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdr s ARG 9 N 0.00 3.86 0.64 3.69 0.52 -1.26 -5.07 118.95 121.32 2wdr s ARG 9 Ca 0.00 1.17 -0.08 0.00 -0.52 0.00 0.00 55.73 56.30 2wdr s ARG 9 Cb 0.00 -2.11 0.01 0.00 0.52 0.00 0.00 34.95 33.37 2wdr s ARG 9 CO 0.00 -0.36 0.98 -1.25 0.02 0.00 0.00 175.30 174.69 2wdr s PRO 10 N -3.58 2.90 -0.02 3.54 0.04 -1.26 -5.12 135.00 131.50 2wdr s PRO 10 Ca 0.63 0.19 -0.05 0.00 0.04 0.00 0.00 61.00 61.81 2wdr s PRO 10 Cb -0.13 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.25 2wdr s PRO 10 CO 0.24 -0.83 0.12 0.14 0.04 0.00 0.00 177.00 176.71 2wdr s VAL 11 N -3.14 0.04 -0.92 -0.36 -7.23 -1.26 -5.09 120.40 102.44 2wdr s VAL 11 Ca 0.56 -0.33 -0.22 0.00 -1.81 0.00 0.00 61.98 60.18 2wdr s VAL 11 Cb -0.11 -0.28 0.08 0.00 0.56 0.00 0.00 36.38 36.63 2wdr s VAL 11 CO 0.48 -0.18 1.27 0.21 -0.31 0.00 0.00 175.10 176.56 2wdr s ASN 12 N -0.59 6.47 -0.09 4.85 2.47 -1.26 -4.68 114.94 122.11 2wdr s ASN 12 Ca -0.07 -1.48 0.13 0.00 0.42 0.00 0.00 52.86 51.87 2wdr s ASN 12 Cb -0.04 -2.49 0.27 0.00 -1.45 0.00 0.00 41.25 37.53 2wdr s ASN 12 CO 0.01 -1.39 1.13 -0.11 -3.72 0.00 0.00 177.10 173.01 2wdr n LEU 13 N 8.03 1.58 -4.56 3.21 7.94 -1.26 -4.99 117.00 126.95 2wdr n LEU 13 Ca 0.22 -2.54 -0.21 0.00 -1.11 0.00 0.00 56.01 52.38 2wdr n LEU 13 Cb 0.50 -0.26 -0.06 0.00 0.53 0.00 0.00 43.42 44.12 2wdr n LEU 13 CO 0.61 0.71 1.32 -0.62 -1.11 0.00 0.00 177.39 178.30 2wdr s ASP 14 N -2.31 4.44 0.58 1.96 -1.08 -1.26 -4.82 116.67 114.17 2wdr s ASP 14 Ca 0.25 -0.16 0.29 0.00 -0.52 0.00 0.00 52.55 52.41 2wdr s ASP 14 Cb 0.25 -2.55 1.47 0.00 -1.46 0.00 0.00 42.92 40.63 2wdr s ASP 14 CO -0.04 -3.35 1.90 -0.07 0.52 0.00 0.00 175.17 174.14 2wdr h LEU 15 N 20.42 0.00 -0.43 -1.34 3.38 -1.97 0.04 115.31 135.40 2wdr h LEU 15 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2wdr h LEU 15 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2wdr h LEU 15 CO 1.10 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.63 2wdr n GLN 16 N -3.84 0.18 -0.63 1.13 6.02 -1.26 -3.15 117.38 115.82 2wdr n GLN 16 Ca 0.10 0.34 0.09 0.00 -0.01 0.00 0.00 57.00 57.51 2wdr n GLN 16 Cb 0.71 -1.80 0.35 0.00 1.02 0.00 0.00 30.24 30.51 2wdr n GLN 16 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2wdr n THR 17 N -2.13 2.06 -4.94 5.09 -2.24 -0.00 -4.95 114.28 107.17 2wdr n THR 17 Ca 0.03 -1.32 -0.28 0.00 -2.27 0.00 0.00 64.05 60.21 2wdr n THR 17 Cb 0.27 0.01 -0.16 0.00 -2.10 0.00 0.00 70.33 68.35 2wdr n THR 17 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2wdr s ILE 18 N -2.13 1.59 0.38 2.28 1.01 -1.19 -5.11 121.20 118.04 2wdr s ILE 18 Ca 0.49 -0.80 -0.24 0.00 0.00 0.00 0.00 60.65 60.10 2wdr s ILE 18 Cb 0.34 -1.36 -0.09 0.00 0.01 0.00 0.00 42.46 41.35 2wdr s ILE 18 CO 0.20 0.45 1.03 -0.13 0.00 0.00 0.00 174.94 176.49 2wdr s ARG 19 N 0.06 4.27 -0.06 2.79 1.81 -1.26 -5.06 118.95 121.50 2wdr s ARG 19 Ca -0.06 1.47 0.01 0.00 -1.72 0.00 0.00 55.73 55.43 2wdr s ARG 19 Cb -0.13 -2.60 0.02 0.00 -0.45 0.00 0.00 34.95 31.79 2wdr s ARG 19 CO 0.03 -0.04 -0.05 -0.06 -0.68 0.00 0.00 175.30 174.50 2wdr s PHE 20 N -1.65 0.90 1.00 -0.53 0.08 -1.26 -5.15 117.98 111.38 2wdr s PHE 20 Ca 0.56 -0.30 -0.13 0.00 0.12 0.00 0.00 56.93 57.19 2wdr s PHE 20 Cb -0.21 -0.80 0.19 0.00 -0.57 0.00 0.00 43.02 41.63 2wdr s PHE 20 CO 0.27 -0.25 1.10 -2.14 -0.10 0.00 0.00 175.22 174.09 2wdr s PRO 21 N 1.12 0.41 0.39 0.24 0.02 -1.26 -4.81 135.00 131.10 2wdr s PRO 21 Ca -0.08 0.45 0.06 0.00 0.02 0.00 0.00 61.00 61.45 2wdr s PRO 21 Cb -0.14 -1.74 0.77 0.00 0.02 0.00 0.00 34.50 33.41 2wdr s PRO 21 CO -0.01 -2.73 2.00 0.97 -0.33 0.00 0.00 177.00 176.90 2wdr h ILE 22 N -1.89 1.14 -0.32 2.83 2.10 -1.99 -1.81 117.51 117.57 2wdr h ILE 22 Ca -0.55 -0.38 -0.07 0.00 1.08 0.00 0.00 64.86 64.94 2wdr h ILE 22 Cb 1.33 0.63 -0.02 0.00 -1.09 0.00 0.00 36.82 37.68 2wdr h ILE 22 CO 0.58 0.16 -0.10 0.71 -1.08 0.00 0.00 178.15 178.41 2wdr h THR 23 N 0.55 1.23 -0.28 2.19 1.35 -1.92 0.39 112.91 116.43 2wdr h THR 23 Ca 0.14 -1.01 -0.14 0.00 -0.55 0.00 0.00 66.41 64.85 2wdr h THR 23 Cb 0.06 1.10 -0.00 0.00 -1.73 0.00 0.00 68.15 67.58 2wdr h THR 23 CO -0.02 0.33 -0.38 0.00 -0.25 0.00 0.00 175.52 175.20 2wdr h ALA 24 N 1.39 0.42 -0.21 6.62 0.00 -1.70 -2.97 119.26 122.82 2wdr h ALA 24 Ca 0.09 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.58 2wdr h ALA 24 Cb 0.48 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2wdr h ALA 24 CO 0.03 0.51 0.06 0.82 0.00 0.00 0.00 179.25 180.67 2wdr h ILE 25 N 0.49 0.93 -0.73 0.00 1.08 -1.09 -2.65 117.51 115.55 2wdr h ILE 25 Ca 0.03 -0.05 0.16 0.00 -0.39 0.00 0.00 64.86 64.61 2wdr h ILE 25 Cb 0.97 0.76 -0.12 0.00 -3.07 0.00 0.00 36.82 35.37 2wdr h ILE 25 CO 0.09 0.03 0.12 0.00 -0.69 0.00 0.00 178.15 177.69 2wdr h ALA 26 N 1.14 0.89 0.06 1.87 0.00 -0.77 -1.75 119.26 120.69 2wdr h ALA 26 Ca 0.09 0.19 -0.27 0.00 0.00 0.00 0.00 54.91 54.92 2wdr h ALA 26 Cb 0.07 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2wdr h ALA 26 CO -0.11 -0.38 -1.41 0.66 0.00 0.00 0.00 179.25 178.02 2wdr h SER 27 N 0.20 0.18 -0.86 0.00 4.64 -1.43 -2.42 113.55 113.86 2wdr h SER 27 Ca 0.41 -0.25 0.09 0.00 -0.47 0.00 0.00 61.79 61.57 2wdr h SER 27 Cb 0.72 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 62.69 2wdr h SER 27 CO -0.56 1.21 0.56 -0.29 -0.87 0.00 0.00 176.83 176.88 2wdr h ILE 28 N 0.03 0.97 -0.42 0.95 6.09 -1.09 0.13 117.51 124.16 2wdr h ILE 28 Ca -0.18 -0.29 -0.14 0.00 -1.37 0.00 0.00 64.86 62.88 2wdr h ILE 28 Cb 1.94 0.05 -0.01 0.00 0.47 0.00 0.00 36.82 39.27 2wdr h ILE 28 CO 0.13 0.15 -0.29 -0.07 -3.07 0.00 0.00 178.15 175.01 2wdr h LEU 29 N 0.85 0.97 -1.22 2.19 3.38 -1.36 -2.19 115.31 117.92 2wdr h LEU 29 Ca 0.40 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2wdr h LEU 29 Cb 0.41 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 2wdr h LEU 29 CO -0.16 1.18 0.54 -0.74 0.09 0.00 0.00 178.44 179.35 2wdr h HIS 30 N 0.78 0.97 -0.12 1.13 2.76 -0.40 0.20 115.15 120.47 2wdr h HIS 30 Ca 0.09 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.24 2wdr h HIS 30 Cb 0.86 -0.32 -0.00 0.00 1.55 0.00 0.00 27.41 29.50 2wdr h HIS 30 CO 0.05 0.55 -0.08 -0.09 -1.30 0.00 0.00 177.93 177.06 2wdr h ARG 31 N 0.99 0.27 -0.30 5.26 2.43 -0.73 -1.97 114.38 120.34 2wdr h ARG 31 Ca 0.34 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2wdr h ARG 31 Cb 0.08 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2wdr h ARG 31 CO -0.11 0.64 0.18 0.28 -1.51 0.00 0.00 179.97 179.45 2wdr h VAL 32 N -0.09 1.11 -0.09 0.20 2.07 -0.81 -2.51 116.25 116.13 2wdr h VAL 32 Ca 0.03 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 2wdr h VAL 32 Cb 0.56 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2wdr h VAL 32 CO 0.02 0.11 -0.10 0.77 0.02 0.00 0.00 177.57 178.40 2wdr h SER 33 N 0.38 0.13 -0.10 0.57 4.64 -0.59 -0.87 113.55 117.71 2wdr h SER 33 Ca 0.11 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 2wdr h SER 33 Cb 0.03 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2wdr h SER 33 CO -0.02 0.25 -0.02 1.23 -0.87 0.00 0.00 176.83 177.40 2wdr h GLY 34 N 0.54 0.20 0.97 -0.77 0.00 -1.06 -1.35 103.07 101.59 2wdr h GLY 34 Ca 0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 2wdr h GLY 34 CO 0.01 0.15 0.22 -2.08 0.00 0.00 0.00 176.54 174.84 2wdr h VAL 35 N -0.13 1.17 -0.43 4.60 2.07 -0.98 -1.63 116.25 120.92 2wdr h VAL 35 Ca 0.03 -0.46 0.06 0.00 0.82 0.00 0.00 66.70 67.15 2wdr h VAL 35 Cb 0.42 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 2wdr h VAL 35 CO 0.01 0.18 0.14 0.40 0.02 0.00 0.00 177.57 178.32 2wdr h ILE 36 N 0.55 0.85 0.00 4.57 2.04 -1.20 -1.06 117.51 123.26 2wdr h ILE 36 Ca 0.15 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 2wdr h ILE 36 Cb 0.09 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2wdr h ILE 36 CO -0.02 0.05 -0.07 0.74 0.00 0.00 0.00 178.15 178.86 2wdr h THR 37 N 0.30 0.89 -0.21 -0.27 2.02 -0.70 -0.76 112.91 114.18 2wdr h THR 37 Ca 0.20 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2wdr h THR 37 Cb 0.20 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2wdr h THR 37 CO -0.22 0.06 0.10 0.15 0.37 0.00 0.00 175.52 175.99 2wdr h PHE 38 N 0.00 0.29 -0.35 3.16 3.57 -0.25 -2.35 116.94 121.01 2wdr h PHE 38 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2wdr h PHE 38 Cb 0.13 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2wdr h PHE 38 CO 0.00 0.29 0.14 0.28 -2.23 0.00 0.00 178.31 176.79 2wdr h VAL 39 N 0.21 1.19 -0.62 1.41 2.07 -1.24 -3.17 116.25 116.10 2wdr h VAL 39 Ca 0.07 -0.58 0.16 0.00 0.82 0.00 0.00 66.70 67.18 2wdr h VAL 39 Cb 0.10 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2wdr h VAL 39 CO -0.01 0.21 0.44 0.00 0.02 0.00 0.00 177.57 178.22 2wdr h ALA 40 N 0.99 2.45 -0.41 1.67 0.00 -0.93 -1.85 119.26 121.18 2wdr h ALA 40 Ca 0.12 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2wdr h ALA 40 Cb 0.19 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2wdr h ALA 40 CO -0.01 -0.62 -0.18 0.28 0.00 0.00 0.00 179.25 178.72 2wdr h VAL 41 N 0.10 1.27 -0.21 0.00 2.07 -1.40 0.53 116.25 118.61 2wdr h VAL 41 Ca 0.30 -1.26 -0.06 0.00 0.82 0.00 0.00 66.70 66.49 2wdr h VAL 41 Cb 1.04 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2wdr h VAL 41 CO -0.03 0.43 -0.11 1.23 0.02 0.00 0.00 177.57 179.11 2wdr h GLY 42 N 0.97 0.47 1.04 2.17 0.00 -1.48 0.46 103.07 106.71 2wdr h GLY 42 Ca 0.10 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 2wdr h GLY 42 CO 0.05 0.39 0.24 -2.22 0.00 0.00 0.00 176.54 175.00 2wdr h ILE 43 N 0.13 1.26 -0.57 2.60 2.04 -1.26 0.93 117.51 122.64 2wdr h ILE 43 Ca 0.04 -0.88 -0.07 0.00 1.00 0.00 0.00 64.86 64.95 2wdr h ILE 43 Cb 0.60 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 2wdr h ILE 43 CO 0.03 0.35 0.06 -0.07 0.00 0.00 0.00 178.15 178.52 2wdr h LEU 44 N 1.06 0.88 -0.20 1.44 3.38 0.12 -2.73 115.31 119.27 2wdr h LEU 44 Ca 0.23 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2wdr h LEU 44 Cb 0.29 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2wdr h LEU 44 CO -0.01 0.91 -0.09 -0.07 0.09 0.00 0.00 178.44 179.27 2wdr h LEU 45 N 0.87 0.43 -1.35 1.67 3.38 -0.37 -1.21 115.31 118.73 2wdr h LEU 45 Ca 0.17 -0.41 0.17 0.00 0.09 0.00 0.00 57.88 57.90 2wdr h LEU 45 Cb 0.42 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 2wdr h LEU 45 CO 0.01 0.74 0.58 -0.25 0.09 0.00 0.00 178.44 179.61 2wdr h TRP 46 N 0.12 0.73 0.08 1.13 7.01 -0.76 0.99 115.95 125.25 2wdr h TRP 46 Ca 0.05 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 2wdr h TRP 46 Cb 0.58 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.41 2wdr h TRP 46 CO 0.06 0.24 -0.04 1.25 -2.79 0.00 0.00 178.44 177.16 2wdr h LEU 47 N 0.59 -0.09 -1.47 0.65 5.85 -1.35 -3.00 115.31 116.49 2wdr h LEU 47 Ca 0.46 -0.52 0.17 0.00 0.84 0.00 0.00 57.88 58.83 2wdr h LEU 47 Cb 0.89 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 2wdr h LEU 47 CO -0.21 0.56 0.56 0.25 -0.34 0.00 0.00 178.44 179.26 2wdr h LEU 48 N -0.83 0.48 -0.20 2.25 5.85 -0.60 -1.27 115.31 120.98 2wdr h LEU 48 Ca -0.01 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2wdr h LEU 48 Cb 0.60 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2wdr h LEU 48 CO 0.02 0.23 -0.04 1.23 -0.34 0.00 0.00 178.44 179.53 2wdr h GLY 49 N 0.49 0.42 0.57 3.75 0.00 -0.88 -3.06 103.07 104.38 2wdr h GLY 49 Ca 0.43 -0.34 0.02 0.00 0.00 0.00 0.00 47.33 47.44 2wdr h GLY 49 CO -0.17 0.31 -0.19 -0.84 0.00 0.00 0.00 176.54 175.66 2wdr h THR 50 N 0.11 0.56 0.00 4.70 2.02 -1.13 -2.84 112.91 116.34 2wdr h THR 50 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.23 2wdr h THR 50 Cb 0.49 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 2wdr h THR 50 CO 0.02 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.37 2wdr n SER 51 N -5.32 0.55 0.00 4.18 3.41 -0.62 -2.52 113.62 113.31 2wdr n SER 51 Ca -0.05 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 2wdr n SER 51 Cb 0.23 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 2wdr n SER 51 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wdr n LEU 52 N 0.22 0.00 0.06 1.04 4.77 -1.08 -4.61 117.00 117.40 2wdr n LEU 52 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 2wdr n LEU 52 Cb 0.14 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.62 2wdr n LEU 52 CO 0.00 0.00 1.01 0.77 -1.33 0.00 0.00 177.39 177.84 2wdr h SER 53 N 0.00 0.37 -5.05 -1.43 4.64 -1.36 -3.46 113.55 107.25 2wdr h SER 53 Ca 0.00 -0.05 0.13 0.00 -0.47 0.00 0.00 61.79 61.40 2wdr h SER 53 Cb 0.06 -0.09 -0.10 0.00 -0.31 0.00 0.00 62.40 61.95 2wdr h SER 53 CO 0.00 0.39 0.44 -0.94 -0.87 0.00 0.00 176.83 175.85 2wdr s SER 54 N -6.79 -0.28 0.41 4.97 1.04 -1.26 -4.99 113.70 106.81 2wdr s SER 54 Ca -0.07 -0.26 0.12 0.00 0.48 0.00 0.00 55.95 56.22 2wdr s SER 54 Cb 0.16 0.49 0.87 0.00 0.10 0.00 0.00 66.02 67.64 2wdr s SER 54 CO 0.74 -0.86 1.94 -0.65 0.98 0.00 0.00 173.24 175.38 2wdr h PRO 55 N 2.00 0.10 -0.06 4.02 0.11 -1.96 -2.45 132.00 133.77 2wdr h PRO 55 Ca -0.24 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 2wdr h PRO 55 Cb 1.24 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2wdr h PRO 55 CO 0.28 0.29 0.01 1.49 -0.21 0.00 0.00 178.00 179.86 2wdr h GLU 56 N 0.10 0.10 -0.96 1.05 4.81 -1.96 -3.01 114.58 114.69 2wdr h GLU 56 Ca 0.02 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.31 2wdr h GLU 56 Cb 0.39 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.69 2wdr h GLU 56 CO 0.03 0.34 0.62 0.78 -0.73 0.00 0.00 179.01 180.05 2wdr h GLY 57 N -0.16 1.47 0.95 1.92 0.00 -1.70 -1.61 103.07 103.94 2wdr h GLY 57 Ca 0.02 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 2wdr h GLY 57 CO 0.00 0.25 0.15 -2.75 0.00 0.00 0.00 176.54 174.20 2wdr h PHE 58 N 1.03 0.40 -0.46 5.60 3.57 -1.42 -0.29 116.94 125.37 2wdr h PHE 58 Ca 0.44 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.95 2wdr h PHE 58 Cb 0.33 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 2wdr h PHE 58 CO -0.00 0.33 0.27 0.93 -2.23 0.00 0.00 178.31 177.62 2wdr h GLU 59 N 0.35 0.54 -0.36 1.11 5.08 -1.34 -1.04 114.58 118.91 2wdr h GLU 59 Ca 0.10 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.53 2wdr h GLU 59 Cb 0.07 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2wdr h GLU 59 CO -0.02 0.35 0.26 0.37 -1.00 0.00 0.00 179.01 178.98 2wdr h GLN 60 N 0.55 0.04 0.09 2.33 4.15 -0.82 0.18 115.11 121.64 2wdr h GLN 60 Ca 0.18 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.60 2wdr h GLN 60 Cb 0.01 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2wdr h GLN 60 CO -0.08 0.03 -0.04 0.00 -1.93 0.00 0.00 178.83 176.80 2wdr h ALA 61 N 1.82 -0.12 0.00 3.38 0.00 -0.18 -2.64 119.26 121.52 2wdr h ALA 61 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wdr h ALA 61 Cb 0.63 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2wdr h ALA 61 CO -0.01 -0.14 0.00 0.66 0.00 0.00 0.00 179.25 179.76 2wdr h SER 62 N -0.99 0.00 0.15 0.00 4.64 -0.97 0.31 113.55 116.68 2wdr h SER 62 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2wdr h SER 62 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2wdr h SER 62 CO 0.02 0.00 -0.07 0.00 -0.87 0.00 0.00 176.83 175.91 2wdr h ALA 63 N 2.03 -0.20 -0.82 5.18 0.00 -0.69 -2.74 119.26 122.02 2wdr h ALA 63 Ca 0.00 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.81 2wdr h ALA 63 Cb 0.12 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 2wdr h ALA 63 CO 0.00 -0.43 0.47 0.82 0.00 0.00 0.00 179.25 180.11 2wdr h ILE 64 N -0.57 0.92 0.00 0.00 2.04 -0.13 0.28 117.51 120.05 2wdr h ILE 64 Ca -0.02 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2wdr h ILE 64 Cb 0.44 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2wdr h ILE 64 CO 0.03 0.15 0.00 0.23 0.00 0.00 0.00 178.15 178.56 2wdr n MET 65 N -4.74 0.09 0.01 2.37 2.81 0.19 -2.36 117.12 115.48 2wdr n MET 65 Ca 0.13 0.43 -0.18 0.00 -1.81 0.00 0.00 57.70 56.27 2wdr n MET 65 Cb 0.26 -1.71 -0.11 0.00 -0.71 0.00 0.00 33.22 30.95 2wdr n MET 65 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2wdr h GLY 66 N 1.44 0.46 -5.72 3.03 0.00 -0.62 -3.41 103.07 98.25 2wdr h GLY 66 Ca 0.00 -0.83 -0.75 0.00 0.00 0.00 0.00 47.33 45.75 2wdr h GLY 66 CO 0.00 0.73 0.01 -1.26 0.00 0.00 0.00 176.54 176.02 2wdr n SER 67 N -4.20 0.00 -0.12 0.19 2.88 -1.00 -4.84 113.62 106.54 2wdr n SER 67 Ca -0.11 1.15 -0.10 0.00 -1.33 0.00 0.00 58.87 58.48 2wdr n SER 67 Cb 0.69 -0.97 -0.02 0.00 -0.75 0.00 0.00 64.21 63.17 2wdr n SER 67 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2wdr h PHE 68 N 2.81 0.63 -0.93 0.66 3.57 -1.89 -1.60 116.94 120.19 2wdr h PHE 68 Ca -0.46 -0.09 0.10 0.00 3.53 0.00 0.00 57.97 61.05 2wdr h PHE 68 Cb 1.42 -0.17 -0.08 0.00 2.79 0.00 0.00 35.95 39.91 2wdr h PHE 68 CO 0.54 0.64 0.57 0.35 -2.23 0.00 0.00 178.31 178.19 2wdr h PHE 69 N 0.43 1.04 -0.16 0.41 3.57 -1.95 -0.20 116.94 120.08 2wdr h PHE 69 Ca 0.11 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2wdr h PHE 69 Cb 0.35 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 2wdr h PHE 69 CO 0.02 0.44 0.04 0.28 -2.23 0.00 0.00 178.31 176.87 2wdr h VAL 70 N 0.95 1.19 -0.76 1.41 2.07 -1.81 -2.70 116.25 116.60 2wdr h VAL 70 Ca 0.44 -0.61 0.11 0.00 0.82 0.00 0.00 66.70 67.47 2wdr h VAL 70 Cb 0.37 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 2wdr h VAL 70 CO -0.24 0.18 0.50 0.11 0.02 0.00 0.00 177.57 178.14 2wdr h LYS 71 N 0.06 0.58 0.32 1.57 1.57 -0.20 0.12 116.57 120.59 2wdr h LYS 71 Ca 0.05 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2wdr h LYS 71 Cb 0.25 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2wdr h LYS 71 CO -0.00 0.38 -0.16 0.35 -0.57 0.00 0.00 179.45 179.46 2wdr h PHE 72 N 0.60 -0.40 -0.46 -1.35 3.57 -0.95 -2.48 116.94 115.47 2wdr h PHE 72 Ca 0.36 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.94 2wdr h PHE 72 Cb 0.58 0.13 -0.08 0.00 2.79 0.00 0.00 35.95 39.38 2wdr h PHE 72 CO -0.00 -0.06 0.01 0.82 -2.23 0.00 0.00 178.31 176.84 2wdr h ILE 73 N -0.83 0.65 -0.76 1.41 2.04 -1.13 -1.22 117.51 117.67 2wdr h ILE 73 Ca -0.04 -0.04 0.14 0.00 1.00 0.00 0.00 64.86 65.92 2wdr h ILE 73 Cb 0.52 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 2wdr h ILE 73 CO 0.07 0.02 0.51 -0.03 0.00 0.00 0.00 178.15 178.72 2wdr h MET 74 N 0.12 0.45 -0.00 2.37 4.05 -0.76 0.29 114.93 121.44 2wdr h MET 74 Ca 0.23 -0.03 -0.26 0.00 -0.28 0.00 0.00 59.70 59.37 2wdr h MET 74 Cb 0.34 -0.10 0.02 0.00 -0.80 0.00 0.00 31.60 31.06 2wdr h MET 74 CO -0.38 0.30 -1.00 2.35 0.23 0.00 0.00 176.91 178.41 2wdr h TRP 75 N 0.46 1.01 0.48 1.39 7.01 -0.77 -1.91 115.95 123.63 2wdr h TRP 75 Ca 0.37 -0.55 -0.02 0.00 2.11 0.00 0.00 58.89 60.80 2wdr h TRP 75 Cb 0.80 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.75 2wdr h TRP 75 CO -0.00 1.38 -0.23 0.78 -2.79 0.00 0.00 178.44 177.58 2wdr h GLY 76 N 0.35 -0.68 -0.46 2.65 0.00 -0.68 0.36 103.07 104.61 2wdr h GLY 76 Ca -0.12 0.25 0.20 0.00 0.00 0.00 0.00 47.33 47.66 2wdr h GLY 76 CO 0.20 -0.25 0.08 -2.22 0.00 0.00 0.00 176.54 174.35 2wdr h ILE 77 N -0.71 0.29 -0.05 2.60 2.04 -1.01 0.44 117.51 121.12 2wdr h ILE 77 Ca -0.07 -0.04 -0.16 0.00 1.00 0.00 0.00 64.86 65.59 2wdr h ILE 77 Cb 0.53 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2wdr h ILE 77 CO 0.11 0.02 -0.68 -0.07 0.00 0.00 0.00 178.15 177.53 2wdr h LEU 78 N 0.13 0.26 -0.16 1.44 3.38 -1.02 -1.91 115.31 117.42 2wdr h LEU 78 Ca 0.48 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.22 2wdr h LEU 78 Cb 0.91 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2wdr h LEU 78 CO -0.70 0.86 -0.15 0.74 0.09 0.00 0.00 178.44 179.29 2wdr h THR 79 N 0.16 1.34 -0.49 0.22 2.02 0.20 0.99 112.91 117.34 2wdr h THR 79 Ca -0.02 -1.29 0.07 0.00 0.77 0.00 0.00 66.41 65.94 2wdr h THR 79 Cb 1.22 1.82 -0.06 0.00 -1.74 0.00 0.00 68.15 69.39 2wdr h THR 79 CO 0.10 0.38 0.18 0.00 0.37 0.00 0.00 175.52 176.56 2wdr h ALA 80 N 0.63 0.61 -0.72 6.16 0.00 -0.25 0.11 119.26 125.79 2wdr h ALA 80 Ca 0.03 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2wdr h ALA 80 Cb 0.67 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2wdr h ALA 80 CO 0.04 -0.21 0.26 1.25 0.00 0.00 0.00 179.25 180.59 2wdr h LEU 81 N 0.36 1.03 0.03 0.00 5.85 -1.27 -1.80 115.31 119.51 2wdr h LEU 81 Ca 0.24 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.77 2wdr h LEU 81 Cb 0.24 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2wdr h LEU 81 CO -0.23 0.94 -0.08 0.00 -0.34 0.00 0.00 178.44 178.73 2wdr h ALA 82 N 1.13 -0.11 0.20 1.25 0.00 -0.07 -2.06 119.26 119.60 2wdr h ALA 82 Ca 0.24 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.16 2wdr h ALA 82 Cb 0.26 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2wdr h ALA 82 CO -0.01 -0.58 -0.37 -0.92 0.00 0.00 0.00 179.25 177.37 2wdr h TYR 83 N -0.15 -1.01 -0.96 0.00 3.20 -0.70 -1.81 116.97 115.54 2wdr h TYR 83 Ca 0.02 0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.09 2wdr h TYR 83 Cb 0.17 0.42 -0.11 0.00 1.54 0.00 0.00 36.73 38.75 2wdr h TYR 83 CO -0.13 -0.49 0.56 1.25 -1.64 0.00 0.00 178.16 177.71 2wdr h HIS 84 N -0.65 0.98 -0.10 -3.82 2.76 -1.20 0.18 115.15 113.31 2wdr h HIS 84 Ca 0.01 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.17 2wdr h HIS 84 Cb 0.64 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 29.32 2wdr h HIS 84 CO -0.29 0.20 -0.13 0.28 -1.30 0.00 0.00 177.93 176.69 2wdr h VAL 85 N 0.70 1.38 0.61 5.26 2.07 -0.93 0.10 116.25 125.45 2wdr h VAL 85 Ca 0.56 -1.35 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 2wdr h VAL 85 Cb 0.87 2.05 0.01 0.00 -1.52 0.00 0.00 31.29 32.69 2wdr h VAL 85 CO -0.39 0.38 -0.30 0.58 0.02 0.00 0.00 177.57 177.87 2wdr h VAL 86 N -0.17 0.30 -0.42 2.57 2.07 -0.63 0.39 116.25 120.36 2wdr h VAL 86 Ca 0.01 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.29 2wdr h VAL 86 Cb 0.68 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2wdr h VAL 86 CO 0.03 0.03 0.28 0.58 0.02 0.00 0.00 177.57 178.51 2wdr h VAL 87 N -1.01 1.08 -0.54 2.57 2.07 -1.08 -0.49 116.25 118.85 2wdr h VAL 87 Ca -0.08 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 2wdr h VAL 87 Cb 0.68 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2wdr h VAL 87 CO 0.14 0.10 0.03 1.23 0.02 0.00 0.00 177.57 179.08 2wdr h GLY 88 N 0.53 0.97 1.55 2.17 0.00 -0.65 -0.70 103.07 106.94 2wdr h GLY 88 Ca 0.16 -0.66 -0.16 0.00 0.00 0.00 0.00 47.33 46.67 2wdr h GLY 88 CO -0.04 0.61 -0.58 -2.22 0.00 0.00 0.00 176.54 174.31 2wdr h ILE 89 N 0.84 1.34 -0.05 2.60 2.04 0.34 -1.62 117.51 123.00 2wdr h ILE 89 Ca 0.16 -1.86 0.02 0.00 1.00 0.00 0.00 64.86 64.18 2wdr h ILE 89 Cb 0.46 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.37 2wdr h ILE 89 CO 0.02 0.57 -0.10 -0.09 0.00 0.00 0.00 178.15 178.55 2wdr h ARG 90 N 0.35 -0.15 -0.16 2.37 2.43 -0.88 -0.21 114.38 118.14 2wdr h ARG 90 Ca 0.00 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 2wdr h ARG 90 Cb 1.11 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.63 2wdr h ARG 90 CO 0.10 -0.10 -0.44 1.25 -1.51 0.00 0.00 179.97 179.27 2wdr h HIS 91 N -0.15 -1.27 0.00 2.20 2.76 -0.97 -1.99 115.15 115.73 2wdr h HIS 91 Ca 0.05 0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 2wdr h HIS 91 Cb 0.23 0.58 -0.00 0.00 1.55 0.00 0.00 27.41 29.77 2wdr h HIS 91 CO -0.19 -0.48 -0.05 0.52 -1.30 0.00 0.00 177.93 176.43 2wdr h MET 92 N -0.49 0.00 -0.08 5.26 2.86 -1.01 -0.79 114.93 120.68 2wdr h MET 92 Ca 0.08 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 2wdr h MET 92 Cb 0.63 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 2wdr h MET 92 CO -0.42 0.05 -0.38 0.52 1.06 0.00 0.00 176.91 177.74 2wdr h MET 93 N 0.00 0.17 -0.10 1.72 2.07 -0.30 -1.50 114.93 117.00 2wdr h MET 93 Ca -0.00 -0.07 -0.05 0.00 -2.07 0.00 0.00 59.70 57.51 2wdr h MET 93 Cb 0.09 -0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 29.82 2wdr h MET 93 CO 0.01 0.53 -0.13 0.52 1.07 0.00 0.00 176.91 178.90 2wdr h MET 94 N 0.15 0.26 -0.10 1.72 2.86 -0.75 0.17 114.93 119.25 2wdr h MET 94 Ca 0.02 -0.15 0.03 0.00 -2.06 0.00 0.00 59.70 57.53 2wdr h MET 94 Cb 0.74 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 2wdr h MET 94 CO 0.06 0.71 0.20 -0.44 1.06 0.00 0.00 176.91 178.50 2wdr h ASP 95 N -0.17 0.00 -0.10 1.22 3.32 -1.04 -0.40 116.42 119.25 2wdr h ASP 95 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2wdr h ASP 95 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 2wdr h ASP 95 CO 0.03 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.04 2wdr n PHE 96 N -3.37 0.11 -0.68 4.55 3.72 -0.60 -4.98 117.46 116.21 2wdr n PHE 96 Ca -0.00 -0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2wdr n PHE 96 Cb 0.29 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 2wdr n PHE 96 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wdr n GLY 97 N 0.85 0.76 0.21 1.37 0.00 -0.16 -4.90 105.19 103.32 2wdr n GLY 97 Ca 0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.26 2wdr n GLY 97 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2wdr h TYR 98 N 0.00 0.00 -4.44 1.61 0.05 -0.92 -3.43 116.97 109.83 2wdr h TYR 98 Ca 0.00 0.00 -0.70 0.00 0.05 0.00 0.00 58.73 58.08 2wdr h TYR 98 Cb 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 36.73 37.46 2wdr h TYR 98 CO 0.00 0.00 -0.86 -0.51 -1.05 0.00 0.00 178.16 175.74 2wdr s LEU 99 N -5.77 2.23 0.40 3.88 1.43 -0.70 -4.94 118.68 115.21 2wdr s LEU 99 Ca 0.06 -0.41 -0.25 0.00 -1.03 0.00 0.00 54.13 52.50 2wdr s LEU 99 Cb 0.08 -1.39 -0.09 0.00 0.03 0.00 0.00 46.19 44.82 2wdr s LEU 99 CO 0.59 0.32 1.11 -1.61 0.23 0.00 0.00 176.35 176.99 2wdr s GLU 100 N -0.70 4.10 -0.29 1.70 2.02 -1.26 -4.56 118.70 119.71 2wdr s GLU 100 Ca 0.11 1.67 0.09 0.00 0.02 0.00 0.00 54.97 56.85 2wdr s GLU 100 Cb -0.10 -2.60 0.68 0.00 0.10 0.00 0.00 34.13 32.21 2wdr s GLU 100 CO -0.00 -0.24 1.70 0.39 0.02 0.00 0.00 175.26 177.13 2wdr n GLU 101 N -0.01 3.55 -1.80 1.61 1.02 -1.26 -4.48 120.64 119.26 2wdr n GLU 101 Ca 0.05 -2.77 -0.30 0.00 -0.02 0.00 0.00 57.16 54.12 2wdr n GLU 101 Cb 0.48 -2.14 0.07 0.00 -0.02 0.00 0.00 31.44 29.83 2wdr n GLU 101 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2wdr s THR 102 N -2.73 3.10 0.04 2.62 -4.23 -1.26 -4.94 115.64 108.24 2wdr s THR 102 Ca 0.50 0.36 -0.20 0.00 -1.18 0.00 0.00 61.69 61.16 2wdr s THR 102 Cb 0.40 -3.29 -0.14 0.00 1.34 0.00 0.00 72.50 70.81 2wdr s THR 102 CO 0.12 -0.47 1.37 0.15 -0.54 0.00 0.00 174.62 175.26 2wdr h PHE 103 N -0.85 0.40 -0.14 3.99 3.57 -1.99 -2.16 116.94 119.75 2wdr h PHE 103 Ca -0.46 -0.11 0.05 0.00 3.53 0.00 0.00 57.97 60.98 2wdr h PHE 103 Cb 1.27 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.86 2wdr h PHE 103 CO 0.45 0.70 -0.31 0.93 -2.23 0.00 0.00 178.31 177.85 2wdr h GLU 104 N -0.02 -0.37 -0.02 1.11 4.39 -1.97 -0.80 114.58 116.91 2wdr h GLU 104 Ca 0.03 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.76 2wdr h GLU 104 Cb 0.61 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2wdr h GLU 104 CO 0.03 -0.25 0.02 0.00 -1.16 0.00 0.00 179.01 177.65 2wdr h ALA 105 N 0.45 1.81 0.15 3.43 0.00 -1.85 -1.05 119.26 122.20 2wdr h ALA 105 Ca 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2wdr h ALA 105 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2wdr h ALA 105 CO -0.35 -0.02 -0.07 0.78 0.00 0.00 0.00 179.25 179.58 2wdr h GLY 106 N 0.00 -0.22 0.46 0.00 0.00 -0.50 -1.93 103.07 100.88 2wdr h GLY 106 Ca 0.01 0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.46 2wdr h GLY 106 CO -0.00 -0.08 -0.18 0.50 0.00 0.00 0.00 176.54 176.78 2wdr h LYS 107 N -0.68 -0.23 -0.28 4.80 1.57 -0.85 0.28 116.57 121.18 2wdr h LYS 107 Ca -0.02 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 2wdr h LYS 107 Cb 0.50 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.80 2wdr h LYS 107 CO 0.03 -0.16 -0.09 -0.09 -0.57 0.00 0.00 179.45 178.58 2wdr h ARG 108 N -0.24 -0.03 -0.07 3.15 2.43 -1.22 -1.42 114.38 116.98 2wdr h ARG 108 Ca 0.08 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.12 2wdr h ARG 108 Cb 0.36 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2wdr h ARG 108 CO -0.23 -0.02 -0.55 0.66 -1.51 0.00 0.00 179.97 178.31 2wdr h SER 109 N -0.03 0.23 -0.46 -3.80 4.64 -1.13 -2.41 113.55 110.59 2wdr h SER 109 Ca 0.14 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2wdr h SER 109 Cb 0.24 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 2wdr h SER 109 CO -0.30 0.74 0.25 0.00 -0.87 0.00 0.00 176.83 176.65 2wdr h ALA 110 N 1.27 1.53 0.00 5.18 0.00 -0.26 -0.63 119.26 126.36 2wdr h ALA 110 Ca -0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2wdr h ALA 110 Cb 1.03 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2wdr h ALA 110 CO 0.08 0.38 -0.00 0.87 0.00 0.00 0.00 179.25 180.59 2wdr h LYS 111 N 0.67 -0.01 -0.24 0.00 1.57 -1.01 -2.72 116.57 114.84 2wdr h LYS 111 Ca 0.17 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.99 2wdr h LYS 111 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2wdr h LYS 111 CO -0.03 0.60 0.17 0.82 -0.57 0.00 0.00 179.45 180.44 2wdr h ILE 112 N -0.62 0.97 -0.17 1.86 2.04 -1.31 0.26 117.51 120.54 2wdr h ILE 112 Ca -0.00 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 2wdr h ILE 112 Cb 0.61 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 2wdr h ILE 112 CO 0.00 0.03 0.09 0.28 0.00 0.00 0.00 178.15 178.55 2wdr h SER 113 N 0.17 0.21 -0.46 1.72 0.02 -1.09 -1.34 113.55 112.78 2wdr h SER 113 Ca 0.11 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2wdr h SER 113 Cb 0.21 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 2wdr h SER 113 CO -0.02 0.24 0.24 -0.26 -1.14 0.00 0.00 176.83 175.89 2wdr h PHE 114 N 0.17 0.64 0.46 3.45 0.04 -0.66 -0.93 116.94 120.11 2wdr h PHE 114 Ca 0.06 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 2wdr h PHE 114 Cb 0.07 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.02 2wdr h PHE 114 CO -0.04 0.50 -0.22 0.28 -0.60 0.00 0.00 178.31 178.23 2wdr h VAL 115 N 0.60 0.55 -0.95 -0.55 2.07 -1.24 0.02 116.25 116.75 2wdr h VAL 115 Ca 0.16 -0.10 0.24 0.00 0.82 0.00 0.00 66.70 67.82 2wdr h VAL 115 Cb 0.08 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 2wdr h VAL 115 CO -0.02 0.02 0.64 0.40 0.02 0.00 0.00 177.57 178.62 2wdr h ILE 116 N -0.67 0.60 -0.03 4.57 2.04 -1.17 -1.34 117.51 121.50 2wdr h ILE 116 Ca -0.06 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 2wdr h ILE 116 Cb 0.50 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2wdr h ILE 116 CO 0.10 0.05 -0.08 0.74 0.00 0.00 0.00 178.15 178.96 2wdr h THR 117 N 0.28 1.45 -1.01 -0.27 2.02 -0.68 -2.41 112.91 112.30 2wdr h THR 117 Ca 0.49 -1.45 0.11 0.00 0.77 0.00 0.00 66.41 66.33 2wdr h THR 117 Cb 1.44 2.33 -0.08 0.00 -1.74 0.00 0.00 68.15 70.10 2wdr h THR 117 CO -0.15 0.39 0.64 0.58 0.37 0.00 0.00 175.52 177.35 2wdr h VAL 118 N -0.43 0.96 -0.48 3.16 2.07 -0.16 0.47 116.25 121.83 2wdr h VAL 118 Ca -0.00 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 2wdr h VAL 118 Cb 0.68 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2wdr h VAL 118 CO 0.02 0.19 0.20 0.58 0.02 0.00 0.00 177.57 178.57 2wdr h VAL 119 N 1.04 1.21 -0.28 2.57 2.07 -1.31 -1.33 116.25 120.22 2wdr h VAL 119 Ca 0.48 -0.64 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 2wdr h VAL 119 Cb 0.42 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2wdr h VAL 119 CO -0.24 0.24 -0.22 -0.07 0.02 0.00 0.00 177.57 177.30 2wdr h LEU 120 N 0.64 0.53 -1.02 2.57 3.38 -0.71 -2.43 115.31 118.27 2wdr h LEU 120 Ca 0.16 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2wdr h LEU 120 Cb 0.19 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2wdr h LEU 120 CO -0.01 0.75 0.22 -1.28 0.09 0.00 0.00 178.44 178.20 2wdr h SER 121 N 0.47 0.85 0.63 -0.43 0.87 0.35 0.10 113.55 116.39 2wdr h SER 121 Ca 0.07 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 2wdr h SER 121 Cb 0.64 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2wdr h SER 121 CO 0.05 0.78 -0.30 -0.07 -0.53 0.00 0.00 176.83 176.75 2wdr h LEU 122 N 0.90 -0.72 -1.28 2.23 3.38 -1.16 -2.21 115.31 116.46 2wdr h LEU 122 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2wdr h LEU 122 Cb 0.22 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2wdr h LEU 122 CO -0.01 -0.35 0.43 -0.07 0.09 0.00 0.00 178.44 178.53 2wdr h LEU 123 N -1.15 0.00 0.01 1.67 3.38 -1.25 0.46 115.31 118.43 2wdr h LEU 123 Ca -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2wdr h LEU 123 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2wdr h LEU 123 CO 0.14 0.00 -0.06 0.00 0.09 0.00 0.00 178.44 178.61 2wdr h ALA 124 N 1.05 -0.00 -0.85 1.53 0.00 -0.66 -2.94 119.26 117.39 2wdr h ALA 124 Ca 0.00 -0.49 0.05 0.00 0.00 0.00 0.00 54.91 54.47 2wdr h ALA 124 Cb 0.86 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 2wdr h ALA 124 CO 0.00 0.01 0.53 0.78 0.00 0.00 0.00 179.25 180.57 2wdr h GLY 125 N -0.90 1.26 1.94 0.00 0.00 0.45 -0.52 103.07 105.31 2wdr h GLY 125 Ca -0.01 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 2wdr h GLY 125 CO 0.01 0.28 0.02 -2.08 0.00 0.00 0.00 176.54 174.77 2wdr h VAL 126 N 0.99 1.03 0.00 4.60 2.07 -1.18 0.15 116.25 123.91 2wdr h VAL 126 Ca 0.36 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.77 2wdr h VAL 126 Cb 0.13 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2wdr h VAL 126 CO -0.16 0.04 0.00 0.25 0.02 0.00 0.00 177.57 177.72 2wdr h LEU 127 N 0.09 0.00 0.00 2.57 6.46 -0.92 -3.33 115.31 120.18 2wdr h LEU 127 Ca 0.02 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 2wdr h LEU 127 Cb 0.04 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 2wdr h LEU 127 CO -0.00 0.00 -0.60 0.52 -0.62 0.00 0.00 178.44 177.74 2wdr n VAL 128 N -2.75 0.00 1.97 1.05 0.31 -0.47 -5.10 118.33 113.34 2wdr n VAL 128 Ca 0.04 -0.28 0.16 0.00 -0.01 0.00 0.00 64.34 64.25 2wdr n VAL 128 Cb 0.44 0.87 0.93 0.00 -0.91 0.00 0.00 33.84 35.16 2wdr n VAL 128 CO 0.00 0.00 0.00 1.87 -1.32 0.00 0.00 176.83 177.38