#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wot s SER -1 N 0.00 5.50 -0.30 1.61 0.01 -1.26 -4.84 113.70 114.42 1wot s SER -1 Ca 0.00 -0.34 -0.07 0.00 1.31 0.00 0.00 55.95 56.85 1wot s SER -1 Cb 0.00 -2.55 0.18 0.00 0.21 0.00 0.00 66.02 63.86 1wot s SER -1 CO 0.00 -2.32 0.76 -1.38 0.41 0.00 0.00 173.24 170.71 1wot s HIS 0 N 8.45 -1.21 0.00 2.43 0.00 -1.26 -5.14 115.29 118.56 1wot s HIS 0 Ca 0.61 1.45 0.00 0.00 -3.00 0.00 0.00 55.06 54.12 1wot s HIS 0 Cb -0.08 0.49 0.00 0.00 -4.00 0.00 0.00 32.58 28.98 1wot s HIS 0 CO 0.09 -0.65 0.00 -0.12 -1.00 0.00 0.00 174.74 173.06 1wot n MET 1 N 5.40 0.00 -4.30 -0.38 1.56 -1.26 -4.97 117.12 113.17 1wot n MET 1 Ca -0.05 0.00 -0.18 0.00 -0.27 0.00 0.00 57.70 57.20 1wot n MET 1 Cb 0.52 0.00 -0.09 0.00 2.15 0.00 0.00 33.22 35.80 1wot n MET 1 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1wot s ASP 2 N 0.00 1.46 0.03 6.12 1.11 -1.26 -5.03 116.67 119.10 1wot s ASP 2 Ca 0.00 -1.64 -0.21 0.00 0.18 0.00 0.00 52.55 50.88 1wot s ASP 2 Cb 0.00 0.48 -0.15 0.00 1.07 0.00 0.00 42.92 44.32 1wot s ASP 2 CO 0.00 -0.97 1.32 -0.07 1.18 0.00 0.00 175.17 176.62 1wot h LEU 3 N 2.21 0.35 -0.24 1.23 -0.00 -2.00 -0.39 115.31 116.48 1wot h LEU 3 Ca -0.30 -0.50 -0.04 0.00 -0.00 0.00 0.00 57.88 57.04 1wot h LEU 3 Cb 1.24 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.79 1wot h LEU 3 CO 0.44 0.79 -0.01 -0.33 -0.00 0.00 0.00 178.44 179.33 1wot h GLU 4 N -0.07 0.43 -0.23 1.13 5.08 -2.00 -2.55 114.58 116.37 1wot h GLU 4 Ca 0.02 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1wot h GLU 4 Cb 0.70 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1wot h GLU 4 CO 0.04 0.61 0.07 1.15 -1.00 0.00 0.00 179.01 179.88 1wot h THR 5 N 0.20 1.10 -0.19 1.13 2.02 -1.96 -2.12 112.91 113.09 1wot h THR 5 Ca 0.07 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1wot h THR 5 Cb 0.42 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1wot h THR 5 CO 0.01 0.13 0.10 -0.07 0.37 0.00 0.00 175.52 176.06 1wot h LEU 6 N 0.32 0.25 -1.81 2.58 4.07 -0.75 -1.90 115.31 118.07 1wot h LEU 6 Ca 0.08 -0.11 0.11 0.00 0.08 0.00 0.00 57.88 58.03 1wot h LEU 6 Cb 0.10 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 41.75 1wot h LEU 6 CO -0.01 0.29 0.35 0.03 -1.08 0.00 0.00 178.44 178.02 1wot h ARG 7 N 0.19 0.21 0.49 1.13 2.47 -0.99 2.06 114.38 119.93 1wot h ARG 7 Ca 0.07 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.75 1wot h ARG 7 Cb 0.11 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1wot h ARG 7 CO -0.01 0.14 -0.25 0.00 0.56 0.00 0.00 179.97 180.41 1wot h ALA 8 N 1.75 -0.68 0.01 0.04 0.00 -1.05 -0.92 119.26 118.41 1wot h ALA 8 Ca 0.24 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 1wot h ALA 8 Cb 0.65 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1wot h ALA 8 CO -0.04 -0.89 -0.93 0.07 0.00 0.00 0.00 179.25 177.46 1wot h ARG 9 N -0.68 0.07 -0.22 0.00 0.11 -1.07 -3.14 114.38 109.44 1wot h ARG 9 Ca -0.06 -0.09 0.06 0.00 0.10 0.00 0.00 59.98 59.99 1wot h ARG 9 Cb 0.53 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.63 1wot h ARG 9 CO 0.10 0.94 0.16 -0.09 0.10 0.00 0.00 179.97 181.17 1wot h ARG 10 N 0.03 0.02 -0.05 0.08 9.65 0.35 1.84 114.38 126.29 1wot h ARG 10 Ca -0.03 -0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.82 1wot h ARG 10 Cb 1.61 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.19 1wot h ARG 10 CO 0.13 0.01 -0.11 0.93 2.80 0.00 0.00 179.97 183.73 1wot h GLU 11 N 0.02 0.16 -0.10 0.20 5.08 -1.12 0.84 114.58 119.66 1wot h GLU 11 Ca 0.10 -0.11 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 1wot h GLU 11 Cb 0.39 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1wot h GLU 11 CO -0.00 0.71 -0.74 0.00 -1.00 0.00 0.00 179.01 177.97 1wot h ALA 12 N 0.45 0.53 -0.67 3.43 0.00 -1.37 -2.87 119.26 118.77 1wot h ALA 12 Ca -0.00 -0.60 -0.08 0.00 0.00 0.00 0.00 54.91 54.22 1wot h ALA 12 Cb 0.71 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1wot h ALA 12 CO 0.02 0.74 0.09 0.28 0.00 0.00 0.00 179.25 180.39 1wot h VAL 13 N 0.34 1.27 -0.74 0.00 2.07 0.28 -1.20 116.25 118.27 1wot h VAL 13 Ca -0.04 -1.06 0.04 0.00 0.82 0.00 0.00 66.70 66.46 1wot h VAL 13 Cb 1.33 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 1wot h VAL 13 CO 0.13 0.40 0.45 -0.07 0.02 0.00 0.00 177.57 178.50 1wot h LEU 14 N 1.04 0.72 -0.87 2.57 -0.00 -0.74 2.04 115.31 120.06 1wot h LEU 14 Ca 0.20 0.01 -0.08 0.00 -0.00 0.00 0.00 57.88 58.01 1wot h LEU 14 Cb 0.47 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.96 1wot h LEU 14 CO 0.02 0.48 -0.05 0.28 -0.00 0.00 0.00 178.44 179.17 1wot h SER 15 N 0.86 0.76 0.28 -0.43 0.02 -1.24 -1.84 113.55 111.96 1wot h SER 15 Ca 0.31 -0.20 -0.24 0.00 -0.84 0.00 0.00 61.79 60.82 1wot h SER 15 Cb 0.09 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 62.43 1wot h SER 15 CO -0.14 0.86 -0.97 0.25 -1.14 0.00 0.00 176.83 175.69 1wot h LEU 16 N 0.72 0.60 -0.80 5.07 6.46 0.04 -2.30 115.31 125.12 1wot h LEU 16 Ca 0.13 -0.49 0.07 0.00 -0.12 0.00 0.00 57.88 57.48 1wot h LEU 16 Cb 0.51 -0.19 -0.06 0.00 -0.73 0.00 0.00 40.66 40.19 1wot h LEU 16 CO 0.03 1.29 0.47 0.00 -0.62 0.00 0.00 178.44 179.61 1wot h ALA 18 N 1.41 0.96 0.00 0.00 0.00 -1.16 0.38 119.26 120.84 1wot h ALA 18 Ca 0.36 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1wot h ALA 18 Cb 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1wot h ALA 18 CO -0.20 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1wot h ARG 19 N 0.24 0.00 0.02 0.00 3.08 -0.23 -1.97 114.38 115.52 1wot h ARG 19 Ca 0.01 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.73 1wot h ARG 19 Cb 0.95 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.95 1wot h ARG 19 CO 0.08 0.00 -1.99 0.72 -1.07 0.00 0.00 179.97 177.71 1wot n HIS 20 N -3.00 0.69 0.00 3.04 8.25 -0.33 -4.97 115.22 118.91 1wot n HIS 20 Ca -0.01 0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1wot n HIS 20 Cb 0.19 -1.12 0.00 0.00 1.12 0.00 0.00 29.99 30.18 1wot n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wot n GLY 21 N 1.71 0.81 3.59 -1.41 0.00 -0.67 -4.92 105.19 104.30 1wot n GLY 21 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1wot n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wot s ALA 22 N -0.13 2.52 -0.27 4.61 0.00 0.13 -2.02 121.76 126.60 1wot s ALA 22 Ca 0.00 0.29 -0.03 0.00 0.00 0.00 0.00 51.96 52.22 1wot s ALA 22 Cb 0.00 -4.13 -0.15 0.00 0.00 0.00 0.00 23.12 18.84 1wot s ALA 22 CO 0.00 -3.15 -0.27 1.33 0.00 0.00 0.00 175.76 173.66 1wot n VAL 23 N 7.61 1.50 -2.83 0.00 0.24 -0.19 -2.78 118.33 121.88 1wot n VAL 23 Ca 0.27 -0.51 -0.44 0.00 -2.04 0.00 0.00 64.34 61.63 1wot n VAL 23 Cb 0.48 -1.57 -0.00 0.00 -1.47 0.00 0.00 33.84 31.28 1wot n VAL 23 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1wot s ARG 24 N -2.51 4.01 -0.38 7.34 1.81 -1.25 -4.95 118.95 123.02 1wot s ARG 24 Ca -0.36 -2.30 -0.20 0.00 -1.72 0.00 0.00 55.73 51.14 1wot s ARG 24 Cb 0.11 -5.20 0.01 0.00 -0.45 0.00 0.00 34.95 29.42 1wot s ARG 24 CO 0.56 -1.92 0.63 0.08 -0.68 0.00 0.00 175.30 173.97 1wot s VAL 25 N 2.54 4.88 0.01 3.52 1.01 -1.26 -3.38 120.40 127.72 1wot s VAL 25 Ca 0.45 0.46 -0.17 0.00 0.00 0.00 0.00 61.98 62.73 1wot s VAL 25 Cb -0.01 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 32.30 1wot s VAL 25 CO 0.01 -0.38 0.37 -0.13 0.00 0.00 0.00 175.10 174.97 1wot s ARG 26 N 2.73 0.80 -0.24 2.72 0.52 -1.21 -4.14 118.95 120.12 1wot s ARG 26 Ca 0.24 -0.27 -0.08 0.00 -0.52 0.00 0.00 55.73 55.10 1wot s ARG 26 Cb -0.14 0.36 -0.04 0.00 0.52 0.00 0.00 34.95 35.65 1wot s ARG 26 CO 0.16 -0.25 0.10 0.08 0.02 0.00 0.00 175.30 175.41 1wot s VAL 27 N -1.89 4.68 -0.06 3.52 1.01 0.10 -2.98 120.40 124.79 1wot s VAL 27 Ca -0.09 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 61.88 1wot s VAL 27 Cb -0.03 -3.18 -0.00 0.00 0.00 0.00 0.00 36.38 33.17 1wot s VAL 27 CO 0.01 0.34 -0.18 0.72 0.00 0.00 0.00 175.10 175.99 1wot s PHE 28 N 1.39 1.88 -0.33 5.22 -0.12 -1.23 -0.05 117.98 124.74 1wot s PHE 28 Ca 0.06 -0.61 0.00 0.00 -0.05 0.00 0.00 56.93 56.32 1wot s PHE 28 Cb -0.15 -1.28 0.00 0.00 -0.63 0.00 0.00 43.02 40.97 1wot s PHE 28 CO 0.05 -0.23 0.00 0.41 -0.05 0.00 0.00 175.22 175.40 1wot n GLY 29 N 3.31 0.52 0.13 1.99 0.00 -1.26 -4.45 105.19 105.44 1wot n GLY 29 Ca -0.19 -2.21 -0.01 0.00 0.00 0.00 0.00 46.02 43.60 1wot n GLY 29 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wot h SER 30 N 0.00 0.00 -0.25 1.61 0.02 -1.94 -3.06 113.55 109.92 1wot h SER 30 Ca 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1wot h SER 30 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1wot h SER 30 CO 0.00 0.63 0.06 0.58 -1.14 0.00 0.00 176.83 176.96 1wot h VAL 31 N 0.00 0.90 -0.17 2.27 2.07 -1.55 1.19 116.25 120.96 1wot h VAL 31 Ca -0.01 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1wot h VAL 31 Cb 1.13 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1wot h VAL 31 CO 0.08 0.03 0.06 0.00 0.02 0.00 0.00 177.57 177.76 1wot h ALA 32 N 1.17 1.79 0.00 1.67 0.00 -1.79 0.16 119.26 122.27 1wot h ALA 32 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wot h ALA 32 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1wot h ALA 32 CO -0.14 0.17 -0.06 0.54 0.00 0.00 0.00 179.25 179.76 1wot n ARG 33 N -4.46 0.25 -0.12 0.00 1.74 -0.10 -4.91 116.66 109.07 1wot n ARG 33 Ca -0.00 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 1wot n ARG 33 Cb 0.12 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 29.78 1wot n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wot n GLY 34 N 1.32 0.83 2.80 -0.13 0.00 0.16 -5.08 105.19 105.10 1wot n GLY 34 Ca 0.05 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 1wot n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wot s GLU 35 N 0.08 0.35 0.00 1.61 0.41 0.36 -4.94 118.70 116.57 1wot s GLU 35 Ca 0.00 0.10 0.00 0.00 -0.41 0.00 0.00 54.97 54.66 1wot s GLU 35 Cb 0.00 -0.59 0.00 0.00 -1.78 0.00 0.00 34.13 31.76 1wot s GLU 35 CO 0.00 -0.17 0.00 0.00 -0.49 0.00 0.00 175.26 174.60 1wot n ALA 36 N 4.39 0.00 -3.72 5.21 0.00 -1.26 -1.53 120.51 123.60 1wot n ALA 36 Ca -0.21 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.08 1wot n ALA 36 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.95 1wot n ALA 36 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1wot n ARG 37 N 0.00 1.07 0.00 0.00 0.00 -1.26 -5.00 116.66 111.47 1wot n ARG 37 Ca 0.00 -1.80 0.15 0.00 -0.00 0.00 0.00 57.85 56.20 1wot n ARG 37 Cb 0.00 0.20 0.79 0.00 -0.00 0.00 0.00 32.46 33.45 1wot n ARG 37 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1wot n GLU 38 N -1.16 1.13 -0.12 2.89 -0.58 -1.26 -2.82 120.64 118.72 1wot n GLU 38 Ca -0.01 -0.30 0.04 0.00 -0.42 0.00 0.00 57.16 56.47 1wot n GLU 38 Cb 0.33 -1.49 0.10 0.00 -0.57 0.00 0.00 31.44 29.80 1wot n GLU 38 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1wot n ASP 39 N -0.68 2.61 -4.54 1.62 -0.08 -1.26 -5.01 116.55 109.22 1wot n ASP 39 Ca 0.21 -2.01 -0.25 0.00 -1.51 0.00 0.00 54.79 51.23 1wot n ASP 39 Cb 0.20 -0.15 -0.11 0.00 2.34 0.00 0.00 41.12 43.40 1wot n ASP 39 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1wot s SER 40 N -1.01 3.30 0.52 1.67 0.15 -1.13 -5.16 113.70 112.04 1wot s SER 40 Ca 0.15 -1.32 0.08 0.00 0.70 0.00 0.00 55.95 55.56 1wot s SER 40 Cb 0.08 -0.28 0.04 0.00 -1.71 0.00 0.00 66.02 64.16 1wot s SER 40 CO 0.10 -0.44 0.57 1.51 1.20 0.00 0.00 173.24 176.18 1wot s ASP 41 N -3.60 5.01 -0.31 5.45 -4.77 -1.26 -4.76 116.67 112.43 1wot s ASP 41 Ca 0.34 -0.90 -0.05 0.00 -3.30 0.00 0.00 52.55 48.64 1wot s ASP 41 Cb 0.08 0.06 0.03 0.00 -1.09 0.00 0.00 42.92 42.00 1wot s ASP 41 CO 0.16 -1.07 0.07 -0.22 0.70 0.00 0.00 175.17 174.81 1wot s LEU 42 N -4.41 4.02 -0.35 2.11 2.96 -1.26 -4.91 118.68 116.84 1wot s LEU 42 Ca 0.50 -1.00 -0.24 0.00 -0.22 0.00 0.00 54.13 53.17 1wot s LEU 42 Cb -0.05 -1.83 0.01 0.00 0.50 0.00 0.00 46.19 44.82 1wot s LEU 42 CO 0.31 -0.26 0.82 -1.81 -1.32 0.00 0.00 176.35 174.09 1wot s ASP 43 N 1.41 6.62 -0.06 3.68 1.01 -1.26 -0.17 116.67 127.90 1wot s ASP 43 Ca -0.01 0.50 0.01 0.00 0.71 0.00 0.00 52.55 53.76 1wot s ASP 43 Cb -0.19 -2.42 0.02 0.00 1.01 0.00 0.00 42.92 41.35 1wot s ASP 43 CO 0.02 -0.73 -0.05 -0.76 0.21 0.00 0.00 175.17 173.86 1wot s LEU 44 N 3.15 1.20 -0.34 1.23 1.43 -0.31 -3.57 118.68 121.47 1wot s LEU 44 Ca 0.33 -0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.17 1wot s LEU 44 Cb -0.13 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.57 1wot s LEU 44 CO 0.16 -0.08 0.19 -0.22 0.23 0.00 0.00 176.35 176.63 1wot s LEU 45 N 1.17 4.40 0.22 1.79 1.98 -1.16 0.05 118.68 127.13 1wot s LEU 45 Ca -0.07 -0.69 0.10 0.00 -2.89 0.00 0.00 54.13 50.58 1wot s LEU 45 Cb -0.14 -2.03 -0.05 0.00 0.66 0.00 0.00 46.19 44.63 1wot s LEU 45 CO -0.01 -0.27 -0.18 0.68 -1.89 0.00 0.00 176.35 174.68 1wot s VAL 46 N 1.61 2.04 -0.13 1.68 -7.23 0.87 -3.31 120.40 115.91 1wot s VAL 46 Ca 0.04 -2.21 0.01 0.00 -1.81 0.00 0.00 61.98 58.01 1wot s VAL 46 Cb -0.18 -2.10 0.02 0.00 0.56 0.00 0.00 36.38 34.69 1wot s VAL 46 CO 0.07 -0.45 -0.14 0.00 -0.31 0.00 0.00 175.10 174.27 1wot s ALA 47 N -2.57 1.76 -0.23 1.32 0.00 -1.22 -2.13 121.76 118.69 1wot s ALA 47 Ca 0.24 -0.81 -0.18 0.00 0.00 0.00 0.00 51.96 51.21 1wot s ALA 47 Cb -0.04 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 1wot s ALA 47 CO 0.10 -0.27 0.49 -0.06 0.00 0.00 0.00 175.76 176.02 1wot s PHE 48 N 1.31 3.31 0.00 0.00 0.40 -1.26 -1.02 117.98 120.72 1wot s PHE 48 Ca 0.01 0.67 0.00 0.00 -0.60 0.00 0.00 56.93 57.00 1wot s PHE 48 Cb -0.14 -2.67 0.00 0.00 0.51 0.00 0.00 43.02 40.72 1wot s PHE 48 CO -0.07 -0.19 0.00 -0.85 0.70 0.00 0.00 175.22 174.81 1wot n GLU 49 N 5.15 0.30 0.00 0.44 0.28 -0.86 -4.78 120.64 121.18 1wot n GLU 49 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 1wot n GLU 49 Cb 0.50 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.37 1wot n GLU 49 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1wot n GLU 50 N -0.83 0.00 -2.85 3.44 2.13 -1.26 -3.08 120.64 118.19 1wot n GLU 50 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 1wot n GLU 50 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.72 1wot n GLU 50 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wot n GLY 51 N 0.00 5.60 3.74 8.31 0.00 -1.26 -5.01 105.19 116.57 1wot n GLY 51 Ca 0.00 -2.64 -0.40 0.00 0.00 0.00 0.00 46.02 42.98 1wot n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wot s ARG 52 N -3.48 4.74 0.43 1.61 1.81 -1.18 -5.05 118.95 117.83 1wot s ARG 52 Ca 0.35 1.57 0.08 0.00 -1.72 0.00 0.00 55.73 56.00 1wot s ARG 52 Cb 0.12 -3.29 -0.00 0.00 -0.45 0.00 0.00 34.95 31.32 1wot s ARG 52 CO 0.00 0.32 0.47 0.95 -0.68 0.00 0.00 175.30 176.35 1wot s THR 53 N -0.70 2.68 0.44 0.02 -4.23 -1.26 -4.99 115.64 107.60 1wot s THR 53 Ca 0.45 -1.22 0.13 0.00 -1.18 0.00 0.00 61.69 59.86 1wot s THR 53 Cb -0.27 -2.90 0.31 0.00 1.34 0.00 0.00 72.50 70.98 1wot s THR 53 CO 0.33 0.00 2.02 0.25 -0.54 0.00 0.00 174.62 176.68 1wot h LEU 54 N 0.84 0.34 -0.79 4.79 7.12 -1.98 0.03 115.31 125.64 1wot h LEU 54 Ca -0.40 0.00 0.09 0.00 0.13 0.00 0.00 57.88 57.70 1wot h LEU 54 Cb 1.27 -0.07 -0.07 0.00 -0.53 0.00 0.00 40.66 41.26 1wot h LEU 54 CO 0.52 0.22 0.45 -0.07 -0.13 0.00 0.00 178.44 179.43 1wot h LEU 55 N 0.38 0.64 -0.55 2.25 3.38 -1.99 0.34 115.31 119.77 1wot h LEU 55 Ca 0.21 0.05 -0.15 0.00 0.09 0.00 0.00 57.88 58.08 1wot h LEU 55 Cb 0.34 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1wot h LEU 55 CO -0.05 0.38 -0.45 0.44 0.09 0.00 0.00 178.44 178.84 1wot h ASP 56 N 0.77 0.71 -0.10 -0.43 3.32 -1.40 -1.31 116.42 117.96 1wot h ASP 56 Ca 0.38 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1wot h ASP 56 Cb 0.33 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1wot h ASP 56 CO -0.24 1.05 0.07 0.45 -1.72 0.00 0.00 179.24 178.85 1wot h HIS 57 N 0.53 0.13 -0.26 4.55 3.86 -0.20 -0.40 115.15 123.36 1wot h HIS 57 Ca 0.03 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.20 1wot h HIS 57 Cb 0.99 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.40 1wot h HIS 57 CO 0.05 0.10 -0.04 0.00 0.86 0.00 0.00 177.93 178.90 1wot h ALA 58 N 1.02 1.45 -0.74 2.45 0.00 -0.34 0.38 119.26 123.48 1wot h ALA 58 Ca 0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1wot h ALA 58 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1wot h ALA 58 CO -0.01 0.39 0.30 0.00 0.00 0.00 0.00 179.25 179.93 1wot h ARG 59 N 0.39 1.10 -0.09 0.00 2.47 -0.39 0.77 114.38 118.63 1wot h ARG 59 Ca 0.08 -0.19 -0.21 0.00 -1.26 0.00 0.00 59.98 58.41 1wot h ARG 59 Cb 0.32 -0.18 0.01 0.00 -1.65 0.00 0.00 29.97 28.47 1wot h ARG 59 CO 0.01 0.89 -0.75 1.25 0.56 0.00 0.00 179.97 181.93 1wot h LEU 60 N 1.07 0.81 -0.72 3.04 6.46 -0.35 0.18 115.31 125.79 1wot h LEU 60 Ca 0.25 -0.67 -0.07 0.00 -0.12 0.00 0.00 57.88 57.26 1wot h LEU 60 Cb 0.20 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 39.86 1wot h LEU 60 CO -0.02 1.36 0.13 0.07 -0.62 0.00 0.00 178.44 179.36 1wot h LYS 61 N 0.32 1.11 -0.08 1.25 5.09 -0.61 0.73 116.57 124.39 1wot h LYS 61 Ca -0.07 -0.28 -0.17 0.00 0.09 0.00 0.00 60.65 60.21 1wot h LYS 61 Cb 1.40 -0.14 -0.01 0.00 0.10 0.00 0.00 32.23 33.58 1wot h LYS 61 CO 0.15 1.00 -0.69 1.37 -2.09 0.00 0.00 179.45 179.19 1wot h LEU 62 N 1.05 0.45 -0.47 7.07 8.10 0.57 -0.85 115.31 131.23 1wot h LEU 62 Ca 0.21 -0.28 -0.17 0.00 0.11 0.00 0.00 57.88 57.75 1wot h LEU 62 Cb 0.41 -0.13 -0.00 0.00 -0.44 0.00 0.00 40.66 40.50 1wot h LEU 62 CO 0.01 1.01 -0.61 0.00 -4.11 0.00 0.00 178.44 174.73 1wot h ALA 63 N 0.99 0.65 -0.27 0.17 0.00 -0.16 -2.02 119.26 118.61 1wot h ALA 63 Ca -0.02 -0.54 -0.15 0.00 0.00 0.00 0.00 54.91 54.20 1wot h ALA 63 Cb 1.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1wot h ALA 63 CO 0.12 0.71 -0.43 -0.07 0.00 0.00 0.00 179.25 179.57 1wot h LEU 64 N 0.39 0.74 -1.19 0.00 3.38 0.59 -1.54 115.31 117.68 1wot h LEU 64 Ca -0.01 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.54 1wot h LEU 64 Cb 1.17 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1wot h LEU 64 CO 0.11 1.07 -0.23 -0.33 0.09 0.00 0.00 178.44 179.15 1wot h GLU 65 N 0.56 0.28 -0.01 1.13 5.08 -1.01 0.28 114.58 120.87 1wot h GLU 65 Ca 0.04 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1wot h GLU 65 Cb 0.98 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1wot h GLU 65 CO 0.09 0.50 -0.03 0.78 -1.00 0.00 0.00 179.01 179.34 1wot h GLY 66 N 0.94 0.05 0.93 -3.84 0.00 -1.09 1.87 103.07 101.93 1wot h GLY 66 Ca 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1wot h GLY 66 CO 0.04 0.05 0.09 1.41 0.00 0.00 0.00 176.54 178.14 1wot h LEU 67 N -0.56 0.57 0.00 3.11 4.07 -1.18 -2.17 115.31 119.15 1wot h LEU 67 Ca -0.00 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.73 1wot h LEU 67 Cb 0.66 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.25 1wot h LEU 67 CO 0.01 0.65 -0.14 0.18 -1.08 0.00 0.00 178.44 178.05 1wot n LEU 68 N -4.59 0.71 -1.29 1.67 4.77 0.97 -4.88 117.00 114.35 1wot n LEU 68 Ca -0.01 0.48 -0.09 0.00 -0.03 0.00 0.00 56.01 56.36 1wot n LEU 68 Cb 0.20 -0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 1wot n LEU 68 CO 0.38 -0.13 -0.09 0.61 -1.33 0.00 0.00 177.39 176.83 1wot n GLY 69 N 1.34 0.85 3.16 -0.72 0.00 0.63 -4.85 105.19 105.59 1wot n GLY 69 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 1wot n GLY 69 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wot s VAL 70 N -1.80 0.16 0.17 1.61 -7.23 -0.89 -4.97 120.40 107.46 1wot s VAL 70 Ca 0.00 -1.58 -0.33 0.00 -1.81 0.00 0.00 61.98 58.26 1wot s VAL 70 Cb 0.00 -1.56 -0.15 0.00 0.56 0.00 0.00 36.38 35.23 1wot s VAL 70 CO 0.00 -0.75 1.36 0.54 -0.31 0.00 0.00 175.10 175.94 1wot n ARG 71 N -0.00 1.64 -4.30 4.82 1.74 -1.26 -4.42 116.66 114.88 1wot n ARG 71 Ca -0.13 0.59 -0.19 0.00 -0.77 0.00 0.00 57.85 57.35 1wot n ARG 71 Cb 0.62 -2.22 -0.15 0.00 -1.02 0.00 0.00 32.46 29.69 1wot n ARG 71 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1wot s VAL 72 N 0.22 0.64 -0.28 1.55 1.01 -1.26 -4.25 120.40 118.03 1wot s VAL 72 Ca 0.75 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.40 1wot s VAL 72 Cb -0.77 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.05 1wot s VAL 72 CO 0.47 0.21 0.01 -0.62 0.00 0.00 0.00 175.10 175.16 1wot s ASP 73 N 0.18 4.73 -0.03 3.32 -1.08 0.77 -4.87 116.67 119.69 1wot s ASP 73 Ca -0.02 -0.88 -0.00 0.00 -0.52 0.00 0.00 52.55 51.12 1wot s ASP 73 Cb -0.07 -1.76 -0.04 0.00 -1.46 0.00 0.00 42.92 39.59 1wot s ASP 73 CO 0.00 -0.18 0.03 -0.63 0.52 0.00 0.00 175.17 174.91 1wot s ILE 74 N 1.38 4.39 0.03 4.11 1.01 -1.26 -1.16 121.20 129.70 1wot s ILE 74 Ca 0.00 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.28 1wot s ILE 74 Cb -0.17 -2.94 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 1wot s ILE 74 CO -0.01 0.45 -0.13 -0.69 0.00 0.00 0.00 174.94 174.56 1wot s VAL 75 N -1.05 0.98 -0.22 2.92 1.01 0.11 -4.93 120.40 119.22 1wot s VAL 75 Ca 0.18 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 1wot s VAL 75 Cb -0.12 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 1wot s VAL 75 CO 0.09 0.01 0.02 -0.94 0.00 0.00 0.00 175.10 174.27 1wot s SER 76 N -1.01 4.85 0.57 3.32 1.04 -1.25 -0.09 113.70 121.12 1wot s SER 76 Ca 0.01 -0.24 0.46 0.00 0.48 0.00 0.00 55.95 56.66 1wot s SER 76 Cb -0.07 -1.85 1.60 0.00 0.10 0.00 0.00 66.02 65.80 1wot s SER 76 CO 0.01 0.01 1.54 -0.33 0.98 0.00 0.00 173.24 175.44 1wot h GLU 77 N 7.92 0.00 0.28 4.02 5.08 -1.81 0.98 114.58 131.05 1wot h GLU 77 Ca -0.38 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1wot h GLU 77 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1wot h GLU 77 CO 0.60 0.00 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.38 1wot h ARG 78 N 0.00 -0.36 0.00 2.33 2.43 -1.93 -2.97 114.38 113.88 1wot h ARG 78 Ca 0.85 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 60.05 1wot h ARG 78 Cb 3.59 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 33.22 1wot h ARG 78 CO -0.01 -0.01 0.00 0.78 -1.51 0.00 0.00 179.97 179.22 1wot h GLY 79 N -0.80 0.00 -0.51 2.80 0.00 0.48 -3.43 103.07 101.61 1wot h GLY 79 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.07 1wot h GLY 79 CO 0.06 0.00 0.03 1.04 0.00 0.00 0.00 176.54 177.67 1wot n LEU 80 N -2.83 0.00 -4.68 3.11 4.77 0.08 -4.98 117.00 112.48 1wot n LEU 80 Ca -0.01 -0.61 -0.28 0.00 -0.03 0.00 0.00 56.01 55.07 1wot n LEU 80 Cb 0.16 -0.56 -0.09 0.00 -2.33 0.00 0.00 43.42 40.60 1wot n LEU 80 CO 0.21 -1.81 -0.24 0.00 -1.33 0.00 0.00 177.39 174.21 1wot s ALA 81 N -2.77 3.50 0.01 -1.18 0.00 -1.26 -4.95 121.76 115.11 1wot s ALA 81 Ca 0.39 -1.81 -0.20 0.00 0.00 0.00 0.00 51.96 50.35 1wot s ALA 81 Cb -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 23.12 22.86 1wot s ALA 81 CO 0.31 -0.12 1.13 -1.00 0.00 0.00 0.00 175.76 176.08 1wot h PRO 82 N 1.58 0.41 0.00 0.00 0.13 -1.97 0.52 132.00 132.67 1wot h PRO 82 Ca -0.43 -0.40 -0.10 0.00 -0.87 0.00 0.00 66.00 64.20 1wot h PRO 82 Cb 1.26 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 1wot h PRO 82 CO 0.77 1.05 -0.46 0.07 -0.23 0.00 0.00 178.00 179.20 1wot h ARG 83 N -0.09 0.00 0.04 0.86 0.11 -2.00 -2.81 114.38 110.50 1wot h ARG 83 Ca -0.06 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.90 1wot h ARG 83 Cb 1.21 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.29 1wot h ARG 83 CO 0.10 0.46 -0.61 -0.07 0.10 0.00 0.00 179.97 179.96 1wot h LEU 84 N 0.00 0.13 -0.33 0.08 4.07 -1.96 -3.13 115.31 114.16 1wot h LEU 84 Ca -0.00 -0.86 0.07 0.00 0.08 0.00 0.00 57.88 57.16 1wot h LEU 84 Cb 1.28 -0.04 -0.07 0.00 1.08 0.00 0.00 40.66 42.91 1wot h LEU 84 CO 0.06 1.26 -0.11 -0.09 -1.08 0.00 0.00 178.44 178.48 1wot h ARG 85 N -0.80 -0.04 -0.79 1.13 2.43 -0.02 1.47 114.38 117.76 1wot h ARG 85 Ca -0.14 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.12 1wot h ARG 85 Cb 1.28 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.77 1wot h ARG 85 CO -0.01 -0.03 0.44 0.93 -1.51 0.00 0.00 179.97 179.79 1wot h GLU 86 N -0.04 0.73 -0.16 0.20 4.39 -1.64 0.54 114.58 118.60 1wot h GLU 86 Ca 0.16 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.63 1wot h GLU 86 Cb 0.29 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1wot h GLU 86 CO -0.37 0.48 -0.66 1.96 -1.16 0.00 0.00 179.01 179.27 1wot h GLN 87 N 0.75 0.62 -0.07 2.33 4.20 -1.07 -2.54 115.11 119.33 1wot h GLN 87 Ca 0.38 -0.45 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1wot h GLN 87 Cb 0.33 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1wot h GLN 87 CO -0.24 1.07 0.03 0.28 -0.67 0.00 0.00 178.83 179.30 1wot h VAL 88 N 0.45 1.14 -0.85 -0.54 2.07 0.32 -2.33 116.25 116.51 1wot h VAL 88 Ca -0.02 -0.40 0.09 0.00 0.82 0.00 0.00 66.70 67.20 1wot h VAL 88 Cb 1.24 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 32.22 1wot h VAL 88 CO 0.13 0.12 0.55 -0.07 0.02 0.00 0.00 177.57 178.31 1wot h LEU 89 N -0.03 0.74 -2.31 2.57 3.38 0.03 1.81 115.31 121.50 1wot h LEU 89 Ca 0.03 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.05 1wot h LEU 89 Cb 0.16 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1wot h LEU 89 CO -0.00 0.44 0.21 0.03 0.09 0.00 0.00 178.44 179.21 1wot h ARG 90 N 0.82 0.00 0.00 1.13 3.08 -0.97 -2.71 114.38 115.73 1wot h ARG 90 Ca 0.39 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.23 1wot h ARG 90 Cb 0.41 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 1wot h ARG 90 CO -0.16 0.00 -1.79 0.39 -1.07 0.00 0.00 179.97 177.34 1wot n GLU 91 N -3.40 0.34 -1.45 0.04 -0.58 0.12 -4.98 120.64 110.73 1wot n GLU 91 Ca 0.00 0.09 -0.61 0.00 -0.42 0.00 0.00 57.16 56.22 1wot n GLU 91 Cb 0.30 -1.22 -0.10 0.00 -0.57 0.00 0.00 31.44 29.84 1wot n GLU 91 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wot n ALA 92 N -3.06 -0.60 -3.22 0.62 0.00 0.57 -4.56 120.51 110.27 1wot n ALA 92 Ca -0.25 0.34 -0.32 0.00 0.00 0.00 0.00 53.44 53.20 1wot n ALA 92 Cb 0.75 -1.90 -0.16 0.00 0.00 0.00 0.00 19.45 18.14 1wot n ALA 92 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1wot s ILE 93 N 4.18 2.40 0.11 0.00 -4.36 0.92 -4.71 121.20 119.75 1wot s ILE 93 Ca 1.07 -0.89 -0.30 0.00 -0.26 0.00 0.00 60.65 60.26 1wot s ILE 93 Cb -1.43 -1.96 -0.06 0.00 1.25 0.00 0.00 42.46 40.26 1wot s ILE 93 CO 0.71 0.55 1.14 -2.16 0.24 0.00 0.00 174.94 175.42 1wot s PRO 94 N 0.41 4.51 0.00 0.37 0.04 -1.26 0.01 135.00 139.08 1wot s PRO 94 Ca -0.15 1.73 0.27 0.00 0.04 0.00 0.00 61.00 62.89 1wot s PRO 94 Cb -0.17 -3.32 0.78 0.00 0.04 0.00 0.00 34.50 31.83 1wot s PRO 94 CO 0.07 -0.10 1.60 -0.11 0.04 0.00 0.00 177.00 178.49