#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dnc s ALA 4 N 0.00 3.06 -0.04 1.51 0.00 -0.80 -4.30 121.76 121.19 3dnc s ALA 4 Ca 0.00 1.17 0.07 0.00 0.00 0.00 0.00 51.96 53.19 3dnc s ALA 4 Cb 0.00 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 3dnc s ALA 4 CO 0.00 -0.92 -0.24 0.54 0.00 0.00 0.00 175.76 175.14 3dnc s VAL 5 N -1.36 1.94 0.03 0.00 0.11 0.10 -1.81 120.40 119.42 3dnc s VAL 5 Ca 0.63 -1.03 0.05 0.00 -2.93 0.00 0.00 61.98 58.70 3dnc s VAL 5 Cb -0.36 -1.63 -0.02 0.00 -1.53 0.00 0.00 36.38 32.84 3dnc s VAL 5 CO 0.44 0.55 -0.16 -0.83 -3.33 0.00 0.00 175.10 171.77 3dnc s GLY 6 N -0.33 0.85 -0.10 6.54 0.00 -0.06 -1.03 107.32 113.19 3dnc s GLY 6 Ca 0.02 -0.83 -0.10 0.00 0.00 0.00 0.00 44.72 43.82 3dnc s GLY 6 CO 0.01 -0.77 0.28 -3.16 0.00 0.00 0.00 173.10 169.47 3dnc s MET 7 N -0.93 0.34 -0.10 2.90 0.23 -0.66 -0.32 119.30 120.77 3dnc s MET 7 Ca 0.04 0.38 0.02 0.00 -1.03 0.00 0.00 55.69 55.09 3dnc s MET 7 Cb -0.07 0.16 0.02 0.00 -1.53 0.00 0.00 34.83 33.41 3dnc s MET 7 CO 0.01 -0.04 -0.14 0.42 -2.03 0.00 0.00 175.02 173.23 3dnc s ILE 8 N 0.11 1.43 -0.20 3.16 1.01 -0.90 -1.88 121.20 123.92 3dnc s ILE 8 Ca -0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 60.65 59.98 3dnc s ILE 8 Cb -0.02 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 3dnc s ILE 8 CO 0.00 0.43 0.03 -0.70 0.00 0.00 0.00 174.94 174.71 3dnc s GLU 9 N 1.01 3.78 0.34 2.79 2.12 0.14 -1.93 118.70 126.95 3dnc s GLU 9 Ca -0.06 -0.44 0.09 0.00 0.36 0.00 0.00 54.97 54.91 3dnc s GLU 9 Cb -0.15 -3.16 -0.05 0.00 0.26 0.00 0.00 34.13 31.03 3dnc s GLU 9 CO -0.02 0.11 0.02 0.95 -0.54 0.00 0.00 175.26 175.78 3dnc s THR 10 N 0.78 2.69 -0.39 -1.70 -4.23 0.34 0.38 115.64 113.52 3dnc s THR 10 Ca 0.02 -1.96 -0.16 0.00 -1.18 0.00 0.00 61.69 58.41 3dnc s THR 10 Cb -0.14 -2.80 0.01 0.00 1.34 0.00 0.00 72.50 70.91 3dnc s THR 10 CO 0.02 -0.21 0.39 -0.60 -0.54 0.00 0.00 174.62 173.68 3dnc s ARG 11 N -3.72 3.27 0.00 3.99 3.52 0.12 -1.32 118.95 124.81 3dnc s ARG 11 Ca 0.35 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 55.30 3dnc s ARG 11 Cb -0.01 -3.90 0.00 0.00 -1.56 0.00 0.00 34.95 29.48 3dnc s ARG 11 CO 0.20 -0.71 0.00 0.41 -0.81 0.00 0.00 175.30 174.39 3dnc n GLY 12 N 5.05 2.81 0.08 8.12 0.00 -0.61 -3.87 105.19 116.78 3dnc n GLY 12 Ca -0.08 -1.72 -0.15 0.00 0.00 0.00 0.00 46.02 44.06 3dnc n GLY 12 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dnc h PHE 13 N 0.00 0.15 -0.95 1.61 3.57 -1.93 -3.26 116.94 116.13 3dnc h PHE 13 Ca 0.00 -0.10 0.09 0.00 3.53 0.00 0.00 57.97 61.49 3dnc h PHE 13 Cb 0.00 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.66 3dnc h PHE 13 CO 0.00 1.02 0.61 -1.35 -2.23 0.00 0.00 178.31 176.36 3dnc h PRO 14 N -0.76 0.96 -0.19 6.41 0.11 -1.99 -1.73 132.00 134.81 3dnc h PRO 14 Ca -0.03 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.94 3dnc h PRO 14 Cb 1.10 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 3dnc h PRO 14 CO 0.04 0.64 -0.24 0.00 -0.21 0.00 0.00 178.00 178.22 3dnc h ALA 15 N 1.52 1.23 -0.28 -0.75 0.00 -1.90 -2.19 119.26 116.89 3dnc h ALA 15 Ca 0.44 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3dnc h ALA 15 Cb 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3dnc h ALA 15 CO -0.20 0.51 -0.29 -0.24 0.00 0.00 0.00 179.25 179.03 3dnc h VAL 16 N 0.32 1.28 -0.44 0.00 3.04 -1.38 -1.68 116.25 117.39 3dnc h VAL 16 Ca 0.05 -1.38 -0.14 0.00 -1.01 0.00 0.00 66.70 64.21 3dnc h VAL 16 Cb 0.60 1.38 -0.01 0.00 -2.01 0.00 0.00 31.29 31.26 3dnc h VAL 16 CO 0.04 0.44 -0.29 0.58 -1.01 0.00 0.00 177.57 177.33 3dnc h VAL 17 N 0.50 1.27 -0.48 1.51 2.07 -1.19 -0.34 116.25 119.58 3dnc h VAL 17 Ca 0.06 -1.46 -0.03 0.00 0.82 0.00 0.00 66.70 66.09 3dnc h VAL 17 Cb 0.76 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3dnc h VAL 17 CO 0.06 0.50 0.17 -0.08 0.02 0.00 0.00 177.57 178.24 3dnc h GLU 18 N 0.82 0.73 -0.46 1.57 4.57 -1.32 -0.32 114.58 120.17 3dnc h GLU 18 Ca 0.09 -0.15 0.01 0.00 -1.18 0.00 0.00 59.36 58.13 3dnc h GLU 18 Cb 0.88 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.33 3dnc h GLU 18 CO 0.08 0.68 0.30 0.00 -1.18 0.00 0.00 179.01 178.89 3dnc h ALA 19 N 1.02 0.59 -0.89 2.92 0.00 -1.15 0.16 119.26 121.91 3dnc h ALA 19 Ca 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3dnc h ALA 19 Cb 0.24 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3dnc h ALA 19 CO -0.01 0.01 0.52 0.00 0.00 0.00 0.00 179.25 179.78 3dnc h ALA 20 N 1.18 1.14 -0.14 0.00 0.00 -0.89 0.12 119.26 120.67 3dnc h ALA 20 Ca 0.17 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3dnc h ALA 20 Cb -0.05 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 3dnc h ALA 20 CO -0.05 0.62 -0.16 0.22 0.00 0.00 0.00 179.25 179.88 3dnc h ASP 21 N 1.24 0.38 0.02 0.00 3.58 -0.75 -2.98 116.42 117.91 3dnc h ASP 21 Ca 0.32 -0.49 -0.07 0.00 0.42 0.00 0.00 57.03 57.21 3dnc h ASP 21 Cb -0.02 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 3dnc h ASP 21 CO -0.06 0.80 -0.19 0.28 -2.88 0.00 0.00 179.24 177.19 3dnc h SER 22 N -0.03 0.30 -0.00 2.28 0.02 -0.57 -2.33 113.55 113.23 3dnc h SER 22 Ca 0.02 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3dnc h SER 22 Cb 0.70 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 3dnc h SER 22 CO 0.04 0.51 -0.00 0.24 -1.14 0.00 0.00 176.83 176.48 3dnc h MET 23 N 0.29 0.00 -0.20 3.45 2.86 -0.80 -2.82 114.93 117.71 3dnc h MET 23 Ca 0.05 -0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 3dnc h MET 23 Cb 0.51 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 3dnc h MET 23 CO 0.03 0.34 -0.21 -0.39 1.06 0.00 0.00 176.91 177.74 3dnc h VAL 24 N -0.33 1.24 0.00 -2.22 -1.51 -1.49 -2.59 116.25 109.34 3dnc h VAL 24 Ca 0.00 -1.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.38 3dnc h VAL 24 Cb 0.34 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 3dnc h VAL 24 CO 0.00 0.34 0.00 0.29 -1.23 0.00 0.00 177.57 176.97 3dnc n LYS 25 N -4.17 0.10 -0.00 5.19 5.02 -0.88 -3.85 118.16 119.56 3dnc n LYS 25 Ca -0.00 0.03 0.11 0.00 -2.02 0.00 0.00 58.31 56.42 3dnc n LYS 25 Cb 0.35 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.72 3dnc n LYS 25 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dnc n ALA 26 N -1.45 3.76 -3.77 7.82 0.00 -0.98 -5.03 120.51 120.87 3dnc n ALA 26 Ca 0.08 -0.56 -0.03 0.00 0.00 0.00 0.00 53.44 52.93 3dnc n ALA 26 Cb 0.30 -0.76 -0.01 0.00 0.00 0.00 0.00 19.45 18.98 3dnc n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dnc s ALA 27 N -3.27 -1.66 -1.16 0.00 0.00 -1.23 -4.57 121.76 109.88 3dnc s ALA 27 Ca -0.00 0.08 -0.21 0.00 0.00 0.00 0.00 51.96 51.83 3dnc s ALA 27 Cb 0.15 0.64 0.01 0.00 0.00 0.00 0.00 23.12 23.92 3dnc s ALA 27 CO 0.89 -1.05 1.77 0.50 0.00 0.00 0.00 175.76 177.87 3dnc s ARG 28 N -3.10 3.31 0.09 0.00 3.52 -1.26 -4.76 118.95 116.75 3dnc s ARG 28 Ca 0.14 -1.38 0.02 0.00 -0.13 0.00 0.00 55.73 54.37 3dnc s ARG 28 Cb -0.01 -5.36 -0.04 0.00 -1.56 0.00 0.00 34.95 27.97 3dnc s ARG 28 CO 0.03 -2.88 -0.06 0.14 -0.81 0.00 0.00 175.30 171.71 3dnc s VAL 29 N 7.04 0.66 -0.08 7.11 -7.23 -1.26 -4.38 120.40 122.26 3dnc s VAL 29 Ca 0.59 -1.91 0.05 0.00 -1.81 0.00 0.00 61.98 58.89 3dnc s VAL 29 Cb 0.01 -1.65 -0.00 0.00 0.56 0.00 0.00 36.38 35.29 3dnc s VAL 29 CO 0.05 -0.87 -0.23 0.42 -0.31 0.00 0.00 175.10 174.15 3dnc s THR 30 N -3.60 1.96 -0.05 5.32 -4.23 -0.66 -4.84 115.64 109.54 3dnc s THR 30 Ca 0.11 -0.99 -0.30 0.00 -1.18 0.00 0.00 61.69 59.33 3dnc s THR 30 Cb 0.05 -1.68 -0.05 0.00 1.34 0.00 0.00 72.50 72.16 3dnc s THR 30 CO -0.05 0.54 1.45 -0.22 -0.54 0.00 0.00 174.62 175.80 3dnc s LEU 31 N 0.12 4.29 -0.00 4.79 2.96 -1.26 -1.70 118.68 127.88 3dnc s LEU 31 Ca -0.11 2.05 0.00 0.00 -0.22 0.00 0.00 54.13 55.86 3dnc s LEU 31 Cb -0.16 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 3dnc s LEU 31 CO 0.06 -0.79 0.01 1.33 -1.32 0.00 0.00 176.35 175.64 3dnc n VAL 32 N 5.07 0.00 -3.81 1.68 0.24 -0.66 -4.99 118.33 115.86 3dnc n VAL 32 Ca 0.15 -0.02 -0.12 0.00 -2.04 0.00 0.00 64.34 62.30 3dnc n VAL 32 Cb 0.44 0.51 -0.11 0.00 -1.47 0.00 0.00 33.84 33.21 3dnc n VAL 32 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3dnc s GLY 33 N -2.01 -0.10 -0.11 7.63 0.00 -1.13 -4.64 107.32 106.97 3dnc s GLY 33 Ca -0.00 0.33 -0.04 0.00 0.00 0.00 0.00 44.72 45.01 3dnc s GLY 33 CO 0.01 0.20 0.08 -0.47 0.00 0.00 0.00 173.10 172.92 3dnc s TYR 34 N -0.64 0.14 -0.04 1.90 5.04 -1.26 -1.25 117.35 121.25 3dnc s TYR 34 Ca -0.07 -0.07 0.07 0.00 -2.44 0.00 0.00 57.07 54.56 3dnc s TYR 34 Cb -0.04 -0.60 -0.01 0.00 0.35 0.00 0.00 41.96 41.65 3dnc s TYR 34 CO 0.01 -0.37 -0.24 -2.00 -1.34 0.00 0.00 175.55 171.61 3dnc s GLU 35 N 2.15 2.25 -0.15 4.97 2.56 -0.10 -5.00 118.70 125.37 3dnc s GLU 35 Ca 0.03 -0.87 0.01 0.00 0.00 0.00 0.00 54.97 54.14 3dnc s GLU 35 Cb -0.14 -2.01 0.02 0.00 2.00 0.00 0.00 34.13 33.99 3dnc s GLU 35 CO -0.06 0.44 -0.19 0.15 -0.56 0.00 0.00 175.26 175.04 3dnc s LYS 36 N -0.34 2.79 0.00 4.30 1.02 -1.26 -1.43 119.74 124.82 3dnc s LYS 36 Ca 0.02 -0.76 0.03 0.00 0.02 0.00 0.00 55.97 55.28 3dnc s LYS 36 Cb -0.12 -2.37 0.07 0.00 -0.52 0.00 0.00 37.83 34.89 3dnc s LYS 36 CO 0.01 -0.14 0.97 0.44 -0.92 0.00 0.00 175.35 175.72 3dnc n ILE 37 N 4.43 0.81 0.00 2.17 -5.35 -1.13 -5.07 119.36 115.21 3dnc n ILE 37 Ca -0.20 -0.90 0.00 0.00 -0.27 0.00 0.00 62.75 61.38 3dnc n ILE 37 Cb 0.51 0.61 0.00 0.00 -1.74 0.00 0.00 39.64 39.01 3dnc n ILE 37 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dnc n GLY 38 N -0.17 0.02 2.33 3.28 0.00 -1.26 -4.94 105.19 104.45 3dnc n GLY 38 Ca 0.03 -1.80 -0.17 0.00 0.00 0.00 0.00 46.02 44.08 3dnc n GLY 38 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dnc n SER 39 N -1.00 -5.08 0.00 1.61 2.88 -1.26 -1.77 113.62 109.00 3dnc n SER 39 Ca 0.00 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 3dnc n SER 39 Cb 0.00 -4.17 0.00 0.00 -0.75 0.00 0.00 64.21 59.29 3dnc n SER 39 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dnc n GLY 40 N -1.02 0.33 3.63 0.46 0.00 -1.26 -4.97 105.19 102.36 3dnc n GLY 40 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 3dnc n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dnc s ARG 41 N -0.85 4.14 -0.01 1.61 0.52 -0.73 -1.57 118.95 122.06 3dnc s ARG 41 Ca 0.00 0.67 0.01 0.00 -0.52 0.00 0.00 55.73 55.88 3dnc s ARG 41 Cb 0.00 -3.64 0.01 0.00 0.52 0.00 0.00 34.95 31.84 3dnc s ARG 41 CO 0.00 -0.43 -0.02 0.54 0.02 0.00 0.00 175.30 175.41 3dnc s VAL 42 N 2.57 0.22 -0.04 3.52 0.11 -0.44 -2.85 120.40 123.49 3dnc s VAL 42 Ca 0.29 -0.04 0.07 0.00 -2.93 0.00 0.00 61.98 59.37 3dnc s VAL 42 Cb -0.15 -0.24 -0.01 0.00 -1.53 0.00 0.00 36.38 34.44 3dnc s VAL 42 CO 0.08 0.10 -0.25 -0.89 -3.33 0.00 0.00 175.10 170.82 3dnc s THR 43 N 0.41 2.00 0.02 5.04 2.01 -0.52 -0.50 115.64 124.10 3dnc s THR 43 Ca -0.04 -1.05 0.02 0.00 0.31 0.00 0.00 61.69 60.93 3dnc s THR 43 Cb -0.07 -1.68 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 3dnc s THR 43 CO -0.01 0.56 -0.01 0.68 -0.69 0.00 0.00 174.62 175.16 3dnc s VAL 44 N -0.31 4.07 -0.06 3.82 -7.23 -0.81 -0.92 120.40 118.96 3dnc s VAL 44 Ca 0.01 -0.70 0.03 0.00 -1.81 0.00 0.00 61.98 59.51 3dnc s VAL 44 Cb -0.12 -2.84 0.01 0.00 0.56 0.00 0.00 36.38 33.98 3dnc s VAL 44 CO 0.02 0.32 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.35 3dnc s ILE 45 N -1.13 1.28 0.18 -0.62 1.01 -0.38 -2.13 121.20 119.42 3dnc s ILE 45 Ca 0.21 -0.60 0.11 0.00 0.00 0.00 0.00 60.65 60.37 3dnc s ILE 45 Cb -0.12 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 3dnc s ILE 45 CO 0.12 0.38 -0.24 0.68 0.00 0.00 0.00 174.94 175.88 3dnc s VAL 46 N 0.37 2.30 0.11 2.92 -7.23 0.57 -1.65 120.40 117.78 3dnc s VAL 46 Ca -0.10 -1.97 0.10 0.00 -1.81 0.00 0.00 61.98 58.19 3dnc s VAL 46 Cb -0.14 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 3dnc s VAL 46 CO 0.03 -0.09 -0.24 -0.13 -0.31 0.00 0.00 175.10 174.36 3dnc s ARG 47 N -2.56 1.34 0.00 4.82 1.81 -0.69 -0.88 118.95 122.80 3dnc s ARG 47 Ca 0.19 -1.24 0.00 0.00 -1.72 0.00 0.00 55.73 52.96 3dnc s ARG 47 Cb -0.08 -1.70 0.00 0.00 -0.45 0.00 0.00 34.95 32.72 3dnc s ARG 47 CO 0.09 0.41 0.00 0.41 -0.68 0.00 0.00 175.30 175.53 3dnc n GLY 48 N 1.11 -1.00 3.76 -3.53 0.00 -0.75 -1.66 105.19 103.13 3dnc n GLY 48 Ca -0.18 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.43 3dnc n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dnc s ASP 49 N -4.00 5.92 0.24 1.61 1.11 -1.26 -1.90 116.67 118.39 3dnc s ASP 49 Ca 0.00 2.56 -0.07 0.00 0.18 0.00 0.00 52.55 55.22 3dnc s ASP 49 Cb 0.00 -2.62 0.24 0.00 1.07 0.00 0.00 42.92 41.61 3dnc s ASP 49 CO 0.00 -1.11 1.92 1.62 1.18 0.00 0.00 175.17 178.78 3dnc h VAL 50 N 1.91 1.23 -0.14 -1.27 3.04 -1.91 0.23 116.25 119.33 3dnc h VAL 50 Ca -0.50 -0.44 -0.11 0.00 -1.01 0.00 0.00 66.70 64.64 3dnc h VAL 50 Cb 1.26 -0.16 -0.01 0.00 -2.01 0.00 0.00 31.29 30.38 3dnc h VAL 50 CO 0.60 0.23 -0.40 0.77 -1.01 0.00 0.00 177.57 177.76 3dnc h SER 51 N 1.28 0.34 -0.20 3.17 4.64 -1.99 -0.42 113.55 120.36 3dnc h SER 51 Ca 0.35 -0.14 -0.10 0.00 -0.47 0.00 0.00 61.79 61.43 3dnc h SER 51 Cb -0.13 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 61.86 3dnc h SER 51 CO -0.08 0.71 -0.27 -0.33 -0.87 0.00 0.00 176.83 175.99 3dnc h GLU 52 N 0.27 0.55 -0.91 4.77 4.39 -1.66 -2.58 114.58 119.40 3dnc h GLU 52 Ca 0.03 -0.31 -0.00 0.00 0.34 0.00 0.00 59.36 59.41 3dnc h GLU 52 Cb 0.83 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.46 3dnc h GLU 52 CO 0.07 0.91 0.57 0.28 -1.16 0.00 0.00 179.01 179.67 3dnc h VAL 53 N 0.22 1.25 -0.56 3.13 2.07 -0.42 -0.56 116.25 121.38 3dnc h VAL 53 Ca 0.02 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.05 3dnc h VAL 53 Cb 0.84 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3dnc h VAL 53 CO 0.06 0.25 0.34 1.56 0.02 0.00 0.00 177.57 179.81 3dnc h GLN 54 N 1.26 0.67 -0.41 1.57 4.20 -1.06 0.28 115.11 121.61 3dnc h GLN 54 Ca 0.33 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.90 3dnc h GLN 54 Cb -0.08 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 3dnc h GLN 54 CO -0.06 0.44 -0.14 0.00 -0.67 0.00 0.00 178.83 178.40 3dnc h ALA 55 N 1.24 0.99 0.02 3.87 0.00 -0.99 -1.58 119.26 122.80 3dnc h ALA 55 Ca 0.22 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3dnc h ALA 55 Cb -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3dnc h ALA 55 CO -0.08 0.60 -0.01 0.77 0.00 0.00 0.00 179.25 180.53 3dnc h SER 56 N 0.67 -0.02 -0.93 0.00 0.02 -0.90 -2.69 113.55 109.71 3dnc h SER 56 Ca 0.11 -0.48 0.02 0.00 -0.84 0.00 0.00 61.79 60.60 3dnc h SER 56 Cb 0.62 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.12 3dnc h SER 56 CO 0.04 0.47 0.61 0.58 -1.14 0.00 0.00 176.83 177.40 3dnc h VAL 57 N -0.52 1.21 -0.26 2.27 2.07 -0.96 0.36 116.25 120.42 3dnc h VAL 57 Ca -0.00 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.13 3dnc h VAL 57 Cb 0.50 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 3dnc h VAL 57 CO 0.00 0.22 0.05 -1.28 0.02 0.00 0.00 177.57 176.59 3dnc h SER 58 N 1.23 0.00 0.27 0.57 0.87 -1.30 -1.24 113.55 113.95 3dnc h SER 58 Ca 0.35 0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.80 3dnc h SER 58 Cb -0.10 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 3dnc h SER 58 CO -0.09 0.04 -0.59 0.00 -0.53 0.00 0.00 176.83 175.66 3dnc h ALA 59 N 1.19 0.82 -0.58 6.23 0.00 -1.09 -3.11 119.26 122.71 3dnc h ALA 59 Ca 0.12 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3dnc h ALA 59 Cb 0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3dnc h ALA 59 CO -0.16 0.71 0.24 0.78 0.00 0.00 0.00 179.25 180.82 3dnc h GLY 60 N 1.35 0.93 0.86 0.00 0.00 0.06 -2.77 103.07 103.49 3dnc h GLY 60 Ca -0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 3dnc h GLY 60 CO 0.10 0.47 0.02 -2.22 0.00 0.00 0.00 176.54 174.91 3dnc h ILE 61 N 0.80 1.24 0.00 2.60 2.04 -1.21 -1.93 117.51 121.06 3dnc h ILE 61 Ca 0.20 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 3dnc h ILE 61 Cb 0.18 1.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3dnc h ILE 61 CO -0.02 0.26 -0.04 1.05 0.00 0.00 0.00 178.15 179.41 3dnc h GLU 62 N 0.22 0.00 0.07 2.37 4.11 -1.56 -1.70 114.58 118.10 3dnc h GLU 62 Ca 0.07 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.35 3dnc h GLU 62 Cb 0.37 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.64 3dnc h GLU 62 CO 0.01 0.04 -0.65 0.00 0.07 0.00 0.00 179.01 178.47 3dnc h ALA 63 N 1.96 -0.02 -0.53 1.06 0.00 -1.44 -3.22 119.26 117.08 3dnc h ALA 63 Ca -0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 54.91 54.23 3dnc h ALA 63 Cb 0.84 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3dnc h ALA 63 CO 0.00 0.33 0.10 0.00 0.00 0.00 0.00 179.25 179.68 3dnc h ALA 64 N 0.18 1.18 -0.16 0.00 0.00 -1.25 -2.11 119.26 117.11 3dnc h ALA 64 Ca -0.10 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.61 3dnc h ALA 64 Cb 1.44 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3dnc h ALA 64 CO 0.13 0.55 0.11 -0.91 0.00 0.00 0.00 179.25 179.13 3dnc h ASN 65 N 0.79 0.08 0.13 0.00 2.35 -1.42 -2.77 115.58 114.75 3dnc h ASN 65 Ca 0.17 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3dnc h ASN 65 Cb 0.34 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.69 3dnc h ASN 65 CO 0.00 0.06 -0.21 0.54 -1.65 0.00 0.00 177.43 176.17 3dnc n ARG 66 N -4.51 1.16 -2.05 0.81 1.74 -0.81 -4.79 116.66 108.22 3dnc n ARG 66 Ca 0.00 -0.75 -0.41 0.00 -0.77 0.00 0.00 57.85 55.93 3dnc n ARG 66 Cb 0.17 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.10 3dnc n ARG 66 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3dnc s VAL 67 N -2.35 2.65 -0.21 1.55 1.01 -1.04 -4.93 120.40 117.07 3dnc s VAL 67 Ca 0.27 0.61 -0.29 0.00 0.00 0.00 0.00 61.98 62.57 3dnc s VAL 67 Cb 0.20 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3dnc s VAL 67 CO 0.47 0.13 1.86 0.20 0.00 0.00 0.00 175.10 177.76 3dnc s ASN 68 N -0.16 6.03 -0.53 3.32 0.01 -1.26 -0.94 114.94 121.42 3dnc s ASN 68 Ca 0.53 1.75 0.00 0.00 -0.71 0.00 0.00 52.86 54.42 3dnc s ASN 68 Cb -0.41 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 38.73 3dnc s ASN 68 CO 0.50 -1.52 0.00 0.61 -1.51 0.00 0.00 177.10 175.18 3dnc n GLY 69 N 5.12 0.75 3.78 0.66 0.00 -1.26 -5.01 105.19 109.22 3dnc n GLY 69 Ca 0.23 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 3dnc n GLY 69 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dnc s GLY 70 N -2.94 2.87 -0.12 -0.02 0.00 -0.11 -4.96 107.32 102.04 3dnc s GLY 70 Ca 0.00 0.30 -0.03 0.00 0.00 0.00 0.00 44.72 44.98 3dnc s GLY 70 CO 0.00 0.78 0.07 1.85 0.00 0.00 0.00 173.10 175.80 3dnc s GLU 71 N -1.18 0.12 -0.07 2.90 2.12 -1.25 -4.82 118.70 116.51 3dnc s GLU 71 Ca 0.35 0.07 -0.29 0.00 0.36 0.00 0.00 54.97 55.46 3dnc s GLU 71 Cb -0.22 -1.30 -0.02 0.00 0.26 0.00 0.00 34.13 32.85 3dnc s GLU 71 CO 0.25 -0.51 0.99 0.08 -0.54 0.00 0.00 175.26 175.52 3dnc s VAL 72 N 2.11 4.82 -0.26 3.70 1.01 -1.26 0.11 120.40 130.63 3dnc s VAL 72 Ca 0.03 2.02 -0.16 0.00 0.00 0.00 0.00 61.98 63.87 3dnc s VAL 72 Cb -0.14 -4.30 -0.14 0.00 0.00 0.00 0.00 36.38 31.79 3dnc s VAL 72 CO -0.06 0.06 -0.19 0.18 0.00 0.00 0.00 175.10 175.09 3dnc n LEU 73 N 4.64 1.94 -3.66 3.92 4.77 0.16 -4.90 117.00 123.88 3dnc n LEU 73 Ca 0.08 0.36 -0.15 0.00 -0.03 0.00 0.00 56.01 56.26 3dnc n LEU 73 Cb 0.49 -0.86 -0.08 0.00 -2.33 0.00 0.00 43.42 40.64 3dnc n LEU 73 CO 0.52 0.50 0.22 -0.94 -1.33 0.00 0.00 177.39 176.35 3dnc s SER 74 N -7.31 -0.44 0.04 -1.43 1.04 -1.04 -5.02 113.70 99.55 3dnc s SER 74 Ca -0.36 0.51 0.01 0.00 0.48 0.00 0.00 55.95 56.60 3dnc s SER 74 Cb 0.12 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.76 3dnc s SER 74 CO 0.52 -0.46 -0.06 0.42 0.98 0.00 0.00 173.24 174.64 3dnc s THR 75 N -0.96 0.44 -0.16 2.02 -4.23 -1.26 0.26 115.64 111.76 3dnc s THR 75 Ca -0.10 -1.16 -0.29 0.00 -1.18 0.00 0.00 61.69 58.96 3dnc s THR 75 Cb -0.03 -0.68 0.11 0.00 1.34 0.00 0.00 72.50 73.24 3dnc s THR 75 CO 0.06 -0.49 0.91 -2.28 -0.54 0.00 0.00 174.62 172.28 3dnc s HIS 76 N -1.74 -0.48 -0.05 3.99 5.04 -0.79 -5.03 115.29 116.23 3dnc s HIS 76 Ca -0.08 0.89 0.03 0.00 -1.54 0.00 0.00 55.06 54.35 3dnc s HIS 76 Cb -0.08 0.42 0.01 0.00 0.04 0.00 0.00 32.58 32.97 3dnc s HIS 76 CO -0.01 -0.39 -0.12 0.42 -2.34 0.00 0.00 174.74 172.30 3dnc s ILE 77 N -0.87 1.07 -0.09 0.89 1.01 -1.26 -1.65 121.20 120.31 3dnc s ILE 77 Ca -0.03 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.18 3dnc s ILE 77 Cb -0.01 -0.97 -0.02 0.00 0.01 0.00 0.00 42.46 41.48 3dnc s ILE 77 CO 0.03 0.33 -0.17 -0.63 0.00 0.00 0.00 174.94 174.49 3dnc s ILE 78 N 0.50 2.71 -0.05 2.92 1.01 -0.20 -5.01 121.20 123.09 3dnc s ILE 78 Ca -0.11 -0.82 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 3dnc s ILE 78 Cb -0.14 -2.07 -0.31 0.00 0.01 0.00 0.00 42.46 39.95 3dnc s ILE 78 CO 0.03 0.56 0.74 0.00 0.00 0.00 0.00 174.94 176.27 3dnc h ALA 79 N 6.14 0.05 -2.22 9.38 0.00 -1.92 0.29 119.26 130.98 3dnc h ALA 79 Ca -0.33 -0.98 -0.58 0.00 0.00 0.00 0.00 54.91 53.03 3dnc h ALA 79 Cb 1.19 0.34 -0.39 0.00 0.00 0.00 0.00 17.79 18.93 3dnc h ALA 79 CO 0.51 0.76 -1.02 0.54 0.00 0.00 0.00 179.25 180.05 3dnc n ARG 80 N -3.84 0.51 -2.06 0.00 1.74 -1.26 -2.38 116.66 109.38 3dnc n ARG 80 Ca -0.21 -3.26 -0.36 0.00 -0.77 0.00 0.00 57.85 53.24 3dnc n ARG 80 Cb 0.97 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.93 3dnc n ARG 80 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3dnc s PRO 81 N -0.57 3.18 0.28 5.56 0.04 -1.26 -4.96 135.00 137.27 3dnc s PRO 81 Ca 0.34 1.85 -0.29 0.00 0.04 0.00 0.00 61.00 62.93 3dnc s PRO 81 Cb 0.10 -2.07 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 3dnc s PRO 81 CO -0.16 -1.04 1.34 -1.58 0.04 0.00 0.00 177.00 175.60 3dnc s HIS 82 N -1.57 3.11 -0.01 0.56 2.46 -1.26 -4.72 115.29 113.86 3dnc s HIS 82 Ca 0.74 1.27 0.28 0.00 0.47 0.00 0.00 55.06 57.82 3dnc s HIS 82 Cb -0.31 -3.69 1.46 0.00 -0.13 0.00 0.00 32.58 29.92 3dnc s HIS 82 CO 0.34 -2.04 1.86 1.05 -2.47 0.00 0.00 174.74 173.49 3dnc h GLU 83 N 4.32 0.00 -0.95 2.88 -0.00 -2.01 -1.66 114.58 117.15 3dnc h GLU 83 Ca -0.47 0.00 0.07 0.00 -0.00 0.00 0.00 59.36 58.96 3dnc h GLU 83 Cb 1.22 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 29.91 3dnc h GLU 83 CO 0.72 0.00 0.61 -0.97 -0.00 0.00 0.00 179.01 179.37 3dnc h ASN 84 N 0.00 0.96 -0.70 3.06 -0.00 -2.02 -2.35 115.58 114.53 3dnc h ASN 84 Ca 0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 56.30 56.29 3dnc h ASN 84 Cb 0.09 -0.20 -0.03 0.00 -0.00 0.00 0.00 38.32 38.18 3dnc h ASN 84 CO 0.00 0.61 0.38 -0.07 -0.00 0.00 0.00 177.43 178.35 3dnc h LEU 85 N 1.08 0.90 -1.80 0.34 4.07 -1.68 -3.25 115.31 114.97 3dnc h LEU 85 Ca 0.41 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.29 3dnc h LEU 85 Cb 0.20 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 3dnc h LEU 85 CO -0.16 0.73 0.12 -0.33 -1.08 0.00 0.00 178.44 177.73 3dnc h GLU 86 N 1.00 0.26 -0.04 1.13 5.08 -1.54 0.34 114.58 120.81 3dnc h GLU 86 Ca 0.25 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3dnc h GLU 86 Cb 0.05 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3dnc h GLU 86 CO -0.04 0.17 0.00 2.48 -1.00 0.00 0.00 179.01 180.63 3dnc n TYR 87 N -4.50 0.01 -0.07 4.33 0.18 -1.23 -4.41 117.16 111.47 3dnc n TYR 87 Ca -0.00 -0.01 -0.10 0.00 1.88 0.00 0.00 57.90 59.67 3dnc n TYR 87 Cb 0.08 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 38.98 3dnc n TYR 87 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 3dnc n VAL 88 N 1.10 0.75 -4.22 -3.48 0.31 -0.67 -5.03 118.33 107.09 3dnc n VAL 88 Ca 0.15 -0.27 -0.35 0.00 -0.01 0.00 0.00 64.34 63.87 3dnc n VAL 88 Cb 0.55 -1.12 -0.08 0.00 -0.91 0.00 0.00 33.84 32.28 3dnc n VAL 88 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3dnc s LEU 89 N -5.98 3.79 -1.25 7.52 1.43 0.11 -5.03 118.68 119.28 3dnc s LEU 89 Ca -0.18 0.19 -0.17 0.00 -1.03 0.00 0.00 54.13 52.94 3dnc s LEU 89 Cb 0.05 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 3dnc s LEU 89 CO 0.29 0.35 2.08 -0.81 0.23 0.00 0.00 176.35 178.49 3dnc n PRO 90 N 1.85 2.47 -0.09 1.29 -0.04 -1.26 -4.43 135.00 134.79 3dnc n PRO 90 Ca -0.17 -2.47 0.05 0.00 -0.04 0.00 0.00 63.50 60.86 3dnc n PRO 90 Cb 0.54 -3.24 0.10 0.00 -0.04 0.00 0.00 33.50 30.86 3dnc n PRO 90 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3dnc n ILE 91 N 5.61 0.61 -1.79 0.52 -5.35 -1.26 -4.72 119.36 112.98 3dnc n ILE 91 Ca 0.51 -0.80 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 3dnc n ILE 91 Cb 0.41 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 39.08 3dnc n ILE 91 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68