#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 3.98 0.71 3.69 0.52 -1.26 -5.07 118.95 121.52 2wdr s ARG 9 Ca 0.00 1.18 -0.10 0.00 -0.52 0.00 0.00 55.73 56.29 2wdr s ARG 9 Cb 0.00 -2.13 0.03 0.00 0.52 0.00 0.00 34.95 33.37 2wdr s ARG 9 CO 0.00 -0.25 1.07 -1.25 0.02 0.00 0.00 175.30 174.88 2wdr s PRO 10 N -3.40 2.59 -0.02 3.54 0.04 -1.26 -5.11 135.00 131.38 2wdr s PRO 10 Ca 0.63 0.21 -0.05 0.00 0.04 0.00 0.00 61.00 61.83 2wdr s PRO 10 Cb -0.12 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.35 2wdr s PRO 10 CO 0.20 -1.12 0.12 0.14 0.04 0.00 0.00 177.00 176.38 2wdr s VAL 11 N -3.32 0.04 -0.94 -0.36 -7.23 -1.26 -5.09 120.40 102.24 2wdr s VAL 11 Ca 0.58 -0.34 -0.22 0.00 -1.81 0.00 0.00 61.98 60.20 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 0.49 -0.19 1.28 0.21 -0.31 0.00 0.00 175.10 176.58 2wdr s ASN 12 N -0.61 6.51 -0.08 4.85 2.47 -1.26 -4.68 114.94 122.14 2wdr s ASN 12 Ca -0.07 -1.59 0.13 0.00 0.42 0.00 0.00 52.86 51.75 2wdr s ASN 12 Cb -0.04 -2.49 0.24 0.00 -1.45 0.00 0.00 41.25 37.51 2wdr s ASN 12 CO 0.01 -1.35 1.12 -0.11 -3.72 0.00 0.00 177.10 173.04 2wdr n LEU 13 N 7.93 1.49 -4.56 3.21 7.94 -1.26 -4.99 117.00 126.75 2wdr n LEU 13 Ca 0.25 -2.42 -0.19 0.00 -1.11 0.00 0.00 56.01 52.54 2wdr n LEU 13 Cb 0.50 -0.25 -0.06 0.00 0.53 0.00 0.00 43.42 44.13 2wdr n LEU 13 CO 0.60 0.66 1.26 -0.62 -1.11 0.00 0.00 177.39 178.18 2wdr s ASP 14 N -2.23 4.35 0.59 1.96 -1.08 -1.26 -4.82 116.67 114.17 2wdr s ASP 14 Ca 0.23 -0.30 0.29 0.00 -0.52 0.00 0.00 52.55 52.26 2wdr s ASP 14 Cb 0.22 -2.56 1.42 0.00 -1.46 0.00 0.00 42.92 40.55 2wdr s ASP 14 CO -0.03 -3.48 1.83 -0.07 0.52 0.00 0.00 175.17 173.94 2wdr h LEU 15 N 20.73 0.00 -0.13 -1.34 3.38 -1.98 0.83 115.31 136.81 2wdr h LEU 15 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2wdr h LEU 15 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2wdr h LEU 15 CO 1.09 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.62 2wdr n GLN 16 N -3.71 0.07 -0.62 1.13 6.02 -1.26 -3.12 117.38 115.89 2wdr n GLN 16 Ca 0.11 0.21 0.08 0.00 -0.01 0.00 0.00 57.00 57.39 2wdr n GLN 16 Cb 0.81 -1.60 0.33 0.00 1.02 0.00 0.00 30.24 30.80 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 -1.73 2.15 -5.02 5.09 -2.24 0.29 -4.95 114.28 107.86 2wdr n THR 17 Ca 0.04 -1.41 -0.29 0.00 -2.27 0.00 0.00 64.05 60.12 2wdr n THR 17 Cb 0.26 -0.05 -0.16 0.00 -2.10 0.00 0.00 70.33 68.27 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 -2.28 1.73 0.37 2.28 1.01 -1.18 -5.11 121.20 118.02 2wdr s ILE 18 Ca 0.48 -0.86 -0.26 0.00 0.00 0.00 0.00 60.65 60.01 2wdr s ILE 18 Cb 0.34 -1.49 -0.09 0.00 0.01 0.00 0.00 42.46 41.23 2wdr s ILE 18 CO 0.17 0.49 1.09 -0.13 0.00 0.00 0.00 174.94 176.56 2wdr s ARG 19 N 0.16 4.26 -0.05 2.79 1.81 -1.26 -5.06 118.95 121.59 2wdr s ARG 19 Ca -0.09 1.65 0.02 0.00 -1.72 0.00 0.00 55.73 55.59 2wdr s ARG 19 Cb -0.15 -2.73 0.01 0.00 -0.45 0.00 0.00 34.95 31.64 2wdr s ARG 19 CO 0.05 -0.09 -0.10 -0.06 -0.68 0.00 0.00 175.30 174.42 2wdr s PHE 20 N -1.48 1.20 0.99 -0.53 0.08 -1.26 -5.15 117.98 111.83 2wdr s PHE 20 Ca 0.54 -0.41 -0.13 0.00 0.12 0.00 0.00 56.93 57.05 2wdr s PHE 20 Cb -0.26 -0.91 0.18 0.00 -0.57 0.00 0.00 43.02 41.46 2wdr s PHE 20 CO 0.33 -0.23 1.12 -2.14 -0.10 0.00 0.00 175.22 174.21 2wdr s PRO 21 N 0.68 0.50 0.36 0.24 0.02 -1.26 -4.82 135.00 130.72 2wdr s PRO 21 Ca -0.13 0.29 0.06 0.00 0.02 0.00 0.00 61.00 61.24 2wdr s PRO 21 Cb -0.15 -1.76 0.70 0.00 0.02 0.00 0.00 34.50 33.31 2wdr s PRO 21 CO 0.02 -2.63 1.94 0.97 -0.33 0.00 0.00 177.00 176.97 2wdr h ILE 22 N -1.81 1.16 -0.20 2.83 2.10 -1.99 -1.36 117.51 118.24 2wdr h ILE 22 Ca -0.51 -0.57 -0.04 0.00 1.08 0.00 0.00 64.86 64.81 2wdr h ILE 22 Cb 1.32 0.80 -0.01 0.00 -1.09 0.00 0.00 36.82 37.84 2wdr h ILE 22 CO 0.56 0.21 -0.05 0.71 -1.08 0.00 0.00 178.15 178.50 2wdr h THR 23 N 0.51 1.16 0.01 2.19 1.35 -1.92 0.08 112.91 116.29 2wdr h THR 23 Ca 0.12 -0.64 -0.26 0.00 -0.55 0.00 0.00 66.41 65.08 2wdr h THR 23 Cb 0.19 1.06 0.02 0.00 -1.73 0.00 0.00 68.15 67.69 2wdr h THR 23 CO -0.00 0.21 -1.03 0.00 -0.25 0.00 0.00 175.52 174.44 2wdr h ALA 24 N 1.67 0.17 -0.20 6.62 0.00 -1.62 -2.96 119.26 122.93 2wdr h ALA 24 Ca 0.06 -0.70 0.03 0.00 0.00 0.00 0.00 54.91 54.30 2wdr h ALA 24 Cb 0.28 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2wdr h ALA 24 CO 0.01 0.72 0.02 0.82 0.00 0.00 0.00 179.25 180.81 2wdr h ILE 25 N 0.36 0.88 -0.68 0.00 1.08 -1.00 -2.63 117.51 115.51 2wdr h ILE 25 Ca -0.12 -0.03 0.15 0.00 -0.39 0.00 0.00 64.86 64.46 2wdr h ILE 25 Cb 1.68 0.78 -0.11 0.00 -3.07 0.00 0.00 36.82 36.11 2wdr h ILE 25 CO 0.20 0.02 0.09 0.00 -0.69 0.00 0.00 178.15 177.77 2wdr h ALA 26 N 1.16 0.79 0.04 1.87 0.00 -0.83 -1.67 119.26 120.62 2wdr h ALA 26 Ca 0.09 0.18 -0.26 0.00 0.00 0.00 0.00 54.91 54.92 2wdr h ALA 26 Cb 0.11 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2wdr h ALA 26 CO -0.15 -0.37 -1.37 0.66 0.00 0.00 0.00 179.25 178.03 2wdr h SER 27 N 0.19 0.14 -0.65 0.00 4.64 -1.44 -2.33 113.55 114.09 2wdr h SER 27 Ca 0.37 -0.19 0.09 0.00 -0.47 0.00 0.00 61.79 61.59 2wdr h SER 27 Cb 0.62 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.63 2wdr h SER 27 CO -0.52 1.16 0.43 -0.29 -0.87 0.00 0.00 176.83 176.74 2wdr h ILE 28 N 0.02 0.94 -0.22 0.95 6.09 -1.03 0.90 117.51 125.16 2wdr h ILE 28 Ca -0.16 -0.19 -0.16 0.00 -1.37 0.00 0.00 64.86 62.98 2wdr h ILE 28 Cb 1.92 0.34 0.00 0.00 0.47 0.00 0.00 36.82 39.56 2wdr h ILE 28 CO 0.13 0.10 -0.49 -0.07 -3.07 0.00 0.00 178.15 174.74 2wdr h LEU 29 N 0.55 0.82 -0.97 2.19 3.38 -1.32 -2.03 115.31 117.93 2wdr h LEU 29 Ca 0.30 -0.56 0.12 0.00 0.09 0.00 0.00 57.88 57.83 2wdr h LEU 29 Cb 0.44 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.87 2wdr h LEU 29 CO -0.09 1.23 0.59 -0.74 0.09 0.00 0.00 178.44 179.52 2wdr h HIS 30 N 0.45 1.07 0.02 1.13 2.76 -0.50 0.31 115.15 120.39 2wdr h HIS 30 Ca 0.00 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2wdr h HIS 30 Cb 1.10 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.73 2wdr h HIS 30 CO 0.09 0.41 -0.01 -0.09 -1.30 0.00 0.00 177.93 177.03 2wdr h ARG 31 N 0.93 -0.02 -0.13 5.26 2.43 -0.78 -2.14 114.38 119.93 2wdr h ARG 31 Ca 0.48 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.66 2wdr h ARG 31 Cb 0.49 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2wdr h ARG 31 CO -0.27 0.25 0.05 0.28 -1.51 0.00 0.00 179.97 178.77 2wdr h VAL 32 N -0.29 0.97 -0.69 0.20 2.07 -0.66 -1.98 116.25 115.87 2wdr h VAL 32 Ca -0.00 -0.04 0.10 0.00 0.82 0.00 0.00 66.70 67.58 2wdr h VAL 32 Cb 0.28 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 2wdr h VAL 32 CO 0.00 0.02 0.46 0.77 0.02 0.00 0.00 177.57 178.84 2wdr h SER 33 N 0.12 0.50 0.11 0.57 4.64 -0.42 -0.55 113.55 118.51 2wdr h SER 33 Ca 0.06 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 2wdr h SER 33 Cb 0.03 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2wdr h SER 33 CO -0.06 0.30 -0.05 1.23 -0.87 0.00 0.00 176.83 177.38 2wdr h GLY 34 N 0.55 -0.15 0.95 -0.77 0.00 -0.83 -1.29 103.07 101.53 2wdr h GLY 34 Ca 0.32 0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.72 2wdr h GLY 34 CO -0.11 -0.05 0.28 -2.08 0.00 0.00 0.00 176.54 174.57 2wdr h VAL 35 N -0.45 1.08 -0.61 4.60 2.07 -0.75 -1.63 116.25 120.55 2wdr h VAL 35 Ca -0.01 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.38 2wdr h VAL 35 Cb 0.37 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 2wdr h VAL 35 CO 0.02 0.10 0.31 0.40 0.02 0.00 0.00 177.57 178.42 2wdr h ILE 36 N 0.56 0.92 -0.16 4.57 2.04 -1.11 -1.75 117.51 122.57 2wdr h ILE 36 Ca 0.17 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2wdr h ILE 36 Cb -0.03 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 2wdr h ILE 36 CO -0.06 0.10 0.02 0.74 0.00 0.00 0.00 178.15 178.96 2wdr h THR 37 N 0.57 1.10 -0.26 -0.27 2.02 -0.58 -0.60 112.91 114.89 2wdr h THR 37 Ca 0.28 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2wdr h THR 37 Cb 0.22 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 2wdr h THR 37 CO -0.21 0.12 0.17 0.15 0.37 0.00 0.00 175.52 176.12 2wdr h PHE 38 N 0.23 0.32 -0.24 3.16 3.57 -0.40 -2.10 116.94 121.48 2wdr h PHE 38 Ca 0.06 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 2wdr h PHE 38 Cb 0.13 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 2wdr h PHE 38 CO 0.00 0.20 0.10 0.28 -2.23 0.00 0.00 178.31 176.66 2wdr h VAL 39 N 0.34 1.16 -0.57 1.41 2.07 -1.30 -3.19 116.25 116.17 2wdr h VAL 39 Ca 0.10 -0.48 0.16 0.00 0.82 0.00 0.00 66.70 67.30 2wdr h VAL 39 Cb -0.03 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 2wdr h VAL 39 CO -0.03 0.16 0.41 0.00 0.02 0.00 0.00 177.57 178.14 2wdr h ALA 40 N 0.95 2.52 -0.42 1.67 0.00 -0.81 -2.00 119.26 121.18 2wdr h ALA 40 Ca 0.08 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2wdr h ALA 40 Cb 0.16 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2wdr h ALA 40 CO -0.01 -0.68 -0.20 0.28 0.00 0.00 0.00 179.25 178.64 2wdr h VAL 41 N 0.02 1.27 -0.29 0.00 2.07 -1.37 0.53 116.25 118.48 2wdr h VAL 41 Ca 0.27 -1.32 -0.06 0.00 0.82 0.00 0.00 66.70 66.41 2wdr h VAL 41 Cb 1.07 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 2wdr h VAL 41 CO -0.01 0.45 -0.06 1.23 0.02 0.00 0.00 177.57 179.20 2wdr h GLY 42 N 0.95 0.59 0.97 2.17 0.00 -1.50 -0.09 103.07 106.16 2wdr h GLY 42 Ca 0.10 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 2wdr h GLY 42 CO 0.06 0.44 0.24 -2.22 0.00 0.00 0.00 176.54 175.05 2wdr h ILE 43 N 0.31 1.20 -0.36 2.60 2.04 -1.31 0.15 117.51 122.14 2wdr h ILE 43 Ca 0.07 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 2wdr h ILE 43 Cb 0.53 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 2wdr h ILE 43 CO 0.03 0.22 -0.01 -0.07 0.00 0.00 0.00 178.15 178.32 2wdr h LEU 44 N 0.68 0.53 -0.14 1.44 3.38 0.10 -2.46 115.31 118.84 2wdr h LEU 44 Ca 0.17 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 2wdr h LEU 44 Cb 0.13 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2wdr h LEU 44 CO -0.02 0.61 -0.21 -0.07 0.09 0.00 0.00 178.44 178.84 2wdr h LEU 45 N 0.54 0.43 -1.19 1.67 3.38 -0.49 -1.38 115.31 118.27 2wdr h LEU 45 Ca 0.11 -0.52 0.17 0.00 0.09 0.00 0.00 57.88 57.73 2wdr h LEU 45 Cb 0.36 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 2wdr h LEU 45 CO 0.01 0.87 0.60 -0.25 0.09 0.00 0.00 178.44 179.76 2wdr h TRP 46 N 0.00 0.91 0.06 1.13 7.01 -0.56 0.14 115.95 124.64 2wdr h TRP 46 Ca 0.01 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 2wdr h TRP 46 Cb 0.78 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.55 2wdr h TRP 46 CO 0.09 0.28 -0.03 1.25 -2.79 0.00 0.00 178.44 177.24 2wdr h LEU 47 N 0.72 -0.07 -1.38 0.65 5.85 -1.38 -3.02 115.31 116.67 2wdr h LEU 47 Ca 0.51 -0.53 0.12 0.00 0.84 0.00 0.00 57.88 58.82 2wdr h LEU 47 Cb 0.83 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.82 2wdr h LEU 47 CO -0.27 0.54 0.53 0.25 -0.34 0.00 0.00 178.44 179.15 2wdr h LEU 48 N -0.73 0.60 -0.24 2.25 5.85 -0.59 -1.55 115.31 120.89 2wdr h LEU 48 Ca -0.01 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 2wdr h LEU 48 Cb 0.60 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2wdr h LEU 48 CO 0.01 0.33 0.04 1.23 -0.34 0.00 0.00 178.44 179.71 2wdr h GLY 49 N 0.65 0.42 0.54 3.75 0.00 -0.81 -3.08 103.07 104.54 2wdr h GLY 49 Ca 0.39 -0.28 0.03 0.00 0.00 0.00 0.00 47.33 47.46 2wdr h GLY 49 CO -0.16 0.26 -0.21 -0.84 0.00 0.00 0.00 176.54 175.60 2wdr h THR 50 N 0.19 0.51 0.00 4.70 2.02 -1.25 -2.85 112.91 116.23 2wdr h THR 50 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.25 2wdr h THR 50 Cb 0.33 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2wdr h THR 50 CO 0.01 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.36 2wdr n SER 51 N -5.34 0.76 0.00 4.18 3.41 -0.65 -2.56 113.62 113.42 2wdr n SER 51 Ca -0.05 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 2wdr n SER 51 Cb 0.25 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 0.33 0.00 0.06 1.04 4.77 -1.09 -4.64 117.00 117.47 2wdr n LEU 52 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 2wdr n LEU 52 Cb 0.16 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.72 2wdr n LEU 52 CO 0.00 0.00 1.12 0.77 -1.33 0.00 0.00 177.39 177.95 2wdr h SER 53 N 0.00 0.36 -5.05 -1.43 4.64 -1.35 -3.46 113.55 107.26 2wdr h SER 53 Ca 0.00 -0.01 0.15 0.00 -0.47 0.00 0.00 61.79 61.45 2wdr h SER 53 Cb 0.05 -0.09 -0.11 0.00 -0.31 0.00 0.00 62.40 61.94 2wdr h SER 53 CO 0.00 0.28 0.48 -0.94 -0.87 0.00 0.00 176.83 175.78 2wdr s SER 54 N -6.78 -0.26 0.41 4.97 1.04 -1.26 -4.99 113.70 106.83 2wdr s SER 54 Ca -0.07 -0.23 0.12 0.00 0.48 0.00 0.00 55.95 56.24 2wdr s SER 54 Cb 0.17 0.45 0.86 0.00 0.10 0.00 0.00 66.02 67.60 2wdr s SER 54 CO 0.72 -0.79 1.93 -0.65 0.98 0.00 0.00 173.24 175.43 2wdr h PRO 55 N 2.00 0.09 -0.11 4.02 0.11 -1.96 -2.30 132.00 133.85 2wdr h PRO 55 Ca -0.24 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 2wdr h PRO 55 Cb 1.24 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 2wdr h PRO 55 CO 0.28 0.29 -0.01 1.49 -0.21 0.00 0.00 178.00 179.84 2wdr h GLU 56 N 0.09 0.20 -0.85 1.05 4.81 -1.96 -3.00 114.58 114.92 2wdr h GLU 56 Ca 0.02 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.23 2wdr h GLU 56 Cb 0.41 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 2wdr h GLU 56 CO 0.03 0.47 0.56 0.78 -0.73 0.00 0.00 179.01 180.11 2wdr h GLY 57 N -0.09 1.21 0.94 1.92 0.00 -1.68 -1.36 103.07 104.01 2wdr h GLY 57 Ca 0.03 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 2wdr h GLY 57 CO 0.01 0.31 0.16 -2.75 0.00 0.00 0.00 176.54 174.27 2wdr h PHE 58 N 0.99 0.51 -0.42 5.60 3.57 -1.40 0.06 116.94 125.85 2wdr h PHE 58 Ca 0.35 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.83 2wdr h PHE 58 Cb 0.14 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 2wdr h PHE 58 CO -0.00 0.45 0.28 0.93 -2.23 0.00 0.00 178.31 177.74 2wdr h GLU 59 N 0.42 0.56 -0.40 1.11 5.08 -1.33 -0.88 114.58 119.14 2wdr h GLU 59 Ca 0.12 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.56 2wdr h GLU 59 Cb 0.14 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2wdr h GLU 59 CO -0.01 0.37 0.29 0.37 -1.00 0.00 0.00 179.01 179.03 2wdr h GLN 60 N 0.57 0.01 0.02 2.33 4.15 -0.70 0.88 115.11 122.38 2wdr h GLN 60 Ca 0.15 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 2wdr h GLN 60 Cb -0.07 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.62 2wdr h GLN 60 CO -0.03 0.00 -0.01 0.00 -1.93 0.00 0.00 178.83 176.86 2wdr h ALA 61 N 1.80 -0.03 0.00 3.38 0.00 0.09 -2.76 119.26 121.74 2wdr h ALA 61 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wdr h ALA 61 Cb 0.76 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2wdr h ALA 61 CO -0.00 -0.04 0.00 0.66 0.00 0.00 0.00 179.25 179.86 2wdr h SER 62 N -0.98 0.00 0.13 0.00 4.64 -1.00 0.11 113.55 116.44 2wdr h SER 62 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2wdr h SER 62 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2wdr h SER 62 CO 0.01 0.00 -0.06 0.00 -0.87 0.00 0.00 176.83 175.90 2wdr h ALA 63 N 2.06 -0.17 -0.70 5.18 0.00 -0.85 -2.78 119.26 122.00 2wdr h ALA 63 Ca 0.00 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.80 2wdr h ALA 63 Cb 0.15 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 2wdr h ALA 63 CO 0.00 -0.38 0.33 0.82 0.00 0.00 0.00 179.25 180.02 2wdr h ILE 64 N -0.60 0.81 0.00 0.00 2.04 -0.58 0.52 117.51 119.70 2wdr h ILE 64 Ca -0.02 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2wdr h ILE 64 Cb 0.47 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2wdr h ILE 64 CO 0.03 0.10 0.00 0.23 0.00 0.00 0.00 178.15 178.51 2wdr n MET 65 N -4.90 0.07 0.01 2.37 2.81 0.08 -2.23 117.12 115.33 2wdr n MET 65 Ca 0.11 0.42 -0.18 0.00 -1.81 0.00 0.00 57.70 56.24 2wdr n MET 65 Cb 0.29 -1.66 -0.11 0.00 -0.71 0.00 0.00 33.22 31.03 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 1.33 0.49 -5.40 3.03 0.00 -0.59 -3.41 103.07 98.51 2wdr h GLY 66 Ca 0.00 -0.87 -0.71 0.00 0.00 0.00 0.00 47.33 45.75 2wdr h GLY 66 CO 0.00 0.77 -0.02 -1.26 0.00 0.00 0.00 176.54 176.04 2wdr n SER 67 N -4.17 0.16 -0.12 0.19 2.88 -0.95 -4.84 113.62 106.77 2wdr n SER 67 Ca -0.11 1.14 -0.11 0.00 -1.33 0.00 0.00 58.87 58.47 2wdr n SER 67 Cb 0.71 -1.03 -0.02 0.00 -0.75 0.00 0.00 64.21 63.11 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 2.64 0.74 -0.91 0.66 3.57 -1.89 -1.96 116.94 119.79 2wdr h PHE 68 Ca -0.42 -0.15 0.09 0.00 3.53 0.00 0.00 57.97 61.03 2wdr h PHE 68 Cb 1.40 -0.19 -0.07 0.00 2.79 0.00 0.00 35.95 39.88 2wdr h PHE 68 CO 0.52 0.80 0.55 0.35 -2.23 0.00 0.00 178.31 178.30 2wdr h PHE 69 N 0.47 1.00 -0.19 0.41 3.57 -1.95 -0.01 116.94 120.24 2wdr h PHE 69 Ca 0.10 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 2wdr h PHE 69 Cb 0.53 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2wdr h PHE 69 CO 0.04 0.43 0.05 0.28 -2.23 0.00 0.00 178.31 176.89 2wdr h VAL 70 N 0.92 1.20 -0.88 1.41 2.07 -1.82 -2.72 116.25 116.43 2wdr h VAL 70 Ca 0.43 -0.63 0.10 0.00 0.82 0.00 0.00 66.70 67.42 2wdr h VAL 70 Cb 0.35 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 2wdr h VAL 70 CO -0.23 0.20 0.57 0.11 0.02 0.00 0.00 177.57 178.23 2wdr h LYS 71 N 0.13 0.82 0.74 1.57 1.57 -0.39 0.13 116.57 121.13 2wdr h LYS 71 Ca 0.06 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2wdr h LYS 71 Cb 0.26 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.39 2wdr h LYS 71 CO -0.00 0.54 -0.35 0.35 -0.57 0.00 0.00 179.45 179.41 2wdr h PHE 72 N 0.84 -0.92 -0.70 -1.35 3.57 -0.94 -1.70 116.94 115.74 2wdr h PHE 72 Ca 0.41 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 62.04 2wdr h PHE 72 Cb 0.45 0.30 -0.11 0.00 2.79 0.00 0.00 35.95 39.39 2wdr h PHE 72 CO -0.00 -0.55 0.09 0.82 -2.23 0.00 0.00 178.31 176.43 2wdr h ILE 73 N -1.20 0.47 -0.63 1.41 2.04 -1.17 -0.78 117.51 117.65 2wdr h ILE 73 Ca -0.10 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.72 2wdr h ILE 73 Cb 0.78 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 2wdr h ILE 73 CO 0.17 0.03 0.42 -0.03 0.00 0.00 0.00 178.15 178.74 2wdr h MET 74 N 0.18 0.75 -0.23 2.37 4.05 -0.64 0.11 114.93 121.52 2wdr h MET 74 Ca 0.39 -0.04 -0.16 0.00 -0.28 0.00 0.00 59.70 59.60 2wdr h MET 74 Cb 0.66 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.29 2wdr h MET 74 CO -0.55 0.49 -0.48 2.35 0.23 0.00 0.00 176.91 178.95 2wdr h TRP 75 N 0.77 0.93 0.43 1.39 7.01 -0.22 -2.06 115.95 124.20 2wdr h TRP 75 Ca 0.25 -0.34 -0.02 0.00 2.11 0.00 0.00 58.89 60.89 2wdr h TRP 75 Cb 0.03 -0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 26.92 2wdr h TRP 75 CO -0.00 1.14 -0.25 0.78 -2.79 0.00 0.00 178.44 177.32 2wdr h GLY 76 N 0.46 -0.67 -0.09 2.65 0.00 -0.58 0.32 103.07 105.16 2wdr h GLY 76 Ca 0.01 0.27 0.20 0.00 0.00 0.00 0.00 47.33 47.81 2wdr h GLY 76 CO 0.11 -0.25 0.40 -2.22 0.00 0.00 0.00 176.54 174.58 2wdr h ILE 77 N -0.64 0.54 -0.03 2.60 2.04 -1.04 0.56 117.51 121.55 2wdr h ILE 77 Ca -0.05 -0.15 -0.19 0.00 1.00 0.00 0.00 64.86 65.47 2wdr h ILE 77 Cb 0.51 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 2wdr h ILE 77 CO 0.06 0.08 -0.80 -0.07 0.00 0.00 0.00 178.15 177.42 2wdr h LEU 78 N 0.45 0.34 -0.22 1.44 3.38 -1.02 -2.17 115.31 117.50 2wdr h LEU 78 Ca 0.53 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 58.17 2wdr h LEU 78 Cb 0.96 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 2wdr h LEU 78 CO -0.49 1.01 -0.20 0.74 0.09 0.00 0.00 178.44 179.59 2wdr h THR 79 N 0.17 1.32 -0.48 0.22 2.02 0.18 0.16 112.91 116.49 2wdr h THR 79 Ca -0.04 -1.34 0.08 0.00 0.77 0.00 0.00 66.41 65.87 2wdr h THR 79 Cb 1.39 1.70 -0.06 0.00 -1.74 0.00 0.00 68.15 69.44 2wdr h THR 79 CO 0.13 0.41 0.12 0.00 0.37 0.00 0.00 175.52 176.55 2wdr h ALA 80 N 0.67 0.56 -0.65 6.16 0.00 -0.01 0.22 119.26 126.20 2wdr h ALA 80 Ca 0.04 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2wdr h ALA 80 Cb 0.74 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2wdr h ALA 80 CO 0.05 -0.28 0.08 1.25 0.00 0.00 0.00 179.25 180.35 2wdr h LEU 81 N 0.27 1.05 -0.01 0.00 5.85 -1.29 -1.68 115.31 119.51 2wdr h LEU 81 Ca 0.24 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2wdr h LEU 81 Cb 0.30 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2wdr h LEU 81 CO -0.29 1.06 -0.12 0.00 -0.34 0.00 0.00 178.44 178.75 2wdr h ALA 82 N 1.06 -0.13 0.33 1.25 0.00 -0.08 -1.98 119.26 119.71 2wdr h ALA 82 Ca 0.20 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2wdr h ALA 82 Cb 0.47 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2wdr h ALA 82 CO 0.02 -0.61 -0.38 -0.92 0.00 0.00 0.00 179.25 177.35 2wdr h TYR 83 N -0.20 -1.04 -1.00 0.00 3.20 -0.78 -1.68 116.97 115.46 2wdr h TYR 83 Ca 0.05 0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.14 2wdr h TYR 83 Cb 0.26 0.41 -0.10 0.00 1.54 0.00 0.00 36.73 38.84 2wdr h TYR 83 CO -0.18 -0.52 0.62 1.25 -1.64 0.00 0.00 178.16 177.68 2wdr h HIS 84 N -0.75 0.96 -0.01 -3.82 2.76 -1.19 0.42 115.15 113.51 2wdr h HIS 84 Ca -0.02 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2wdr h HIS 84 Cb 0.69 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 29.37 2wdr h HIS 84 CO -0.24 0.17 -0.01 0.28 -1.30 0.00 0.00 177.93 176.83 2wdr h VAL 85 N 0.65 1.42 0.65 5.26 2.07 -0.85 -0.41 116.25 125.03 2wdr h VAL 85 Ca 0.58 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 2wdr h VAL 85 Cb 1.07 2.24 0.01 0.00 -1.52 0.00 0.00 31.29 33.09 2wdr h VAL 85 CO -0.37 0.32 -0.31 0.58 0.02 0.00 0.00 177.57 177.82 2wdr h VAL 86 N -0.50 0.34 -0.15 2.57 2.07 -0.70 -0.02 116.25 119.87 2wdr h VAL 86 Ca 0.00 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 2wdr h VAL 86 Cb 0.54 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2wdr h VAL 86 CO 0.00 0.01 -0.05 0.58 0.02 0.00 0.00 177.57 178.13 2wdr h VAL 87 N -0.92 1.13 -0.38 2.57 2.07 -1.05 -0.88 116.25 118.79 2wdr h VAL 87 Ca -0.09 -0.53 -0.11 0.00 0.82 0.00 0.00 66.70 66.79 2wdr h VAL 87 Cb 0.68 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2wdr h VAL 87 CO 0.15 0.17 -0.21 1.23 0.02 0.00 0.00 177.57 178.92 2wdr h GLY 88 N 0.55 0.80 1.73 2.17 0.00 -0.90 -1.06 103.07 106.37 2wdr h GLY 88 Ca 0.05 -0.67 -0.15 0.00 0.00 0.00 0.00 47.33 46.56 2wdr h GLY 88 CO 0.01 0.61 -0.59 -2.22 0.00 0.00 0.00 176.54 174.35 2wdr h ILE 89 N 0.65 1.37 0.13 2.60 2.04 0.02 -1.68 117.51 122.64 2wdr h ILE 89 Ca 0.09 -1.94 -0.00 0.00 1.00 0.00 0.00 64.86 64.01 2wdr h ILE 89 Cb 0.71 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 2wdr h ILE 89 CO 0.05 0.58 -0.09 -0.09 0.00 0.00 0.00 178.15 178.60 2wdr h ARG 90 N 0.21 -0.22 -0.13 2.37 2.43 -0.95 -0.26 114.38 117.84 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 1.10 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.63 2wdr h ARG 90 CO 0.09 -0.14 -0.46 1.25 -1.51 0.00 0.00 179.97 179.20 2wdr h HIS 91 N -0.22 -1.33 -0.22 2.20 2.76 -1.01 -1.98 115.15 115.35 2wdr h HIS 91 Ca -0.01 0.05 0.03 0.00 -2.20 0.00 0.00 60.37 58.25 2wdr h HIS 91 Cb 0.20 0.60 -0.01 0.00 1.55 0.00 0.00 27.41 29.74 2wdr h HIS 91 CO -0.10 -0.50 0.15 0.52 -1.30 0.00 0.00 177.93 176.71 2wdr h MET 92 N -0.52 0.16 -0.14 5.26 2.86 -1.14 -0.64 114.93 120.77 2wdr h MET 92 Ca 0.06 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 2wdr h MET 92 Cb 0.65 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 2wdr h MET 92 CO -0.41 0.10 -0.24 0.52 1.06 0.00 0.00 176.91 177.95 2wdr h MET 93 N 0.16 0.25 -0.10 1.72 2.07 -0.29 -1.60 114.93 117.15 2wdr h MET 93 Ca 0.10 -0.08 -0.08 0.00 -2.07 0.00 0.00 59.70 57.57 2wdr h MET 93 Cb 0.18 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 29.89 2wdr h MET 93 CO -0.02 0.48 -0.23 0.52 1.07 0.00 0.00 176.91 178.73 2wdr h MET 94 N 0.23 0.33 -0.12 1.72 2.86 -0.79 -0.00 114.93 119.16 2wdr h MET 94 Ca 0.04 -0.23 0.03 0.00 -2.06 0.00 0.00 59.70 57.49 2wdr h MET 94 Cb 0.55 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 2wdr h MET 94 CO 0.04 0.83 0.21 -0.44 1.06 0.00 0.00 176.91 178.61 2wdr h ASP 95 N -0.12 0.00 -0.04 1.22 3.32 -1.08 -1.09 116.42 118.64 2wdr h ASP 95 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wdr h ASP 95 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2wdr h ASP 95 CO 0.05 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.06 2wdr n PHE 96 N -3.44 0.02 -0.60 4.55 3.72 -0.63 -4.99 117.46 116.09 2wdr n PHE 96 Ca 0.00 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2wdr n PHE 96 Cb 0.31 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 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 0.81 0.77 0.22 1.37 0.00 -0.41 -4.90 105.19 103.04 2wdr n GLY 97 Ca 0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.25 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 -4.47 1.61 0.05 -1.26 -3.44 116.97 109.46 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 -5.86 2.22 0.46 3.88 1.43 -0.89 -4.95 118.68 114.97 2wdr s LEU 99 Ca 0.05 -0.40 -0.22 0.00 -1.03 0.00 0.00 54.13 52.52 2wdr s LEU 99 Cb 0.08 -1.39 -0.08 0.00 0.03 0.00 0.00 46.19 44.83 2wdr s LEU 99 CO 0.59 0.33 1.11 -1.61 0.23 0.00 0.00 176.35 177.00 2wdr s GLU 100 N -0.65 3.78 -0.28 1.70 2.02 -1.26 -4.56 118.70 119.45 2wdr s GLU 100 Ca 0.10 1.62 0.11 0.00 0.02 0.00 0.00 54.97 56.82 2wdr s GLU 100 Cb -0.10 -2.32 0.74 0.00 0.10 0.00 0.00 34.13 32.55 2wdr s GLU 100 CO -0.01 -0.49 1.74 0.39 0.02 0.00 0.00 175.26 176.91 2wdr n GLU 101 N -0.61 4.01 -1.78 1.61 1.02 -1.26 -4.49 120.64 119.14 2wdr n GLU 101 Ca 0.08 -2.96 -0.30 0.00 -0.02 0.00 0.00 57.16 53.96 2wdr n GLU 101 Cb 0.50 -2.20 0.08 0.00 -0.02 0.00 0.00 31.44 29.79 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 -2.80 2.88 0.04 2.62 -4.23 -1.26 -4.93 115.64 107.95 2wdr s THR 102 Ca 0.52 0.28 -0.21 0.00 -1.18 0.00 0.00 61.69 61.11 2wdr s THR 102 Cb 0.41 -3.20 -0.15 0.00 1.34 0.00 0.00 72.50 70.91 2wdr s THR 102 CO 0.14 -0.37 1.36 0.15 -0.54 0.00 0.00 174.62 175.35 2wdr h PHE 103 N -0.94 0.36 -0.31 3.99 3.57 -1.99 -2.02 116.94 119.60 2wdr h PHE 103 Ca -0.46 -0.10 0.07 0.00 3.53 0.00 0.00 57.97 61.01 2wdr h PHE 103 Cb 1.28 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.87 2wdr h PHE 103 CO 0.42 0.68 -0.18 0.93 -2.23 0.00 0.00 178.31 177.94 2wdr h GLU 104 N -0.06 -0.14 0.00 1.11 4.39 -1.97 -0.72 114.58 117.19 2wdr h GLU 104 Ca 0.02 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 2wdr h GLU 104 Cb 0.61 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2wdr h GLU 104 CO 0.03 -0.09 -0.12 0.00 -1.16 0.00 0.00 179.01 177.67 2wdr h ALA 105 N 1.06 1.42 0.10 3.43 0.00 -1.85 -0.54 119.26 122.88 2wdr h ALA 105 Ca 0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2wdr h ALA 105 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2wdr h ALA 105 CO -0.40 0.15 -0.05 0.78 0.00 0.00 0.00 179.25 179.73 2wdr h GLY 106 N 0.66 -0.13 0.64 0.00 0.00 -0.40 -2.41 103.07 101.43 2wdr h GLY 106 Ca -0.00 0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.39 2wdr h GLY 106 CO 0.02 -0.05 -0.21 0.50 0.00 0.00 0.00 176.54 176.80 2wdr h LYS 107 N -0.63 -0.38 -0.45 4.80 1.57 -0.72 -0.58 116.57 120.18 2wdr h LYS 107 Ca -0.01 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.88 2wdr h LYS 107 Cb 0.51 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.82 2wdr h LYS 107 CO 0.02 -0.25 -0.05 -0.09 -0.57 0.00 0.00 179.45 178.51 2wdr h ARG 108 N -0.39 0.05 -0.06 3.15 2.43 -1.18 -1.92 114.38 116.46 2wdr h ARG 108 Ca 0.03 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.05 2wdr h ARG 108 Cb 0.41 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 2wdr h ARG 108 CO -0.12 0.04 -0.61 0.66 -1.51 0.00 0.00 179.97 178.43 2wdr h SER 109 N 0.06 0.25 -0.20 -3.80 4.64 -1.23 -2.46 113.55 110.80 2wdr h SER 109 Ca 0.22 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.36 2wdr h SER 109 Cb 0.34 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 2wdr h SER 109 CO -0.42 0.80 0.03 0.00 -0.87 0.00 0.00 176.83 176.36 2wdr h ALA 110 N 1.21 1.50 0.09 5.18 0.00 -0.52 -0.25 119.26 126.47 2wdr h ALA 110 Ca -0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2wdr h ALA 110 Cb 1.11 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2wdr h ALA 110 CO 0.09 0.36 -0.05 0.87 0.00 0.00 0.00 179.25 180.53 2wdr h LYS 111 N 0.43 -0.12 -0.65 0.00 1.57 -1.12 -2.56 116.57 114.12 2wdr h LYS 111 Ca 0.10 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 59.02 2wdr h LYS 111 Cb 0.24 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 2wdr h LYS 111 CO 0.00 0.39 0.44 0.82 -0.57 0.00 0.00 179.45 180.54 2wdr h ILE 112 N -0.77 0.80 -0.34 1.86 2.04 -1.36 0.16 117.51 119.91 2wdr h ILE 112 Ca -0.01 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 2wdr h ILE 112 Cb 0.57 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 2wdr h ILE 112 CO 0.02 0.05 0.18 0.28 0.00 0.00 0.00 178.15 178.69 2wdr h SER 113 N 0.29 0.42 -0.40 1.72 0.02 -0.99 -1.33 113.55 113.28 2wdr h SER 113 Ca 0.31 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2wdr h SER 113 Cb 0.82 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 2wdr h SER 113 CO -0.08 0.39 0.21 -0.26 -1.14 0.00 0.00 176.83 175.96 2wdr h PHE 114 N 0.42 0.57 0.54 3.45 0.04 -0.30 -1.22 116.94 120.44 2wdr h PHE 114 Ca 0.12 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.84 2wdr h PHE 114 Cb 0.07 -0.18 0.01 0.00 2.20 0.00 0.00 35.95 38.04 2wdr h PHE 114 CO -0.03 0.45 -0.26 0.28 -0.60 0.00 0.00 178.31 178.16 2wdr h VAL 115 N 0.52 0.45 -1.10 -0.55 2.07 -1.16 -0.10 116.25 116.39 2wdr h VAL 115 Ca 0.14 -0.14 0.30 0.00 0.82 0.00 0.00 66.70 67.82 2wdr h VAL 115 Cb 0.09 0.51 -0.09 0.00 -1.52 0.00 0.00 31.29 30.28 2wdr h VAL 115 CO -0.02 0.02 0.73 0.40 0.02 0.00 0.00 177.57 178.72 2wdr h ILE 116 N -0.81 0.46 -0.08 4.57 2.04 -1.18 -1.17 117.51 121.34 2wdr h ILE 116 Ca -0.07 -0.09 -0.10 0.00 1.00 0.00 0.00 64.86 65.59 2wdr h ILE 116 Cb 0.59 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2wdr h ILE 116 CO 0.12 0.05 -0.35 0.74 0.00 0.00 0.00 178.15 178.71 2wdr h THR 117 N 0.27 1.41 -0.98 -0.27 2.02 -0.67 -2.39 112.91 112.30 2wdr h THR 117 Ca 0.60 -1.73 0.04 0.00 0.77 0.00 0.00 66.41 66.09 2wdr h THR 117 Cb 1.78 2.28 -0.06 0.00 -1.74 0.00 0.00 68.15 70.41 2wdr h THR 117 CO -0.24 0.50 0.64 0.58 0.37 0.00 0.00 175.52 177.38 2wdr h VAL 118 N -0.09 1.17 -0.60 3.16 2.07 0.11 0.37 116.25 122.44 2wdr h VAL 118 Ca -0.02 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 2wdr h VAL 118 Cb 1.00 -0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 2wdr h VAL 118 CO 0.07 0.23 0.25 0.58 0.02 0.00 0.00 177.57 178.72 2wdr h VAL 119 N 1.25 1.23 -0.61 2.57 2.07 -1.31 -1.41 116.25 120.04 2wdr h VAL 119 Ca 0.39 -0.70 -0.09 0.00 0.82 0.00 0.00 66.70 67.12 2wdr h VAL 119 Cb -0.00 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2wdr h VAL 119 CO -0.12 0.27 0.03 -0.07 0.02 0.00 0.00 177.57 177.71 2wdr h LEU 120 N 0.83 1.01 -1.15 2.57 3.38 -0.85 -2.53 115.31 118.56 2wdr h LEU 120 Ca 0.20 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2wdr h LEU 120 Cb 0.19 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 2wdr h LEU 120 CO -0.02 1.04 0.58 -1.28 0.09 0.00 0.00 178.44 178.85 2wdr h SER 121 N 0.96 0.98 0.68 -0.43 0.87 0.16 0.11 113.55 116.88 2wdr h SER 121 Ca 0.18 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.69 2wdr h SER 121 Cb 0.50 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2wdr h SER 121 CO 0.02 0.69 -0.33 -0.07 -0.53 0.00 0.00 176.83 176.62 2wdr h LEU 122 N 1.15 -0.77 -1.04 2.23 3.38 -1.21 -1.89 115.31 117.16 2wdr h LEU 122 Ca 0.33 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2wdr h LEU 122 Cb -0.08 0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2wdr h LEU 122 CO -0.08 -0.39 0.48 -0.07 0.09 0.00 0.00 178.44 178.47 2wdr h LEU 123 N -1.24 0.00 0.04 1.67 3.38 -1.19 0.42 115.31 118.40 2wdr h LEU 123 Ca -0.09 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2wdr h LEU 123 Cb 0.70 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.46 2wdr h LEU 123 CO 0.15 0.00 -0.29 0.00 0.09 0.00 0.00 178.44 178.39 2wdr h ALA 124 N 0.91 -0.02 -0.71 1.53 0.00 -0.37 -3.00 119.26 117.60 2wdr h ALA 124 Ca 0.00 -0.59 0.06 0.00 0.00 0.00 0.00 54.91 54.38 2wdr h ALA 124 Cb 0.96 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 2wdr h ALA 124 CO 0.00 0.14 0.41 0.78 0.00 0.00 0.00 179.25 180.58 2wdr h GLY 125 N -0.80 1.05 1.83 0.00 0.00 0.55 -0.87 103.07 104.82 2wdr h GLY 125 Ca -0.06 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2wdr h GLY 125 CO 0.04 0.19 0.11 -2.08 0.00 0.00 0.00 176.54 174.81 2wdr h VAL 126 N 0.76 1.04 0.00 4.60 2.07 -1.15 0.19 116.25 123.77 2wdr h VAL 126 Ca 0.31 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.75 2wdr h VAL 126 Cb 0.16 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2wdr h VAL 126 CO -0.17 0.04 0.00 0.25 0.02 0.00 0.00 177.57 177.71 2wdr h LEU 127 N 0.23 0.00 0.00 2.57 6.46 -1.02 -3.30 115.31 120.24 2wdr h LEU 127 Ca 0.06 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 2wdr h LEU 127 Cb -0.02 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.91 2wdr h LEU 127 CO -0.01 0.00 -0.67 0.52 -0.62 0.00 0.00 178.44 177.66 2wdr n VAL 128 N -2.82 0.00 1.92 1.05 0.31 -0.25 -5.10 118.33 113.45 2wdr n VAL 128 Ca 0.03 -0.27 0.16 0.00 -0.01 0.00 0.00 64.34 64.25 2wdr n VAL 128 Cb 0.40 0.83 0.88 0.00 -0.91 0.00 0.00 33.84 35.04 2wdr n VAL 128 CO 0.00 0.00 0.00 1.87 -1.32 0.00 0.00 176.83 177.38